$ SET NOVERIFY %DCL-W-UNDSYM, undefined symbol - check validity and spelling %DCL-W-PARMDEL, invalid parameter delimiter - check use of special characters \$\ $ IF "BATCH" .EQS. "BATCH" THEN EXIT $SET DEF 2801 $SET VERIFY=NOIMAGE $ASSIGN SYS$INPUT FOR005 $ASSIGN SYS$OUTPUT FOR006 $ASSIGN W2801.dat FOR007 $RUN CRAY:WAVEF 99 1.500 10.000 0.500 0.000 28.01 0.29155785957778E+00 0.92650089416650E+01 RZERO=0.27012861760009E+01 146542.000 140865.000 0.0 0.0 0.0 0.0 1 d8 d8 d8 15106.8 0.0 0.0 0.0 0.0 0.0 0.0 2 d7 4s d7 4s d7 4s 82721.3 59371.5 0.0 0.0 0.0 0.0 0.0 8 d7 4d d7 4d d7 4d 207423.7 184530.1 0.0 0.0 0.0 0.0 0.0 J d6s2 d6s2 d6s2 197571.4 167785.0 0.0 HF 0.0 0.0 0.0 0.0 N d6 4s4d d6 4s4d d6 4s4d 331826.8 300826.8 FIXEDHF 31000.0 HF 0.0 0.0 0.0 0.0 R d6p2 d6p2 d6p2 317931.6 286931.6 FIXEDHF 31000.0 0.0 0.0 0.0 0.0 1 d7 4p d7 4p d7 4p 137946.2 114861.1 0.0 0.0 0.0 0.0 0.0 7 d7 4f d7 4f d7 4f 245872.6 222623.3 0.0 0.0 0.0 0.0 0.0 H d6 4s4p d6 4s4p d6 4s4p 250267.8 218669.9 0.0 HF 0.0 0.0 0.0 0.0 L d6 4s4f d6 4s4f d6 4s4f 374263.5 343263.5 FIXEDHF 31000.0 HF 0.0 0.0 0.0 0.0 N d5s2 4p d5 s2 4p d5 s2 4p 408236.0 377236.0 FIXEDHF 31000.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1 d9 d8 3d 6942.1 0.0 0.0 1 28.01 CONFIG=d9 d8 L=2 ELIM= 161648.800 N= 3 E= 6942.100 E= -1.40979126 Z=2.0000 L=2.0000 STEP=-.0500 NUM= 3200 NSAVE= 3200 IRREG=0 IFITER=99 NNODES= 0 NUMR 2661 NUMS 2661 NUML 3186 RS 27.013 RL 0.750 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 RMAX 1.33273057 RMIN -1.00000000 RSCALE 1.29391318 RMAX 1.29391318 RMIN -1.00000000 RSCALE 1.25622639 RMAX 1.25622639 RMIN -1.00000000 RSCALE 1.21963727 RMAX 1.21963727 RMIN -1.00000000 RSCALE 1.18411385 RMAX 1.18411385 RMIN -1.00000000 RSCALE 1.14962510 RMAX 1.14962510 RMIN -1.00000000 RSCALE 1.11614087 DEL -45.70125145 RSCALE 1.11614087 RMAX 1.12708143 RMIN -1.00000000 RSCALE 1.12161115 RMAX 1.12161115 RMIN -1.00000000 RSCALE 1.11887601 DEL -868.10688367 RSCALE 1.11887601 DEL -43.24661150 RSCALE 1.11598888 DEL -41.03365222 RSCALE 1.11583751 DEL -20.20430756 RSCALE 1.11303075 DEL -12.80002489 RSCALE 1.11030822 DEL -7.08473543 RSCALE 1.10560168 DEL -3.88494744 RSCALE 1.09976740 DEL -1.91457758 RSCALE 1.09268386 DEL -0.81276067 RSCALE 1.08580089 DEL -0.25802663 RSCALE 1.08072363 DEL -0.04832383 RSCALE 1.07836201 DEL -0.00350552 RSCALE 1.07781780 DEL -0.00005140 RSCALE 1.07777524 DEL -0.00000006 RSCALE 1.07777461 DEL 0.00000000 RSCALE 1.07777460 CNORM= 2.19162E+00 0.0500 1.522E-02 IX 0.1000 8.146E-02 I X 0.1500 1.894E-01 I X 0.2000 3.170E-01 I X 0.2500 4.462E-01 I X 0.3000 5.655E-01 I X 0.3500 6.690E-01 I X 0.4000 7.545E-01 I X 0.4500 8.218E-01 I X 0.5000 8.721E-01 I X 0.5500 9.073E-01 I X 0.6000 9.295E-01 I X 0.6500 9.406E-01 I X 0.7000 9.425E-01 I X 0.7500 9.371E-01 I X 0.8000 9.256E-01 I X 0.8500 9.094E-01 I X 0.9000 8.896E-01 I X 0.9500 8.671E-01 I X 1.0000 8.426E-01 I X 1.1000 7.900E-01 I X 1.2000 7.353E-01 I X 1.3000 6.810E-01 I X 1.4000 6.285E-01 I X 1.5000 5.786E-01 I X 1.6000 5.318E-01 I X 1.7000 4.882E-01 I X 1.8000 4.478E-01 I X 1.9000 4.107E-01 I X 2.0000 3.765E-01 I X 2.1000 3.451E-01 I X 2.2000 3.164E-01 I X 2.3000 2.900E-01 I X 2.4000 2.658E-01 I X 2.5000 2.437E-01 I X 2.6000 2.234E-01 I X 2.7000 2.048E-01 I X 2.8000 1.877E-01 I X 2.9000 1.721E-01 I X 3.0000 1.577E-01 I X 3.1000 1.445E-01 I X 3.2000 1.323E-01 I X 3.3000 1.212E-01 I X 3.4000 1.109E-01 I X 3.5000 1.015E-01 I X 3.6000 9.287E-02 I X 3.7000 8.493E-02 I X 3.8000 7.765E-02 I X 3.9000 7.096E-02 I X 4.0000 6.483E-02 I X 4.1000 5.921E-02 I X 4.2000 5.406E-02 I X 4.3000 4.934E-02 I X 4.4000 4.501E-02 I X 4.5000 4.105E-02 I X 4.6000 3.743E-02 I X 4.7000 3.411E-02 I X 4.8000 3.108E-02 I X 4.9000 2.831E-02 I X 5.0000 2.578E-02 I X 5.2000 2.135E-02 IX 5.4000 1.767E-02 IX 5.6000 1.460E-02 IX 5.8000 1.205E-02 IX 6.0000 9.935E-03 IX 0.0 0.0 0.0 0.0 2 d8 4d d8 4d 110717.4 93022.7 0.0 2 28.01 CONFIG=d8 4d d8 L=2 ELIM= 161648.800 N= 4 E= 110717.400 E= -0.46412109 Z=2.0000 L=2.0000 STEP=-.0500 NUM= 5700 NSAVE= 5700 IRREG=0 IFITER=99 NNODES= 1 NUMR 5161 NUMS 5161 NUML 5686 RS 27.013 RL 0.750 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 DEL -72.93429517 RSCALE 1.45631068 DEL -546.17453992 RSCALE 1.47058563 DEL -72.93378079 RSCALE 1.45631068 DEL -63.02925592 RSCALE 1.45411069 DEL -31.34472931 RSCALE 1.44011063 DEL -19.09186909 RSCALE 1.42626072 DEL -12.72183429 RSCALE 1.41241602 DEL -8.93722515 RSCALE 1.39870572 DEL -6.47825430 RSCALE 1.38512851 DEL -4.78079062 RSCALE 1.37168309 DEL -3.55640400 RSCALE 1.35836818 DEL -2.64331386 RSCALE 1.34518252 DEL -1.94433300 RSCALE 1.33212485 DEL -1.39790718 RSCALE 1.31919394 DEL -0.96335872 RSCALE 1.30638854 DEL -0.61285561 RSCALE 1.29370745 DEL -0.32681144 RSCALE 1.28114945 DEL -0.09109150 RSCALE 1.26871335 DEL -0.01064374 RSCALE 1.26390755 DEL -0.00040155 RSCALE 1.26327172 DEL -0.00000186 RSCALE 1.26324679 DEL 0.00000000 RSCALE 1.26324667 CNORM= 1.03365E+00 0.0500 3.046E-03 X 0.1000 1.607E-02 I X 0.1500 3.658E-02 I X 0.2000 5.952E-02 I X 0.2500 8.092E-02 I X 0.3000 9.842E-02 I X 0.3500 1.109E-01 I X 0.4000 1.183E-01 I X 0.4500 1.207E-01 I X 0.5000 1.188E-01 I X 0.5500 1.131E-01 I X 0.6000 1.044E-01 I X 0.6500 9.332E-02 I X 0.7000 8.033E-02 I X 0.7500 6.594E-02 I X 0.8000 5.055E-02 I X 0.8500 3.449E-02 I X 0.9000 1.803E-02 I X 0.9500 1.391E-03 X 1.0000 -1.527E-02 X I 1.1000 -4.813E-02 X I 1.2000 -7.986E-02 X I 1.3000 -1.101E-01 X I 1.4000 -1.386E-01 X I 1.5000 -1.655E-01 X I 1.6000 -1.907E-01 X I 1.7000 -2.143E-01 X I 1.8000 -2.365E-01 X I 1.9000 -2.573E-01 X I 2.0000 -2.768E-01 X I 2.1000 -2.952E-01 X I 2.2000 -3.124E-01 X I 2.3000 -3.287E-01 X I 2.4000 -3.439E-01 X I 2.5000 -3.582E-01 X I 2.6000 -3.715E-01 X I 2.7000 -3.840E-01 X I 2.8000 -3.955E-01 X I 2.9000 -4.062E-01 X I 3.0000 -4.160E-01 X I 3.1000 -4.249E-01 X I 3.2000 -4.330E-01 X I 3.3000 -4.402E-01 X I 3.4000 -4.465E-01 X I 3.5000 -4.519E-01 X I 3.6000 -4.565E-01 X I 3.7000 -4.603E-01 X I 3.8000 -4.632E-01 X I 3.9000 -4.654E-01 X I 4.0000 -4.667E-01 X I 4.1000 -4.673E-01 X I 4.2000 -4.672E-01 X I 4.3000 -4.664E-01 X I 4.4000 -4.649E-01 X I 4.5000 -4.629E-01 X I 4.6000 -4.602E-01 X I 4.7000 -4.569E-01 X I 4.8000 -4.531E-01 X I 4.9000 -4.489E-01 X I 5.0000 -4.441E-01 X I 5.2000 -4.334E-01 X I 5.4000 -4.213E-01 X I 5.6000 -4.079E-01 X I 5.8000 -3.936E-01 X I 6.0000 -3.786E-01 X I 6.2000 -3.630E-01 X I 6.4000 -3.470E-01 X I 6.6000 -3.309E-01 X I 6.8000 -3.147E-01 X I 7.0000 -2.985E-01 X I 7.2000 -2.826E-01 X I 7.4000 -2.669E-01 X I 7.6000 -2.515E-01 X I 7.8000 -2.366E-01 X I 8.0000 -2.221E-01 X I 8.2000 -2.082E-01 X I 8.4000 -1.948E-01 X I 8.6000 -1.820E-01 X I 8.8000 -1.697E-01 X I 9.0000 -1.581E-01 X I 9.2000 -1.470E-01 X I 9.4000 -1.366E-01 X I 9.6000 -1.267E-01 X I 9.8000 -1.174E-01 X I 10.0000 -1.086E-01 X I 10.2500 -9.841E-02 X I 10.5000 -8.902E-02 X I 10.7500 -8.039E-02 X I 11.0000 -7.249E-02 X I 11.2500 -6.527E-02 X I 11.5000 -5.868E-02 X I 11.7500 -5.269E-02 X I 12.0000 -4.724E-02 X I 12.2500 -4.231E-02 X I 12.5000 -3.785E-02 X I 12.7500 -3.381E-02 X I 13.0000 -3.018E-02 X I 13.2500 -2.691E-02 X I 13.5000 -2.396E-02 X I 13.7500 -2.132E-02 X I 14.0000 -1.895E-02 X I 14.2500 -1.683E-02 X I 14.5000 -1.493E-02 X I 14.7500 -1.324E-02 X I 15.0000 -1.173E-02 XI 15.5000 -9.178E-03 XI 16.0000 -7.162E-03 XI 16.5000 -5.573E-03 XI 0.0 0.0 0.0 0.0 3 d8 5d d8 5d 131337.5 114245.3 17000.0 3 28.01 CONFIG=d8 5d d8 L=2 ELIM= 161648.800 N= 5 E= 131337.500 E= -0.27621690 Z=2.0000 L=2.0000 STEP=-.0500 NUM= 7600 NSAVE= 7600 IRREG=0 IFITER=99 NNODES= 2 NUMR 7061 NUMS 7061 NUML 7586 RS 27.013 RL 0.750 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 DEL -38.73759328 RSCALE 1.45631068 RMAX 1.47058563 RMIN -1.00000000 RSCALE 1.46344816 DEL -134.81050325 RSCALE 1.46344816 DEL -29.35812257 RSCALE 1.45343278 DEL -23.49568237 RSCALE 1.45064448 DEL -12.11836025 RSCALE 1.43946944 DEL -7.21263795 RSCALE 1.42756654 DEL -4.33066995 RSCALE 1.41370917 DEL -2.69588966 RSCALE 1.39998632 DEL -1.65641707 RSCALE 1.38639667 DEL -0.94605638 RSCALE 1.37293894 DEL -0.43601331 RSCALE 1.35961184 DEL -0.10259950 RSCALE 1.34821910 DEL -0.01453083 RSCALE 1.34471327 DEL -0.00057215 RSCALE 1.34413483 DEL -0.00000334 RSCALE 1.34411112 DEL 0.00000000 RSCALE 1.34411098 CNORM= 1.00634E+00 0.0500 2.887E-03 X 0.1000 1.516E-02 I X 0.1500 3.423E-02 I X 0.2000 5.511E-02 I X 0.2500 7.395E-02 I X 0.3000 8.851E-02 I X 0.3500 9.787E-02 I X 0.4000 1.019E-01 I X 0.4500 1.011E-01 I X 0.5000 9.604E-02 I X 0.5500 8.750E-02 I X 0.6000 7.620E-02 I X 0.6500 6.281E-02 I X 0.7000 4.792E-02 I X 0.7500 3.202E-02 I X 0.8000 1.554E-02 I X 0.8500 -1.194E-03 X 0.9000 -1.792E-02 X I 0.9500 -3.442E-02 X I 1.0000 -5.055E-02 X I 1.1000 -8.123E-02 X I 1.2000 -1.094E-01 X I 1.3000 -1.347E-01 X I 1.4000 -1.573E-01 X I 1.5000 -1.771E-01 X I 1.6000 -1.943E-01 X I 1.7000 -2.091E-01 X I 1.8000 -2.217E-01 X I 1.9000 -2.322E-01 X I 2.0000 -2.408E-01 X I 2.1000 -2.476E-01 X I 2.2000 -2.528E-01 X I 2.3000 -2.565E-01 X I 2.4000 -2.587E-01 X I 2.5000 -2.596E-01 X I 2.6000 -2.592E-01 X I 2.7000 -2.576E-01 X I 2.8000 -2.548E-01 X I 2.9000 -2.510E-01 X I 3.0000 -2.460E-01 X I 3.1000 -2.401E-01 X I 3.2000 -2.332E-01 X I 3.3000 -2.253E-01 X I 3.4000 -2.166E-01 X I 3.5000 -2.071E-01 X I 3.6000 -1.968E-01 X I 3.7000 -1.858E-01 X I 3.8000 -1.740E-01 X I 3.9000 -1.617E-01 X I 4.0000 -1.488E-01 X I 4.1000 -1.353E-01 X I 4.2000 -1.214E-01 X I 4.3000 -1.071E-01 X I 4.4000 -9.243E-02 X I 4.5000 -7.746E-02 X I 4.6000 -6.225E-02 X I 4.7000 -4.684E-02 X I 4.8000 -3.130E-02 X I 4.9000 -1.565E-02 X I 5.0000 3.184E-05 X 5.2000 3.136E-02 I X 5.4000 6.235E-02 I X 5.6000 9.270E-02 I X 5.8000 1.221E-01 I X 6.0000 1.504E-01 I X 6.2000 1.774E-01 I X 6.4000 2.028E-01 I X 6.6000 2.266E-01 I X 6.8000 2.487E-01 I X 7.0000 2.689E-01 I X 7.2000 2.873E-01 I X 7.4000 3.039E-01 I X 7.6000 3.185E-01 I X 7.8000 3.313E-01 I X 8.0000 3.422E-01 I X 8.2000 3.514E-01 I X 8.4000 3.588E-01 I X 8.6000 3.646E-01 I X 8.8000 3.689E-01 I X 9.0000 3.716E-01 I X 9.2000 3.730E-01 I X 9.4000 3.730E-01 I X 9.6000 3.718E-01 I X 9.8000 3.695E-01 I X 10.0000 3.662E-01 I X 10.2500 3.607E-01 I X 10.5000 3.540E-01 I X 10.7500 3.461E-01 I X 11.0000 3.373E-01 I X 11.2500 3.277E-01 I X 11.5000 3.174E-01 I X 11.7500 3.067E-01 I X 12.0000 2.955E-01 I X 12.2500 2.840E-01 I X 12.5000 2.723E-01 I X 12.7500 2.606E-01 I X 13.0000 2.488E-01 I X 13.2500 2.372E-01 I X 13.5000 2.256E-01 I X 13.7500 2.142E-01 I X 14.0000 2.030E-01 I X 14.2500 1.921E-01 I X 14.5000 1.815E-01 I X 14.7500 1.713E-01 I X 15.0000 1.614E-01 I X 15.5000 1.426E-01 I X 16.0000 1.254E-01 I X 16.5000 1.098E-01 I X 17.0000 9.567E-02 I X 17.5000 8.303E-02 I X 18.0000 7.179E-02 I X 18.5000 6.184E-02 I X 19.0000 5.310E-02 I X 19.5000 4.544E-02 I X 20.0000 3.878E-02 I X 20.5000 3.299E-02 I X 21.0000 2.800E-02 I X 21.5000 2.370E-02 I X 22.0000 2.001E-02 I X 22.5000 1.686E-02 I X 23.0000 1.418E-02 I X 23.5000 1.189E-02 I X 24.0000 9.957E-03 IX 24.5000 8.321E-03 IX 25.0000 6.942E-03 IX 25.5000 5.781E-03 IX 26.0000 4.806E-03 IX 26.5000 3.989E-03 IX 0.0 0.0 0.0 0.0 4 d8 6d d8 6d 140632.0 123803.3 17000.0 4 28.01 CONFIG=d8 6d d8 L=2 ELIM= 161648.800 N= 6 E= 140632.000 E= -0.19151918 Z=2.0000 L=2.0000 STEP=-.0500 NUM= 9300 NSAVE= 9300 IRREG=0 IFITER=99 NNODES= 3 NUMR 8761 NUMS 8761 NUML 9286 RS 27.013 RL 0.750 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.50000000 RMIN 1.45631068 RSCALE 1.47815534 RMAX 1.47815534 RMIN 1.45631068 RSCALE 1.46723301 DEL 0.86944917 RSCALE 1.46723301 RMAX 1.47815534 RMIN 1.46177184 RSCALE 1.47610033 RMAX 1.47610033 RMIN 1.46177184 RSCALE 1.46893609 RMAX 1.46893609 RMIN 1.46177184 RSCALE 1.46535397 DEL -0.94038044 RSCALE 1.46535397 DEL 0.32269824 RSCALE 1.46633031 DEL 0.09859316 RSCALE 1.46608087 DEL -0.01559708 RSCALE 1.46597113 DEL 0.00064600 RSCALE 1.46598612 DEL 0.00000374 RSCALE 1.46598552 DEL -0.00000015 RSCALE 1.46598552 DEL -0.00000008 RSCALE 1.46598552 DEL 0.00000005 RSCALE 1.46598552 DEL -0.00000003 RSCALE 1.46598552 DEL -0.00000002 RSCALE 1.46598552 DEL 0.00000000 RSCALE 1.46598552 CNORM= 9.97184E-01 0.0500 2.615E-03 X 0.1000 1.363E-02 I X 0.1500 3.047E-02 I X 0.2000 4.838E-02 I X 0.2500 6.377E-02 I X 0.3000 7.466E-02 I X 0.3500 8.032E-02 I X 0.4000 8.086E-02 I X 0.4500 7.682E-02 I X 0.5000 6.899E-02 I X 0.5500 5.819E-02 I X 0.6000 4.519E-02 I X 0.6500 3.070E-02 I X 0.7000 1.532E-02 I X 0.7500 -4.500E-04 X 0.8000 -1.622E-02 X I 0.8500 -3.168E-02 X I 0.9000 -4.659E-02 X I 0.9500 -6.077E-02 X I 1.0000 -7.411E-02 X I 1.1000 -9.798E-02 X I 1.2000 -1.179E-01 X I 1.3000 -1.339E-01 X I 1.4000 -1.462E-01 X I 1.5000 -1.551E-01 X I 1.6000 -1.609E-01 X I 1.7000 -1.640E-01 X I 1.8000 -1.647E-01 X I 1.9000 -1.633E-01 X I 2.0000 -1.600E-01 X I 2.1000 -1.551E-01 X I 2.2000 -1.488E-01 X I 2.3000 -1.413E-01 X I 2.4000 -1.326E-01 X I 2.5000 -1.230E-01 X I 2.6000 -1.126E-01 X I 2.7000 -1.015E-01 X I 2.8000 -8.980E-02 X I 2.9000 -7.758E-02 X I 3.0000 -6.493E-02 X I 3.1000 -5.194E-02 X I 3.2000 -3.868E-02 X I 3.3000 -2.524E-02 X I 3.4000 -1.167E-02 X I 3.5000 1.960E-03 X 3.6000 1.558E-02 I X 3.7000 2.912E-02 I X 3.8000 4.254E-02 I X 3.9000 5.576E-02 I X 4.0000 6.875E-02 I X 4.1000 8.143E-02 I X 4.2000 9.376E-02 I X 4.3000 1.057E-01 I X 4.4000 1.172E-01 I X 4.5000 1.282E-01 I X 4.6000 1.387E-01 I X 4.7000 1.487E-01 I X 4.8000 1.581E-01 I X 4.9000 1.669E-01 I X 5.0000 1.750E-01 I X 5.2000 1.894E-01 I X 5.4000 2.011E-01 I X 5.6000 2.100E-01 I X 5.8000 2.161E-01 I X 6.0000 2.195E-01 I X 6.2000 2.202E-01 I X 6.4000 2.182E-01 I X 6.6000 2.138E-01 I X 6.8000 2.070E-01 I X 7.0000 1.980E-01 I X 7.2000 1.869E-01 I X 7.4000 1.740E-01 I X 7.6000 1.594E-01 I X 7.8000 1.433E-01 I X 8.0000 1.260E-01 I X 8.2000 1.076E-01 I X 8.4000 8.827E-02 I X 8.6000 6.826E-02 I X 8.8000 4.772E-02 I X 9.0000 2.682E-02 I X 9.2000 5.734E-03 IX 9.4000 -1.539E-02 X I 9.6000 -3.642E-02 X I 9.8000 -5.721E-02 X I 10.0000 -7.766E-02 X I 10.2500 -1.025E-01 X I 10.5000 -1.265E-01 X I 10.7500 -1.495E-01 X I 11.0000 -1.712E-01 X I 11.2500 -1.916E-01 X I 11.5000 -2.106E-01 X I 11.7500 -2.282E-01 X I 12.0000 -2.442E-01 X I 12.2500 -2.588E-01 X I 12.5000 -2.718E-01 X I 12.7500 -2.832E-01 X I 13.0000 -2.932E-01 X I 13.2500 -3.017E-01 X I 13.5000 -3.087E-01 X I 13.7500 -3.144E-01 X I 14.0000 -3.187E-01 X I 14.2500 -3.218E-01 X I 14.5000 -3.236E-01 X I 14.7500 -3.244E-01 X I 15.0000 -3.240E-01 X I 15.5000 -3.205E-01 X I 16.0000 -3.137E-01 X I 16.5000 -3.041E-01 X I 17.0000 -2.923E-01 X I 17.5000 -2.788E-01 X I 18.0000 -2.641E-01 X I 18.5000 -2.486E-01 X I 19.0000 -2.327E-01 X I 19.5000 -2.166E-01 X I 20.0000 -2.006E-01 X I 20.5000 -1.849E-01 X I 21.0000 -1.697E-01 X I 21.5000 -1.552E-01 X I 22.0000 -1.413E-01 X I 22.5000 -1.283E-01 X I 23.0000 -1.160E-01 X I 23.5000 -1.046E-01 X I 24.0000 -9.406E-02 X I 24.5000 -8.433E-02 X I 25.0000 -7.540E-02 X I 25.5000 -6.724E-02 X I 26.0000 -5.982E-02 X I 26.5000 -5.310E-02 X I 27.0000 -4.703E-02 X I 27.5000 -4.156E-02 X I 28.0000 -3.666E-02 X I 28.5000 -3.227E-02 X I 29.0000 -2.836E-02 X I 29.5000 -2.488E-02 X I 30.0000 -2.178E-02 X I 31.0000 -1.662E-02 X I 32.0000 -1.261E-02 X I 33.0000 -9.511E-03 X I 34.0000 -7.136E-03 XI 35.0000 -5.328E-03 XI 36.0000 -3.961E-03 XI 0.0 0.0 0.0 0.0 5 d8 7d d8 7d 145812.9 128983.1 17000.0 5 28.01 CONFIG=d8 7d d8 L=2 ELIM= 161648.800 N= 7 E= 145812.900 E= -0.14430735 Z=2.0000 L=2.0000 STEP=-.0500 NUM= 10800 NSAVE=10800 IRREG=0 IFITER=99 NNODES= 4 NUMR 10261 NUMS 10261 NUML 10786 RS 27.013 RL 0.750 DEL -12.14832319 RSCALE 1.50000000 DEL -8.14264003 RSCALE 1.51470320 DEL -5.86923277 RSCALE 1.52955052 DEL -4.40429952 RSCALE 1.54454338 DEL -3.38175071 RSCALE 1.55968321 DEL -2.62751223 RSCALE 1.57497143 DEL -2.04822803 RSCALE 1.59040951 DEL -1.58933404 RSCALE 1.60599892 DEL -1.21680451 RSCALE 1.62174113 DEL -0.90831920 RSCALE 1.63763766 DEL -0.64862766 RSCALE 1.65369000 DEL -0.42695470 RSCALE 1.66989969 DEL -0.23547017 RSCALE 1.68626827 DEL -0.06834626 RSCALE 1.70279730 DEL -0.00637183 RSCALE 1.70955694 DEL -0.00018928 RSCALE 1.71025192 DEL -0.00000054 RSCALE 1.71027320 DEL 0.00000000 RSCALE 1.71027326 CNORM= 9.96540E-01 0.0500 1.980E-03 X 0.1000 1.021E-02 I X 0.1500 2.242E-02 I X 0.2000 3.476E-02 I X 0.2500 4.442E-02 I X 0.3000 4.997E-02 I X 0.3500 5.107E-02 I X 0.4000 4.805E-02 I X 0.4500 4.160E-02 I X 0.5000 3.253E-02 I X 0.5500 2.166E-02 I X 0.6000 9.745E-03 I X 0.6500 -2.599E-03 X 0.7000 -1.486E-02 X I 0.7500 -2.663E-02 X I 0.8000 -3.762E-02 X I 0.8500 -4.762E-02 X I 0.9000 -5.651E-02 X I 0.9500 -6.420E-02 X I 1.0000 -7.066E-02 X I 1.1000 -7.996E-02 X I 1.2000 -8.472E-02 X I 1.3000 -8.546E-02 X I 1.4000 -8.279E-02 X I 1.5000 -7.731E-02 X I 1.6000 -6.958E-02 X I 1.7000 -6.010E-02 X I 1.8000 -4.931E-02 X I 1.9000 -3.758E-02 X I 2.0000 -2.520E-02 X I 2.1000 -1.244E-02 X I 2.2000 4.877E-04 X 2.3000 1.341E-02 I X 2.4000 2.619E-02 I X 2.5000 3.871E-02 I X 2.6000 5.087E-02 I X 2.7000 6.259E-02 I X 2.8000 7.380E-02 I X 2.9000 8.446E-02 I X 3.0000 9.452E-02 I X 3.1000 1.039E-01 I X 3.2000 1.127E-01 I X 3.3000 1.207E-01 I X 3.4000 1.281E-01 I X 3.5000 1.347E-01 I X 3.6000 1.406E-01 I X 3.7000 1.457E-01 I X 3.8000 1.500E-01 I X 3.9000 1.536E-01 I X 4.0000 1.564E-01 I X 4.1000 1.585E-01 I X 4.2000 1.598E-01 I X 4.3000 1.603E-01 I X 4.4000 1.601E-01 I X 4.5000 1.592E-01 I X 4.6000 1.576E-01 I X 4.7000 1.552E-01 I X 4.8000 1.522E-01 I X 4.9000 1.486E-01 I X 5.0000 1.443E-01 I X 5.2000 1.339E-01 I X 5.4000 1.214E-01 I X 5.6000 1.070E-01 I X 5.8000 9.100E-02 I X 6.0000 7.364E-02 I X 6.2000 5.524E-02 I X 6.4000 3.608E-02 I X 6.6000 1.643E-02 I X 6.8000 -3.435E-03 XI 7.0000 -2.326E-02 X I 7.2000 -4.279E-02 X I 7.4000 -6.183E-02 X I 7.6000 -8.016E-02 X I 7.8000 -9.759E-02 X I 8.0000 -1.140E-01 X I 8.2000 -1.292E-01 X I 8.4000 -1.431E-01 X I 8.6000 -1.555E-01 X I 8.8000 -1.665E-01 X I 9.0000 -1.759E-01 X I 9.2000 -1.838E-01 X I 9.4000 -1.900E-01 X I 9.6000 -1.946E-01 X I 9.8000 -1.976E-01 X I 10.0000 -1.990E-01 X I 10.2500 -1.986E-01 X I 10.5000 -1.958E-01 X I 10.7500 -1.908E-01 X I 11.0000 -1.837E-01 X I 11.2500 -1.747E-01 X I 11.5000 -1.639E-01 X I 11.7500 -1.514E-01 X I 12.0000 -1.375E-01 X I 12.2500 -1.224E-01 X I 12.5000 -1.061E-01 X I 12.7500 -8.896E-02 X I 13.0000 -7.106E-02 X I 13.2500 -5.260E-02 X I 13.5000 -3.373E-02 X I 13.7500 -1.461E-02 X I 14.0000 4.621E-03 IX 14.2500 2.382E-02 I X 14.5000 4.286E-02 I X 14.7500 6.162E-02 I X 15.0000 8.000E-02 I X 15.5000 1.152E-01 I X 16.0000 1.479E-01 I X 16.5000 1.776E-01 I X 17.0000 2.039E-01 I X 17.5000 2.267E-01 I X 18.0000 2.457E-01 I X 18.5000 2.612E-01 I X 19.0000 2.731E-01 I X 19.5000 2.816E-01 I X 20.0000 2.869E-01 I X 20.5000 2.893E-01 I X 21.0000 2.891E-01 I X 21.5000 2.865E-01 I X 22.0000 2.819E-01 I X 22.5000 2.755E-01 I X 23.0000 2.676E-01 I X 23.5000 2.585E-01 I X 24.0000 2.484E-01 I X 24.5000 2.376E-01 I X 25.0000 2.262E-01 I X 25.5000 2.145E-01 I X 26.0000 2.026E-01 I X 26.5000 1.907E-01 I X 27.0000 1.788E-01 I X 27.5000 1.672E-01 I X 28.0000 1.558E-01 I X 28.5000 1.448E-01 I X 29.0000 1.342E-01 I X 29.5000 1.241E-01 I X 30.0000 1.144E-01 I X 31.0000 9.661E-02 I X 32.0000 8.087E-02 I X 33.0000 6.717E-02 I X 34.0000 5.538E-02 I X 35.0000 4.536E-02 I X 36.0000 3.692E-02 I X 37.0000 2.988E-02 I X 38.0000 2.405E-02 I X 39.0000 1.926E-02 I X 40.0000 1.535E-02 I X 41.0000 1.218E-02 I X 42.0000 9.623E-03 I X 43.0000 7.574E-03 IX 44.0000 5.938E-03 IX 45.0000 4.640E-03 IX 46.0000 3.613E-03 IX 0.0 0.0 0.0 0.0 6 d8 8d d8 8d 148958.4 132111.1 17000.0 6 28.01 CONFIG=d8 8d d8 L=2 ELIM= 161648.800 N= 8 E= 148958.400 E= -0.11564344 Z=2.0000 L=2.0000 STEP=-.0500 NUM= 12300 NSAVE=12300 IRREG=0 IFITER=99 NNODES= 5 NUMR 11761 NUMS 11761 NUML 12286 RS 27.013 RL 0.750 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 RMAX -1.00000000 RMIN 1.54500000 RSCALE 1.59135000 RMAX -1.00000000 RMIN 1.59135000 RSCALE 1.63909050 RMAX -1.00000000 RMIN 1.63909050 RSCALE 1.68826322 RMAX -1.00000000 RMIN 1.68826322 RSCALE 1.73891111 DEL -18.28880545 RSCALE 1.73891111 DEL -12.69503353 RSCALE 1.75595615 DEL -9.38282628 RSCALE 1.77316827 DEL -7.20675603 RSCALE 1.79054910 DEL -5.67636245 RSCALE 1.80810030 DEL -4.54687199 RSCALE 1.82582355 DEL -3.68266498 RSCALE 1.84372051 DEL -3.00264789 RSCALE 1.86179291 DEL -2.45542591 RSCALE 1.88004245 DEL -2.00689533 RSCALE 1.89847088 DEL -1.63356800 RSCALE 1.91707995 DEL -1.31876107 RSCALE 1.93587142 DEL -1.05031422 RSCALE 1.95484709 DEL -0.81916540 RSCALE 1.97400876 DEL -0.61843114 RSCALE 1.99335826 DEL -0.44279488 RSCALE 2.01289743 DEL -0.28808951 RSCALE 2.03262812 DEL -0.15100601 RSCALE 2.05255221 DEL -0.02888597 RSCALE 2.07267160 DEL -0.00210385 RSCALE 2.07743059 DEL -0.00003175 RSCALE 2.07780443 DEL -0.00000004 RSCALE 2.07781016 DEL 0.00000000 RSCALE 2.07781017 CNORM= 9.96604E-01 0.0500 2.030E-03 X 0.1000 1.034E-02 I X 0.1500 2.225E-02 I X 0.2000 3.353E-02 I X 0.2500 4.123E-02 I X 0.3000 4.405E-02 I X 0.3500 4.194E-02 I X 0.4000 3.558E-02 I X 0.4500 2.601E-02 I X 0.5000 1.437E-02 I X 0.5500 1.702E-03 X 0.6000 -1.108E-02 X I 0.6500 -2.327E-02 X I 0.7000 -3.434E-02 X I 0.7500 -4.392E-02 X I 0.8000 -5.178E-02 X I 0.8500 -5.782E-02 X I 0.9000 -6.203E-02 X I 0.9500 -6.445E-02 X I 1.0000 -6.518E-02 X I 1.1000 -6.214E-02 X I 1.2000 -5.415E-02 X I 1.3000 -4.250E-02 X I 1.4000 -2.840E-02 X I 1.5000 -1.289E-02 X I 1.6000 3.183E-03 IX 1.7000 1.915E-02 I X 1.8000 3.452E-02 I X 1.9000 4.890E-02 I X 2.0000 6.206E-02 I X 2.1000 7.382E-02 I X 2.2000 8.409E-02 I X 2.3000 9.283E-02 I X 2.4000 1.001E-01 I X 2.5000 1.058E-01 I X 2.6000 1.100E-01 I X 2.7000 1.129E-01 I X 2.8000 1.145E-01 I X 2.9000 1.149E-01 I X 3.0000 1.141E-01 I X 3.1000 1.122E-01 I X 3.2000 1.094E-01 I X 3.3000 1.056E-01 I X 3.4000 1.011E-01 I X 3.5000 9.576E-02 I X 3.6000 8.978E-02 I X 3.7000 8.319E-02 I X 3.8000 7.608E-02 I X 3.9000 6.849E-02 I X 4.0000 6.050E-02 I X 4.1000 5.216E-02 I X 4.2000 4.354E-02 I X 4.3000 3.467E-02 I X 4.4000 2.563E-02 I X 4.5000 1.646E-02 I X 4.6000 7.202E-03 IX 4.7000 -2.089E-03 X 4.8000 -1.137E-02 X I 4.9000 -2.060E-02 X I 5.0000 -2.973E-02 X I 5.2000 -4.756E-02 X I 5.4000 -6.457E-02 X I 5.6000 -8.050E-02 X I 5.8000 -9.513E-02 X I 6.0000 -1.082E-01 X I 6.2000 -1.197E-01 X I 6.4000 -1.294E-01 X I 6.6000 -1.372E-01 X I 6.8000 -1.430E-01 X I 7.0000 -1.469E-01 X I 7.2000 -1.489E-01 X I 7.4000 -1.489E-01 X I 7.6000 -1.471E-01 X I 7.8000 -1.434E-01 X I 8.0000 -1.380E-01 X I 8.2000 -1.310E-01 X I 8.4000 -1.226E-01 X I 8.6000 -1.128E-01 X I 8.8000 -1.018E-01 X I 9.0000 -8.969E-02 X I 9.2000 -7.669E-02 X I 9.4000 -6.294E-02 X I 9.6000 -4.857E-02 X I 9.8000 -3.375E-02 X I 10.0000 -1.861E-02 X I 10.2500 5.242E-04 X 10.5000 1.966E-02 I X 10.7500 3.853E-02 I X 11.0000 5.691E-02 I X 11.2500 7.459E-02 I X 11.5000 9.138E-02 I X 11.7500 1.071E-01 I X 12.0000 1.216E-01 I X 12.2500 1.348E-01 I X 12.5000 1.465E-01 I X 12.7500 1.567E-01 I X 13.0000 1.654E-01 I X 13.2500 1.724E-01 I X 13.5000 1.778E-01 I X 13.7500 1.815E-01 I X 14.0000 1.836E-01 I X 14.2500 1.841E-01 I X 14.5000 1.831E-01 I X 14.7500 1.806E-01 I X 15.0000 1.766E-01 I X 15.5000 1.646E-01 I X 16.0000 1.477E-01 I X 16.5000 1.268E-01 I X 17.0000 1.025E-01 I X 17.5000 7.574E-02 I X 18.0000 4.718E-02 I X 18.5000 1.758E-02 I X 19.0000 -1.239E-02 X I 19.5000 -4.213E-02 X I 20.0000 -7.110E-02 X I 20.5000 -9.884E-02 X I 21.0000 -1.250E-01 X I 21.5000 -1.492E-01 X I 22.0000 -1.713E-01 X I 22.5000 -1.911E-01 X I 23.0000 -2.085E-01 X I 23.5000 -2.234E-01 X I 24.0000 -2.360E-01 X I 24.5000 -2.461E-01 X I 25.0000 -2.539E-01 X I 25.5000 -2.595E-01 X I 26.0000 -2.630E-01 X I 26.5000 -2.646E-01 X I 27.0000 -2.645E-01 X I 27.5000 -2.627E-01 X I 28.0000 -2.595E-01 X I 28.5000 -2.550E-01 X I 29.0000 -2.495E-01 X I 29.5000 -2.429E-01 X I 30.0000 -2.356E-01 X I 31.0000 -2.192E-01 X I 32.0000 -2.011E-01 X I 33.0000 -1.824E-01 X I 34.0000 -1.636E-01 X I 35.0000 -1.453E-01 X I 36.0000 -1.280E-01 X I 37.0000 -1.118E-01 X I 38.0000 -9.689E-02 X I 39.0000 -8.342E-02 X I 40.0000 -7.136E-02 X I 41.0000 -6.068E-02 X I 42.0000 -5.132E-02 X I 43.0000 -4.317E-02 X I 44.0000 -3.614E-02 X I 45.0000 -3.012E-02 X I 46.0000 -2.499E-02 X I 47.0000 -2.065E-02 X I 48.0000 -1.700E-02 X I 49.0000 -1.395E-02 X I 50.0000 -1.140E-02 X I 52.0000 -7.543E-03 X I 54.0000 -4.931E-03 XI 56.0000 -3.189E-03 XI 0.0 0.0 0.0 0.0 7 d8 9d d8 9d 151147.2 134147.2 FIXEDHF 17000.0 7 28.01 CONFIG=d8 9d d8 L=2 ELIM= 161648.800 N= 9 E= 151147.200 E= -0.09569763 Z=2.0000 L=2.0000 STEP=-.0500 NUM= 13600 NSAVE=13600 IRREG=0 IFITER=99 NNODES= 6 NUMR 13061 NUMS 13061 NUML 13586 RS 27.013 RL 0.750 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 RMAX -1.00000000 RMIN 1.54500000 RSCALE 1.59135000 RMAX -1.00000000 RMIN 1.59135000 RSCALE 1.63909050 RMAX -1.00000000 RMIN 1.63909050 RSCALE 1.68826322 RMAX -1.00000000 RMIN 1.68826322 RSCALE 1.73891111 RMAX -1.00000000 RMIN 1.73891111 RSCALE 1.79107844 RMAX -1.00000000 RMIN 1.79107844 RSCALE 1.84481080 RMAX -1.00000000 RMIN 1.84481080 RSCALE 1.90015512 RMAX -1.00000000 RMIN 1.90015512 RSCALE 1.95715978 RMAX -1.00000000 RMIN 1.95715978 RSCALE 2.01587457 RMAX -1.00000000 RMIN 2.01587457 RSCALE 2.07635081 RMAX -1.00000000 RMIN 2.07635081 RSCALE 2.13864133 RMAX -1.00000000 RMIN 2.13864133 RSCALE 2.20280057 RMAX -1.00000000 RMIN 2.20280057 RSCALE 2.26888459 RMAX -1.00000000 RMIN 2.26888459 RSCALE 2.33695112 DEL -31.14466946 RSCALE 2.33695112 DEL -8.72671404 RSCALE 2.35985823 DEL -6.56562482 RSCALE 2.36877536 DEL -3.69812975 RSCALE 2.39199441 DEL -2.32110147 RSCALE 2.41544106 DEL -1.51225045 RSCALE 2.43911754 DEL -0.98022433 RSCALE 2.46302610 DEL -0.60387459 RSCALE 2.48716901 DEL -0.32380705 RSCALE 2.51154857 DEL -0.10748149 RSCALE 2.53616711 DEL -0.01801945 RSCALE 2.54839884 DEL -0.00119530 RSCALE 2.55086256 DEL -0.00001425 RSCALE 2.55103760 DEL -0.00000001 RSCALE 2.55103971 DEL 0.00000000 RSCALE 2.55103971 CNORM= 9.96845E-01 0.0500 1.845E-03 X 0.1000 9.290E-03 I X 0.1500 1.963E-02 I X 0.2000 2.877E-02 I X 0.2500 3.403E-02 I X 0.3000 3.441E-02 I X 0.3500 3.014E-02 I X 0.4000 2.220E-02 I X 0.4500 1.184E-02 I X 0.5000 3.221E-04 X 0.5500 -1.125E-02 X I 0.6000 -2.197E-02 X I 0.6500 -3.122E-02 X I 0.7000 -3.857E-02 X I 0.7500 -4.382E-02 X I 0.8000 -4.689E-02 X I 0.8500 -4.786E-02 X I 0.9000 -4.687E-02 X I 0.9500 -4.413E-02 X I 1.0000 -3.989E-02 X I 1.1000 -2.791E-02 X I 1.2000 -1.296E-02 X I 1.3000 3.201E-03 IX 1.4000 1.914E-02 I X 1.5000 3.382E-02 I X 1.6000 4.652E-02 I X 1.7000 5.684E-02 I X 1.8000 6.457E-02 I X 1.9000 6.969E-02 I X 2.0000 7.230E-02 I X 2.1000 7.257E-02 I X 2.2000 7.073E-02 I X 2.3000 6.702E-02 I X 2.4000 6.172E-02 I X 2.5000 5.508E-02 I X 2.6000 4.735E-02 I X 2.7000 3.875E-02 I X 2.8000 2.951E-02 I X 2.9000 1.981E-02 I X 3.0000 9.820E-03 I X 3.1000 -2.969E-04 X 3.2000 -1.041E-02 X I 3.3000 -2.041E-02 X I 3.4000 -3.019E-02 X I 3.5000 -3.966E-02 X I 3.6000 -4.876E-02 X I 3.7000 -5.741E-02 X I 3.8000 -6.559E-02 X I 3.9000 -7.323E-02 X I 4.0000 -8.031E-02 X I 4.1000 -8.680E-02 X I 4.2000 -9.269E-02 X I 4.3000 -9.795E-02 X I 4.4000 -1.026E-01 X I 4.5000 -1.066E-01 X I 4.6000 -1.100E-01 X I 4.7000 -1.127E-01 X I 4.8000 -1.148E-01 X I 4.9000 -1.163E-01 X I 5.0000 -1.172E-01 X I 5.2000 -1.171E-01 X I 5.4000 -1.149E-01 X I 5.6000 -1.105E-01 X I 5.8000 -1.042E-01 X I 6.0000 -9.606E-02 X I 6.2000 -8.640E-02 X I 6.4000 -7.536E-02 X I 6.6000 -6.318E-02 X I 6.8000 -5.005E-02 X I 7.0000 -3.619E-02 X I 7.2000 -2.182E-02 X I 7.4000 -7.152E-03 X I 7.6000 7.614E-03 I X 7.8000 2.228E-02 I X 8.0000 3.667E-02 I X 8.2000 5.060E-02 I X 8.4000 6.391E-02 I X 8.6000 7.648E-02 I X 8.8000 8.816E-02 I X 9.0000 9.886E-02 I X 9.2000 1.085E-01 I X 9.4000 1.169E-01 I X 9.6000 1.241E-01 I X 9.8000 1.301E-01 I X 10.0000 1.347E-01 I X 10.2500 1.387E-01 I X 10.5000 1.406E-01 I X 10.7500 1.405E-01 I X 11.0000 1.384E-01 I X 11.2500 1.344E-01 I X 11.5000 1.287E-01 I X 11.7500 1.213E-01 I X 12.0000 1.123E-01 I X 12.2500 1.020E-01 I X 12.5000 9.048E-02 I X 12.7500 7.789E-02 I X 13.0000 6.443E-02 I X 13.2500 5.025E-02 I X 13.5000 3.554E-02 I X 13.7500 2.045E-02 I X 14.0000 5.147E-03 IX 14.2500 -1.020E-02 X I 14.5000 -2.546E-02 X I 14.7500 -4.047E-02 X I 15.0000 -5.511E-02 X I 15.5000 -8.278E-02 X I 16.0000 -1.076E-01 X I 16.5000 -1.290E-01 X I 17.0000 -1.463E-01 X I 17.5000 -1.593E-01 X I 18.0000 -1.678E-01 X I 18.5000 -1.718E-01 X I 19.0000 -1.714E-01 X I 19.5000 -1.667E-01 X I 20.0000 -1.582E-01 X I 20.5000 -1.461E-01 X I 21.0000 -1.310E-01 X I 21.5000 -1.132E-01 X I 22.0000 -9.314E-02 X I 22.5000 -7.142E-02 X I 23.0000 -4.843E-02 X I 23.5000 -2.464E-02 X I 24.0000 -4.445E-04 X 24.5000 2.376E-02 I X 25.0000 4.762E-02 I X 25.5000 7.083E-02 I X 26.0000 9.313E-02 I X 26.5000 1.143E-01 I X 27.0000 1.341E-01 I X 27.5000 1.524E-01 I X 28.0000 1.692E-01 I X 28.5000 1.843E-01 I X 29.0000 1.977E-01 I X 29.5000 2.093E-01 I X 30.0000 2.192E-01 I X 31.0000 2.340E-01 I X 32.0000 2.425E-01 I X 33.0000 2.452E-01 I X 34.0000 2.431E-01 I X 35.0000 2.369E-01 I X 36.0000 2.275E-01 I X 37.0000 2.156E-01 I X 38.0000 2.020E-01 I X 39.0000 1.873E-01 I X 40.0000 1.720E-01 I X 41.0000 1.566E-01 I X 42.0000 1.414E-01 I X 43.0000 1.269E-01 I X 44.0000 1.130E-01 I X 45.0000 1.001E-01 I X 46.0000 8.808E-02 I X 47.0000 7.711E-02 I X 48.0000 6.717E-02 I X 49.0000 5.823E-02 I X 50.0000 5.026E-02 I X 52.0000 3.697E-02 I X 54.0000 2.679E-02 I X 56.0000 1.915E-02 I X 58.0000 1.352E-02 I X 60.0000 9.435E-03 I X 62.0000 6.517E-03 IX 64.0000 4.459E-03 IX 66.0000 3.024E-03 IX 0.0 0.0 0.0 0.0 8 d8 10d d8 10d 152547.4 135547.4 FIXEDHF 17000.0 8 28.01 CONFIG=d8 10d d8 L=2 ELIM= 161648.800 N=10 E= 152547.400 E= -0.08293806 Z=2.0000 L=2.0000 STEP=-.0500 NUM= 14800 NSAVE=14800 IRREG=0 IFITER=99 NNODES= 7 NUMR 14261 NUMS 14261 NUML 14786 RS 27.013 RL 0.750 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 RMAX -1.00000000 RMIN 1.54500000 RSCALE 1.59135000 RMAX -1.00000000 RMIN 1.59135000 RSCALE 1.63909050 RMAX -1.00000000 RMIN 1.63909050 RSCALE 1.68826322 RMAX -1.00000000 RMIN 1.68826322 RSCALE 1.73891111 RMAX -1.00000000 RMIN 1.73891111 RSCALE 1.79107844 RMAX -1.00000000 RMIN 1.79107844 RSCALE 1.84481080 RMAX -1.00000000 RMIN 1.84481080 RSCALE 1.90015512 RMAX -1.00000000 RMIN 1.90015512 RSCALE 1.95715978 RMAX -1.00000000 RMIN 1.95715978 RSCALE 2.01587457 RMAX -1.00000000 RMIN 2.01587457 RSCALE 2.07635081 RMAX -1.00000000 RMIN 2.07635081 RSCALE 2.13864133 RMAX -1.00000000 RMIN 2.13864133 RSCALE 2.20280057 RMAX -1.00000000 RMIN 2.20280057 RSCALE 2.26888459 RMAX -1.00000000 RMIN 2.26888459 RSCALE 2.33695112 RMAX -1.00000000 RMIN 2.33695112 RSCALE 2.40705966 RMAX -1.00000000 RMIN 2.40705966 RSCALE 2.47927145 RMAX -1.00000000 RMIN 2.47927145 RSCALE 2.55364959 RMAX -1.00000000 RMIN 2.55364959 RSCALE 2.63025908 RMAX -1.00000000 RMIN 2.63025908 RSCALE 2.70916685 RMAX -1.00000000 RMIN 2.70916685 RSCALE 2.79044186 RMAX -1.00000000 RMIN 2.79044186 RSCALE 2.87415511 RMAX -1.00000000 RMIN 2.87415511 RSCALE 2.96037977 RMAX -1.00000000 RMIN 2.96037977 RSCALE 3.04919116 RMAX -1.00000000 RMIN 3.04919116 RSCALE 3.14066689 RMAX -1.00000000 RMIN 3.14066689 RSCALE 3.23488690 DEL 0.30188377 RSCALE 3.23488690 RMAX -1.00000000 RMIN 3.20348590 RSCALE 3.21918640 DEL -0.83397917 RSCALE 3.21918640 DEL -0.32412599 RSCALE 3.23071410 DEL 1.79331915 RSCALE 3.23804254 DEL -0.20923587 RSCALE 3.23183590 DEL -0.12970601 RSCALE 3.23248440 DEL 0.02798136 RSCALE 3.23354204 DEL -0.00300664 RSCALE 3.23335436 DEL -0.00006307 RSCALE 3.23337257 DEL 0.00000015 RSCALE 3.23337296 DEL 0.00000000 RSCALE 3.23337296 CNORM= 9.95992E-01 0.0500 1.784E-03 X 0.1000 8.881E-03 I X 0.1500 1.841E-02 I X 0.2000 2.622E-02 I X 0.2500 2.974E-02 I X 0.3000 2.820E-02 I X 0.3500 2.219E-02 I X 0.4000 1.298E-02 I X 0.4500 2.073E-03 X 0.5000 -9.092E-03 X I 0.5500 -1.935E-02 X I 0.6000 -2.784E-02 X I 0.6500 -3.403E-02 X I 0.7000 -3.769E-02 X I 0.7500 -3.879E-02 X I 0.8000 -3.750E-02 X I 0.8500 -3.410E-02 X I 0.9000 -2.893E-02 X I 0.9500 -2.239E-02 X I 1.0000 -1.487E-02 X I 1.1000 1.630E-03 X 1.2000 1.796E-02 I X 1.3000 3.221E-02 I X 1.4000 4.316E-02 I X 1.5000 5.022E-02 I X 1.6000 5.327E-02 I X 1.7000 5.255E-02 I X 1.8000 4.850E-02 I X 1.9000 4.171E-02 I X 2.0000 3.279E-02 I X 2.1000 2.236E-02 I X 2.2000 1.099E-02 I X 2.3000 -7.963E-04 X 2.4000 -1.256E-02 X I 2.5000 -2.394E-02 X I 2.6000 -3.463E-02 X I 2.7000 -4.441E-02 X I 2.8000 -5.311E-02 X I 2.9000 -6.062E-02 X I 3.0000 -6.686E-02 X I 3.1000 -7.182E-02 X I 3.2000 -7.548E-02 X I 3.3000 -7.787E-02 X I 3.4000 -7.905E-02 X I 3.5000 -7.906E-02 X I 3.6000 -7.799E-02 X I 3.7000 -7.591E-02 X I 3.8000 -7.290E-02 X I 3.9000 -6.906E-02 X I 4.0000 -6.446E-02 X I 4.1000 -5.920E-02 X I 4.2000 -5.337E-02 X I 4.3000 -4.704E-02 X I 4.4000 -4.029E-02 X I 4.5000 -3.321E-02 X I 4.6000 -2.586E-02 X I 4.7000 -1.831E-02 X I 4.8000 -1.063E-02 X I 4.9000 -2.873E-03 XI 5.0000 4.905E-03 IX 5.2000 2.032E-02 I X 5.4000 3.525E-02 I X 5.6000 4.938E-02 I X 5.8000 6.248E-02 I X 6.0000 7.434E-02 I X 6.2000 8.480E-02 I X 6.4000 9.374E-02 I X 6.6000 1.011E-01 I X 6.8000 1.068E-01 I X 7.0000 1.108E-01 I X 7.2000 1.131E-01 I X 7.4000 1.138E-01 I X 7.6000 1.129E-01 I X 7.8000 1.104E-01 I X 8.0000 1.065E-01 I X 8.2000 1.011E-01 I X 8.4000 9.453E-02 I X 8.6000 8.676E-02 I X 8.8000 7.794E-02 I X 9.0000 6.821E-02 I X 9.2000 5.770E-02 I X 9.4000 4.654E-02 I X 9.6000 3.487E-02 I X 9.8000 2.282E-02 I X 10.0000 1.053E-02 I X 10.2500 -4.968E-03 XI 10.5000 -2.039E-02 X I 10.7500 -3.550E-02 X I 11.0000 -5.009E-02 X I 11.2500 -6.396E-02 X I 11.5000 -7.692E-02 X I 11.7500 -8.884E-02 X I 12.0000 -9.956E-02 X I 12.2500 -1.090E-01 X I 12.5000 -1.170E-01 X I 12.7500 -1.236E-01 X I 13.0000 -1.287E-01 X I 13.2500 -1.323E-01 X I 13.5000 -1.344E-01 X I 13.7500 -1.349E-01 X I 14.0000 -1.339E-01 X I 14.2500 -1.316E-01 X I 14.5000 -1.278E-01 X I 14.7500 -1.227E-01 X I 15.0000 -1.164E-01 X I 15.5000 -1.004E-01 X I 16.0000 -8.071E-02 X I 16.5000 -5.809E-02 X I 17.0000 -3.348E-02 X I 17.5000 -7.762E-03 X I 18.0000 1.821E-02 I X 18.5000 4.363E-02 I X 19.0000 6.780E-02 I X 19.5000 9.010E-02 I X 20.0000 1.100E-01 I X 20.5000 1.271E-01 I X 21.0000 1.411E-01 I X 21.5000 1.518E-01 I X 22.0000 1.591E-01 I X 22.5000 1.630E-01 I X 23.0000 1.635E-01 I X 23.5000 1.607E-01 I X 24.0000 1.548E-01 I X 24.5000 1.462E-01 I X 25.0000 1.349E-01 I X 25.5000 1.214E-01 I X 26.0000 1.060E-01 I X 26.5000 8.883E-02 I X 27.0000 7.039E-02 I X 27.5000 5.095E-02 I X 28.0000 3.081E-02 I X 28.5000 1.026E-02 I X 29.0000 -1.041E-02 X I 29.5000 -3.096E-02 X I 30.0000 -5.116E-02 X I 31.0000 -8.971E-02 X I 32.0000 -1.247E-01 X I 33.0000 -1.552E-01 X I 34.0000 -1.807E-01 X I 35.0000 -2.008E-01 X I 36.0000 -2.157E-01 X I 37.0000 -2.255E-01 X I 38.0000 -2.306E-01 X I 39.0000 -2.315E-01 X I 40.0000 -2.288E-01 X I 41.0000 -2.231E-01 X I 42.0000 -2.149E-01 X I 43.0000 -2.047E-01 X I 44.0000 -1.932E-01 X I 45.0000 -1.807E-01 X I 46.0000 -1.677E-01 X I 47.0000 -1.545E-01 X I 48.0000 -1.413E-01 X I 49.0000 -1.285E-01 X I 50.0000 -1.161E-01 X I 52.0000 -9.333E-02 X I 54.0000 -7.359E-02 X I 56.0000 -5.704E-02 X I 58.0000 -4.355E-02 X I 60.0000 -3.278E-02 X I 62.0000 -2.438E-02 X I 64.0000 -1.792E-02 X I 66.0000 -1.303E-02 X I 68.0000 -9.389E-03 X I 70.0000 -6.704E-03 X I 72.0000 -4.747E-03 XI 74.0000 -3.336E-03 XI 76.0000 -2.327E-03 XI 0.0 0.0 0.0 0.0 9 d8 11d d8 11d 153549.5 136549.5 FIXEDHF 17000.0 9 28.01 CONFIG=d8 11d d8 L=2 ELIM= 161648.800 N=11 E= 153549.500 E= -0.07380626 Z=2.0000 L=2.0000 STEP=-.0500 NUM= 15800 NSAVE=15800 IRREG=0 IFITER=99 NNODES= 8 NUMR 15261 NUMS 15261 NUML 15786 RS 27.013 RL 0.750 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 RMAX -1.00000000 RMIN 1.54500000 RSCALE 1.59135000 RMAX -1.00000000 RMIN 1.59135000 RSCALE 1.63909050 RMAX -1.00000000 RMIN 1.63909050 RSCALE 1.68826322 RMAX -1.00000000 RMIN 1.68826322 RSCALE 1.73891111 RMAX -1.00000000 RMIN 1.73891111 RSCALE 1.79107844 RMAX -1.00000000 RMIN 1.79107844 RSCALE 1.84481080 RMAX -1.00000000 RMIN 1.84481080 RSCALE 1.90015512 RMAX -1.00000000 RMIN 1.90015512 RSCALE 1.95715978 RMAX -1.00000000 RMIN 1.95715978 RSCALE 2.01587457 RMAX -1.00000000 RMIN 2.01587457 RSCALE 2.07635081 RMAX -1.00000000 RMIN 2.07635081 RSCALE 2.13864133 RMAX -1.00000000 RMIN 2.13864133 RSCALE 2.20280057 RMAX -1.00000000 RMIN 2.20280057 RSCALE 2.26888459 RMAX -1.00000000 RMIN 2.26888459 RSCALE 2.33695112 RMAX -1.00000000 RMIN 2.33695112 RSCALE 2.40705966 RMAX -1.00000000 RMIN 2.40705966 RSCALE 2.47927145 RMAX -1.00000000 RMIN 2.47927145 RSCALE 2.55364959 RMAX -1.00000000 RMIN 2.55364959 RSCALE 2.63025908 RMAX -1.00000000 RMIN 2.63025908 RSCALE 2.70916685 RMAX -1.00000000 RMIN 2.70916685 RSCALE 2.79044186 RMAX -1.00000000 RMIN 2.79044186 RSCALE 2.87415511 RMAX -1.00000000 RMIN 2.87415511 RSCALE 2.96037977 RMAX -1.00000000 RMIN 2.96037977 RSCALE 3.04919116 RMAX -1.00000000 RMIN 3.04919116 RSCALE 3.14066689 RMAX -1.00000000 RMIN 3.14066689 RSCALE 3.23488690 RMAX -1.00000000 RMIN 3.23488690 RSCALE 3.33193351 RMAX -1.00000000 RMIN 3.33193351 RSCALE 3.43189151 RMAX -1.00000000 RMIN 3.43189151 RSCALE 3.53484826 DEL -0.97752227 RSCALE 3.53484826 DEL -0.96454772 RSCALE 3.56949732 DEL -0.94918013 RSCALE 3.60448601 DEL -0.93118535 RSCALE 3.63981766 DEL -0.91026868 RSCALE 3.67549564 DEL -0.88605908 RSCALE 3.71152334 DEL -0.85808739 RSCALE 3.74790419 DEL -0.82575588 RSCALE 3.78464165 DEL -0.78829496 RSCALE 3.82173922 DEL -0.74470047 RSCALE 3.85920042 DEL -0.69364047 RSCALE 3.89702882 DEL -0.63331307 RSCALE 3.93522801 DEL -0.56122229 RSCALE 3.97380165 DEL -0.47381125 RSCALE 4.01275338 DEL -0.36583394 RSCALE 4.05208693 DEL -0.22921952 RSCALE 4.09180603 DEL -0.05087604 RSCALE 4.13191446 DEL 0.01005600 RSCALE 4.14335619 DEL -0.00036619 RSCALE 4.14146789 DEL -0.00000254 RSCALE 4.14153423 DEL 0.00000000 RSCALE 4.14153470 CNORM= 9.95257E-01 0.0500 1.741E-03 X 0.1000 8.584E-03 I X 0.1500 1.749E-02 I X 0.2000 2.427E-02 I X 0.2500 2.644E-02 I X 0.3000 2.348E-02 I X 0.3500 1.627E-02 I X 0.4000 6.363E-03 I X 0.4500 -4.506E-03 XI 0.5000 -1.480E-02 X I 0.5500 -2.336E-02 X I 0.6000 -2.942E-02 X I 0.6500 -3.261E-02 X I 0.7000 -3.292E-02 X I 0.7500 -3.056E-02 X I 0.8000 -2.594E-02 X I 0.8500 -1.955E-02 X I 0.9000 -1.192E-02 X I 0.9500 -3.603E-03 XI 1.0000 4.916E-03 IX 1.1000 2.087E-02 I X 1.2000 3.331E-02 I X 1.3000 4.081E-02 I X 1.4000 4.295E-02 I X 1.5000 4.008E-02 I X 1.6000 3.304E-02 I X 1.7000 2.291E-02 I X 1.8000 1.085E-02 I X 1.9000 -2.046E-03 XI 2.0000 -1.481E-02 X I 2.1000 -2.667E-02 X I 2.2000 -3.703E-02 X I 2.3000 -4.549E-02 X I 2.4000 -5.178E-02 X I 2.5000 -5.583E-02 X I 2.6000 -5.763E-02 X I 2.7000 -5.729E-02 X I 2.8000 -5.498E-02 X I 2.9000 -5.092E-02 X I 3.0000 -4.534E-02 X I 3.1000 -3.852E-02 X I 3.2000 -3.070E-02 X I 3.3000 -2.214E-02 X I 3.4000 -1.307E-02 X I 3.5000 -3.735E-03 XI 3.6000 5.681E-03 IX 3.7000 1.499E-02 I X 3.8000 2.404E-02 I X 3.9000 3.270E-02 I X 4.0000 4.084E-02 I X 4.1000 4.838E-02 I X 4.2000 5.524E-02 I X 4.3000 6.138E-02 I X 4.4000 6.673E-02 I X 4.5000 7.129E-02 I X 4.6000 7.504E-02 I X 4.7000 7.797E-02 I X 4.8000 8.010E-02 I X 4.9000 8.143E-02 I X 5.0000 8.200E-02 I X 5.2000 8.094E-02 I X 5.4000 7.719E-02 I X 5.6000 7.108E-02 I X 5.8000 6.295E-02 I X 6.0000 5.317E-02 I X 6.2000 4.208E-02 I X 6.4000 3.001E-02 I X 6.6000 1.730E-02 I X 6.8000 4.232E-03 IX 7.0000 -8.919E-03 X I 7.2000 -2.191E-02 X I 7.4000 -3.452E-02 X I 7.6000 -4.657E-02 X I 7.8000 -5.788E-02 X I 8.0000 -6.832E-02 X I 8.2000 -7.776E-02 X I 8.4000 -8.612E-02 X I 8.6000 -9.332E-02 X I 8.8000 -9.931E-02 X I 9.0000 -1.040E-01 X I 9.2000 -1.075E-01 X I 9.4000 -1.097E-01 X I 9.6000 -1.106E-01 X I 9.8000 -1.103E-01 X I 10.0000 -1.087E-01 X I 10.2500 -1.052E-01 X I 10.5000 -9.994E-02 X I 10.7500 -9.310E-02 X I 11.0000 -8.483E-02 X I 11.2500 -7.529E-02 X I 11.5000 -6.464E-02 X I 11.7500 -5.307E-02 X I 12.0000 -4.076E-02 X I 12.2500 -2.790E-02 X I 12.5000 -1.466E-02 X I 12.7500 -1.233E-03 X 13.0000 1.221E-02 I X 13.2500 2.550E-02 I X 13.5000 3.849E-02 I X 13.7500 5.102E-02 I X 14.0000 6.296E-02 I X 14.2500 7.418E-02 I X 14.5000 8.459E-02 I X 14.7500 9.408E-02 I X 15.0000 1.026E-01 I X 15.5000 1.163E-01 I X 16.0000 1.254E-01 I X 16.5000 1.298E-01 I X 17.0000 1.294E-01 I X 17.5000 1.245E-01 I X 18.0000 1.153E-01 I X 18.5000 1.025E-01 I X 19.0000 8.641E-02 I X 19.5000 6.776E-02 I X 20.0000 4.715E-02 I X 20.5000 2.523E-02 I X 21.0000 2.632E-03 IX 21.5000 -2.004E-02 X I 22.0000 -4.221E-02 X I 22.5000 -6.339E-02 X I 23.0000 -8.311E-02 X I 23.5000 -1.010E-01 X I 24.0000 -1.167E-01 X I 24.5000 -1.300E-01 X I 25.0000 -1.408E-01 X I 25.5000 -1.488E-01 X I 26.0000 -1.542E-01 X I 26.5000 -1.567E-01 X I 27.0000 -1.566E-01 X I 27.5000 -1.539E-01 X I 28.0000 -1.488E-01 X I 28.5000 -1.414E-01 X I 29.0000 -1.319E-01 X I 29.5000 -1.205E-01 X I 30.0000 -1.074E-01 X I 31.0000 -7.731E-02 X I 32.0000 -4.341E-02 X I 33.0000 -7.528E-03 X I 34.0000 2.869E-02 I X 35.0000 6.382E-02 I X 36.0000 9.670E-02 I X 37.0000 1.264E-01 I X 38.0000 1.524E-01 I X 39.0000 1.743E-01 I X 40.0000 1.918E-01 I X 41.0000 2.050E-01 I X 42.0000 2.141E-01 I X 43.0000 2.194E-01 I X 44.0000 2.211E-01 I X 45.0000 2.198E-01 I X 46.0000 2.158E-01 I X 47.0000 2.096E-01 I X 48.0000 2.015E-01 I X 49.0000 1.921E-01 I X 50.0000 1.816E-01 I X 52.0000 1.589E-01 I X 54.0000 1.356E-01 I X 56.0000 1.132E-01 I X 58.0000 9.273E-02 I X 60.0000 7.467E-02 I X 62.0000 5.921E-02 I X 64.0000 4.632E-02 I X 66.0000 3.578E-02 I X 68.0000 2.733E-02 I X 70.0000 2.065E-02 I X 72.0000 1.546E-02 I X 74.0000 1.147E-02 I X 76.0000 8.440E-03 I X 78.0000 6.162E-03 I X 80.0000 4.467E-03 IX 82.0000 3.217E-03 IX 84.0000 2.302E-03 IX 0.0 0.0 0.0 0.0 A d8 12d d8 12d 154292.7 137292.7 FIXEDHF 17000.0 10 28.01 CONFIG=d8 12d d8 L=2 ELIM= 161648.800 N=12 E= 154292.700 E= -0.06703372 Z=2.0000 L=2.0000 STEP=-.0500 NUM= 16700 NSAVE=16700 IRREG=0 IFITER=99 NNODES= 9 NUMR 16161 NUMS 16161 NUML 16686 RS 27.013 RL 0.750 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 RMAX -1.00000000 RMIN 1.54500000 RSCALE 1.59135000 RMAX -1.00000000 RMIN 1.59135000 RSCALE 1.63909050 RMAX -1.00000000 RMIN 1.63909050 RSCALE 1.68826322 RMAX -1.00000000 RMIN 1.68826322 RSCALE 1.73891111 RMAX -1.00000000 RMIN 1.73891111 RSCALE 1.79107844 RMAX -1.00000000 RMIN 1.79107844 RSCALE 1.84481080 RMAX -1.00000000 RMIN 1.84481080 RSCALE 1.90015512 RMAX -1.00000000 RMIN 1.90015512 RSCALE 1.95715978 RMAX -1.00000000 RMIN 1.95715978 RSCALE 2.01587457 RMAX -1.00000000 RMIN 2.01587457 RSCALE 2.07635081 RMAX -1.00000000 RMIN 2.07635081 RSCALE 2.13864133 RMAX -1.00000000 RMIN 2.13864133 RSCALE 2.20280057 RMAX -1.00000000 RMIN 2.20280057 RSCALE 2.26888459 RMAX -1.00000000 RMIN 2.26888459 RSCALE 2.33695112 RMAX -1.00000000 RMIN 2.33695112 RSCALE 2.40705966 RMAX -1.00000000 RMIN 2.40705966 RSCALE 2.47927145 RMAX -1.00000000 RMIN 2.47927145 RSCALE 2.55364959 RMAX -1.00000000 RMIN 2.55364959 RSCALE 2.63025908 RMAX -1.00000000 RMIN 2.63025908 RSCALE 2.70916685 RMAX -1.00000000 RMIN 2.70916685 RSCALE 2.79044186 RMAX -1.00000000 RMIN 2.79044186 RSCALE 2.87415511 RMAX -1.00000000 RMIN 2.87415511 RSCALE 2.96037977 RMAX -1.00000000 RMIN 2.96037977 RSCALE 3.04919116 RMAX -1.00000000 RMIN 3.04919116 RSCALE 3.14066689 RMAX -1.00000000 RMIN 3.14066689 RSCALE 3.23488690 RMAX -1.00000000 RMIN 3.23488690 RSCALE 3.33193351 RMAX -1.00000000 RMIN 3.33193351 RSCALE 3.43189151 RMAX -1.00000000 RMIN 3.43189151 RSCALE 3.53484826 RMAX -1.00000000 RMIN 3.53484826 RSCALE 3.64089371 RMAX -1.00000000 RMIN 3.64089371 RSCALE 3.75012052 RMAX -1.00000000 RMIN 3.75012052 RSCALE 3.86262413 RMAX -1.00000000 RMIN 3.86262413 RSCALE 3.97850286 RMAX -1.00000000 RMIN 3.97850286 RSCALE 4.09785794 RMAX -1.00000000 RMIN 4.09785794 RSCALE 4.22079368 RMAX -1.00000000 RMIN 4.22079368 RSCALE 4.34741749 RMAX -1.00000000 RMIN 4.34741749 RSCALE 4.47784002 RMAX -1.00000000 RMIN 4.47784002 RSCALE 4.61217522 RMAX -1.00000000 RMIN 4.61217522 RSCALE 4.75054047 DEL -0.99565282 RSCALE 4.75054047 DEL -0.94780160 RSCALE 4.79710591 DEL -0.89602092 RSCALE 4.84412778 DEL -0.83961141 RSCALE 4.89161057 DEL -0.77772448 RSCALE 4.93955880 DEL -0.70931318 RSCALE 4.98797701 DEL -0.63306357 RSCALE 5.03686983 DEL -0.54729683 RSCALE 5.08624190 DEL -0.44982591 RSCALE 5.13609793 DEL -0.33773964 RSCALE 5.18644265 DEL -0.20706758 RSCALE 5.23728086 DEL -0.05224020 RSCALE 5.28861738 DEL 0.00637569 RSCALE 5.30593881 DEL -0.00017587 RSCALE 5.30405475 DEL -0.00000058 RSCALE 5.30410532 DEL 0.00000000 RSCALE 5.30410549 CNORM= 9.94369E-01 0.0500 1.701E-03 X 0.1000 8.321E-03 I X 0.1500 1.672E-02 I X 0.2000 2.268E-02 I X 0.2500 2.383E-02 I X 0.3000 1.986E-02 I X 0.3500 1.191E-02 I X 0.4000 1.762E-03 X 0.4500 -8.703E-03 X I 0.5000 -1.790E-02 X I 0.5500 -2.472E-02 X I 0.6000 -2.853E-02 X I 0.6500 -2.918E-02 X I 0.7000 -2.687E-02 X I 0.7500 -2.205E-02 X I 0.8000 -1.533E-02 X I 0.8500 -7.387E-03 X I 0.9000 1.103E-03 X 0.9500 9.525E-03 I X 1.0000 1.735E-02 I X 1.1000 2.963E-02 I X 1.2000 3.590E-02 I X 1.3000 3.569E-02 I X 1.4000 2.976E-02 I X 1.5000 1.953E-02 I X 1.6000 6.766E-03 I X 1.7000 -6.812E-03 X I 1.8000 -1.970E-02 X I 1.9000 -3.071E-02 X I 2.0000 -3.907E-02 X I 2.1000 -4.431E-02 X I 2.2000 -4.630E-02 X I 2.3000 -4.518E-02 X I 2.4000 -4.124E-02 X I 2.5000 -3.492E-02 X I 2.6000 -2.674E-02 X I 2.7000 -1.722E-02 X I 2.8000 -6.912E-03 X I 2.9000 3.703E-03 IX 3.0000 1.417E-02 I X 3.1000 2.412E-02 I X 3.2000 3.322E-02 I X 3.3000 4.122E-02 I X 3.4000 4.796E-02 I X 3.5000 5.329E-02 I X 3.6000 5.717E-02 I X 3.7000 5.956E-02 I X 3.8000 6.050E-02 I X 3.9000 6.003E-02 I X 4.0000 5.826E-02 I X 4.1000 5.527E-02 I X 4.2000 5.120E-02 I X 4.3000 4.617E-02 I X 4.4000 4.032E-02 I X 4.5000 3.378E-02 I X 4.6000 2.670E-02 I X 4.7000 1.922E-02 I X 4.8000 1.144E-02 I X 4.9000 3.514E-03 IX 5.0000 -4.464E-03 XI 5.2000 -2.016E-02 X I 5.4000 -3.492E-02 X I 5.6000 -4.819E-02 X I 5.8000 -5.956E-02 X I 6.0000 -6.875E-02 X I 6.2000 -7.560E-02 X I 6.4000 -8.007E-02 X I 6.6000 -8.217E-02 X I 6.8000 -8.201E-02 X I 7.0000 -7.973E-02 X I 7.2000 -7.551E-02 X I 7.4000 -6.957E-02 X I 7.6000 -6.212E-02 X I 7.8000 -5.340E-02 X I 8.0000 -4.366E-02 X I 8.2000 -3.310E-02 X I 8.4000 -2.197E-02 X I 8.6000 -1.047E-02 X I 8.8000 1.192E-03 X 9.0000 1.284E-02 I X 9.2000 2.431E-02 I X 9.4000 3.543E-02 I X 9.6000 4.608E-02 I X 9.8000 5.613E-02 I X 10.0000 6.548E-02 I X 10.2500 7.605E-02 I X 10.5000 8.524E-02 I X 10.7500 9.295E-02 I X 11.0000 9.910E-02 I X 11.2500 1.036E-01 I X 11.5000 1.066E-01 I X 11.7500 1.079E-01 I X 12.0000 1.076E-01 I X 12.2500 1.058E-01 I X 12.5000 1.025E-01 I X 12.7500 9.780E-02 I X 13.0000 9.184E-02 I X 13.2500 8.469E-02 I X 13.5000 7.648E-02 I X 13.7500 6.733E-02 I X 14.0000 5.737E-02 I X 14.2500 4.674E-02 I X 14.5000 3.557E-02 I X 14.7500 2.399E-02 I X 15.0000 1.216E-02 I X 15.5000 -1.178E-02 X I 16.0000 -3.524E-02 X I 16.5000 -5.731E-02 X I 17.0000 -7.719E-02 X I 17.5000 -9.423E-02 X I 18.0000 -1.079E-01 X I 18.5000 -1.180E-01 X I 19.0000 -1.242E-01 X I 19.5000 -1.264E-01 X I 20.0000 -1.248E-01 X I 20.5000 -1.195E-01 X I 21.0000 -1.108E-01 X I 21.5000 -9.909E-02 X I 22.0000 -8.475E-02 X I 22.5000 -6.824E-02 X I 23.0000 -5.004E-02 X I 23.5000 -3.065E-02 X I 24.0000 -1.055E-02 X I 24.5000 9.786E-03 I X 25.0000 2.991E-02 I X 25.5000 4.942E-02 I X 26.0000 6.794E-02 I X 26.5000 8.514E-02 I X 27.0000 1.007E-01 I X 27.5000 1.145E-01 I X 28.0000 1.262E-01 I X 28.5000 1.359E-01 I X 29.0000 1.432E-01 I X 29.5000 1.483E-01 I X 30.0000 1.511E-01 I X 31.0000 1.500E-01 I X 32.0000 1.406E-01 I X 33.0000 1.239E-01 I X 34.0000 1.012E-01 I X 35.0000 7.386E-02 I X 36.0000 4.340E-02 I X 37.0000 1.122E-02 I X 38.0000 -2.138E-02 X I 39.0000 -5.328E-02 X I 40.0000 -8.350E-02 X I 41.0000 -1.113E-01 X I 42.0000 -1.361E-01 X I 43.0000 -1.576E-01 X I 44.0000 -1.755E-01 X I 45.0000 -1.897E-01 X I 46.0000 -2.004E-01 X I 47.0000 -2.076E-01 X I 48.0000 -2.117E-01 X I 49.0000 -2.129E-01 X I 50.0000 -2.115E-01 X I 52.0000 -2.023E-01 X I 54.0000 -1.869E-01 X I 56.0000 -1.678E-01 X I 58.0000 -1.469E-01 X I 60.0000 -1.259E-01 X I 62.0000 -1.060E-01 X I 64.0000 -8.767E-02 X I 66.0000 -7.146E-02 X I 68.0000 -5.747E-02 X I 70.0000 -4.566E-02 X I 72.0000 -3.587E-02 X I 74.0000 -2.789E-02 X I 76.0000 -2.148E-02 X I 78.0000 -1.640E-02 X I 80.0000 -1.242E-02 X I 82.0000 -9.332E-03 X I 84.0000 -6.964E-03 X I 86.0000 -5.162E-03 XI 88.0000 -3.802E-03 XI 90.0000 -2.784E-03 XI 0.0 0.0 0.0 0.0 B d8 13d d8 13d 154859.9 137859.9 FIXEDHF 17000.0 11 28.01 CONFIG=d8 13d d8 L=2 ELIM= 161648.800 N=13 E= 154859.900 E= -0.06186501 Z=2.0000 L=2.0000 STEP=-.0500 NUM= 17500 NSAVE=17500 IRREG=0 IFITER=99 NNODES=10 NUMR 16961 NUMS 16961 NUML 17486 RS 27.013 RL 0.750 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 RMAX -1.00000000 RMIN 1.54500000 RSCALE 1.59135000 RMAX -1.00000000 RMIN 1.59135000 RSCALE 1.63909050 RMAX -1.00000000 RMIN 1.63909050 RSCALE 1.68826322 RMAX -1.00000000 RMIN 1.68826322 RSCALE 1.73891111 RMAX -1.00000000 RMIN 1.73891111 RSCALE 1.79107844 RMAX -1.00000000 RMIN 1.79107844 RSCALE 1.84481080 RMAX -1.00000000 RMIN 1.84481080 RSCALE 1.90015512 RMAX -1.00000000 RMIN 1.90015512 RSCALE 1.95715978 RMAX -1.00000000 RMIN 1.95715978 RSCALE 2.01587457 RMAX -1.00000000 RMIN 2.01587457 RSCALE 2.07635081 RMAX -1.00000000 RMIN 2.07635081 RSCALE 2.13864133 RMAX -1.00000000 RMIN 2.13864133 RSCALE 2.20280057 RMAX -1.00000000 RMIN 2.20280057 RSCALE 2.26888459 RMAX -1.00000000 RMIN 2.26888459 RSCALE 2.33695112 RMAX -1.00000000 RMIN 2.33695112 RSCALE 2.40705966 RMAX -1.00000000 RMIN 2.40705966 RSCALE 2.47927145 RMAX -1.00000000 RMIN 2.47927145 RSCALE 2.55364959 RMAX -1.00000000 RMIN 2.55364959 RSCALE 2.63025908 RMAX -1.00000000 RMIN 2.63025908 RSCALE 2.70916685 RMAX -1.00000000 RMIN 2.70916685 RSCALE 2.79044186 RMAX -1.00000000 RMIN 2.79044186 RSCALE 2.87415511 RMAX -1.00000000 RMIN 2.87415511 RSCALE 2.96037977 RMAX -1.00000000 RMIN 2.96037977 RSCALE 3.04919116 RMAX -1.00000000 RMIN 3.04919116 RSCALE 3.14066689 RMAX -1.00000000 RMIN 3.14066689 RSCALE 3.23488690 RMAX -1.00000000 RMIN 3.23488690 RSCALE 3.33193351 RMAX -1.00000000 RMIN 3.33193351 RSCALE 3.43189151 RMAX -1.00000000 RMIN 3.43189151 RSCALE 3.53484826 RMAX -1.00000000 RMIN 3.53484826 RSCALE 3.64089371 RMAX -1.00000000 RMIN 3.64089371 RSCALE 3.75012052 RMAX -1.00000000 RMIN 3.75012052 RSCALE 3.86262413 RMAX -1.00000000 RMIN 3.86262413 RSCALE 3.97850286 RMAX -1.00000000 RMIN 3.97850286 RSCALE 4.09785794 RMAX -1.00000000 RMIN 4.09785794 RSCALE 4.22079368 RMAX -1.00000000 RMIN 4.22079368 RSCALE 4.34741749 RMAX -1.00000000 RMIN 4.34741749 RSCALE 4.47784002 RMAX -1.00000000 RMIN 4.47784002 RSCALE 4.61217522 RMAX -1.00000000 RMIN 4.61217522 RSCALE 4.75054047 RMAX -1.00000000 RMIN 4.75054047 RSCALE 4.89305669 RMAX -1.00000000 RMIN 4.89305669 RSCALE 5.03984839 RMAX -1.00000000 RMIN 5.03984839 RSCALE 5.19104384 RMAX -1.00000000 RMIN 5.19104384 RSCALE 5.34677516 RMAX -1.00000000 RMIN 5.34677516 RSCALE 5.50717841 RMAX -1.00000000 RMIN 5.50717841 RSCALE 5.67239376 RMAX -1.00000000 RMIN 5.67239376 RSCALE 5.84256558 RMAX -1.00000000 RMIN 5.84256558 RSCALE 6.01784254 RMAX -1.00000000 RMIN 6.01784254 RSCALE 6.19837782 RMAX -1.00000000 RMIN 6.19837782 RSCALE 6.38432915 DEL -0.88061092 RSCALE 6.38432915 DEL -0.75918928 RSCALE 6.44690920 DEL -0.62711690 RSCALE 6.51010267 DEL -0.48167228 RSCALE 6.57391557 DEL -0.31939365 RSCALE 6.63835397 DEL -0.13575168 RSCALE 6.70342401 DEL 0.01587491 RSCALE 6.75152503 DEL -0.00072348 RSCALE 6.74648898 DEL -0.00000373 RSCALE 6.74670848 DEL 0.00000000 RSCALE 6.74670962 CNORM= 9.93103E-01 0.0500 1.663E-03 X 0.1000 8.086E-03 I X 0.1500 1.606E-02 I X 0.2000 2.138E-02 I X 0.2500 2.178E-02 I X 0.3000 1.712E-02 I X 0.3500 8.754E-03 I X 0.4000 -1.370E-03 X 0.4500 -1.128E-02 X I 0.5000 -1.939E-02 X I 0.5500 -2.466E-02 X I 0.6000 -2.662E-02 X I 0.6500 -2.531E-02 X I 0.7000 -2.114E-02 X I 0.7500 -1.476E-02 X I 0.8000 -6.951E-03 X I 0.8500 1.487E-03 X 0.9000 9.811E-03 I X 0.9500 1.738E-02 I X 1.0000 2.370E-02 I X 1.1000 3.134E-02 I X 1.2000 3.161E-02 I X 1.3000 2.524E-02 I X 1.4000 1.409E-02 I X 1.5000 5.244E-04 X 1.6000 -1.316E-02 X I 1.7000 -2.504E-02 X I 1.8000 -3.377E-02 X I 1.9000 -3.860E-02 X I 2.0000 -3.932E-02 X I 2.1000 -3.619E-02 X I 2.2000 -2.978E-02 X I 2.3000 -2.087E-02 X I 2.4000 -1.033E-02 X I 2.5000 9.671E-04 X 2.6000 1.221E-02 I X 2.7000 2.269E-02 I X 2.8000 3.185E-02 I X 2.9000 3.926E-02 I X 3.0000 4.465E-02 I X 3.1000 4.787E-02 I X 3.2000 4.892E-02 I X 3.3000 4.786E-02 I X 3.4000 4.486E-02 I X 3.5000 4.015E-02 I X 3.6000 3.398E-02 I X 3.7000 2.664E-02 I X 3.8000 1.844E-02 I X 3.9000 9.667E-03 I X 4.0000 6.083E-04 X 4.1000 -8.469E-03 X I 4.2000 -1.732E-02 X I 4.3000 -2.575E-02 X I 4.4000 -3.355E-02 X I 4.5000 -4.059E-02 X I 4.6000 -4.674E-02 X I 4.7000 -5.192E-02 X I 4.8000 -5.607E-02 X I 4.9000 -5.915E-02 X I 5.0000 -6.114E-02 X I 5.2000 -6.196E-02 X I 5.4000 -5.880E-02 X I 5.6000 -5.217E-02 X I 5.8000 -4.267E-02 X I 6.0000 -3.102E-02 X I 6.2000 -1.790E-02 X I 6.4000 -3.986E-03 XI 6.6000 1.009E-02 I X 6.8000 2.380E-02 I X 7.0000 3.665E-02 I X 7.2000 4.830E-02 I X 7.4000 5.843E-02 I X 7.6000 6.684E-02 I X 7.8000 7.340E-02 I X 8.0000 7.804E-02 I X 8.2000 8.075E-02 I X 8.4000 8.157E-02 I X 8.6000 8.057E-02 I X 8.8000 7.788E-02 I X 9.0000 7.362E-02 I X 9.2000 6.795E-02 I X 9.4000 6.105E-02 I X 9.6000 5.309E-02 I X 9.8000 4.424E-02 I X 10.0000 3.469E-02 I X 10.2500 2.202E-02 I X 10.5000 8.859E-03 I X 10.7500 -4.498E-03 XI 11.0000 -1.777E-02 X I 11.2500 -3.069E-02 X I 11.5000 -4.304E-02 X I 11.7500 -5.461E-02 X I 12.0000 -6.525E-02 X I 12.2500 -7.481E-02 X I 12.5000 -8.317E-02 X I 12.7500 -9.026E-02 X I 13.0000 -9.601E-02 X I 13.2500 -1.004E-01 X I 13.5000 -1.034E-01 X I 13.7500 -1.050E-01 X I 14.0000 -1.052E-01 X I 14.2500 -1.041E-01 X I 14.5000 -1.017E-01 X I 14.7500 -9.807E-02 X I 15.0000 -9.331E-02 X I 15.5000 -8.069E-02 X I 16.0000 -6.457E-02 X I 16.5000 -4.578E-02 X I 17.0000 -2.516E-02 X I 17.5000 -3.577E-03 XI 18.0000 1.814E-02 I X 18.5000 3.923E-02 I X 19.0000 5.897E-02 I X 19.5000 7.678E-02 I X 20.0000 9.216E-02 I X 20.5000 1.047E-01 I X 21.0000 1.141E-01 I X 21.5000 1.203E-01 I X 22.0000 1.231E-01 I X 22.5000 1.227E-01 I X 23.0000 1.190E-01 I X 23.5000 1.124E-01 I X 24.0000 1.030E-01 I X 24.5000 9.116E-02 I X 25.0000 7.727E-02 I X 25.5000 6.167E-02 I X 26.0000 4.475E-02 I X 26.5000 2.690E-02 I X 27.0000 8.503E-03 I X 27.5000 -1.006E-02 X I 28.0000 -2.843E-02 X I 28.5000 -4.629E-02 X I 29.0000 -6.332E-02 X I 29.5000 -7.927E-02 X I 30.0000 -9.390E-02 X I 31.0000 -1.184E-01 X I 32.0000 -1.358E-01 X I 33.0000 -1.454E-01 X I 34.0000 -1.473E-01 X I 35.0000 -1.417E-01 X I 36.0000 -1.294E-01 X I 37.0000 -1.113E-01 X I 38.0000 -8.863E-02 X I 39.0000 -6.244E-02 X I 40.0000 -3.395E-02 X I 41.0000 -4.283E-03 XI 42.0000 2.553E-02 I X 43.0000 5.459E-02 I X 44.0000 8.214E-02 I X 45.0000 1.076E-01 I X 46.0000 1.304E-01 I X 47.0000 1.504E-01 I X 48.0000 1.673E-01 I X 49.0000 1.810E-01 I X 50.0000 1.916E-01 I X 52.0000 2.040E-01 I X 54.0000 2.060E-01 I X 56.0000 1.995E-01 I X 58.0000 1.870E-01 I X 60.0000 1.705E-01 I X 62.0000 1.518E-01 I X 64.0000 1.324E-01 I X 66.0000 1.134E-01 I X 68.0000 9.564E-02 I X 70.0000 7.948E-02 I X 72.0000 6.520E-02 I X 74.0000 5.285E-02 I X 76.0000 4.237E-02 I X 78.0000 3.364E-02 I X 80.0000 2.646E-02 I X 82.0000 2.063E-02 I X 84.0000 1.596E-02 I X 86.0000 1.226E-02 I X 88.0000 9.349E-03 I X 90.0000 7.083E-03 I X 92.0000 5.333E-03 IX 94.0000 3.993E-03 IX 96.0000 2.973E-03 IX 98.0000 2.202E-03 IX 0.0 0.0 0.0 0.0 C d7 4s4d d7 4s 4d 176357.4 149357.4 FIXEDHF 27000.0 12 28.01 CONFIG=d7 4s4d d7 4s L=2 ELIM= 229263.300 N= 4 E= 176357.400 E= -0.48211406 Z=2.0000 L=2.0000 STEP=-.0500 NUM= 5600 NSAVE= 5600 IRREG=0 IFITER=99 NNODES= 1 NUMR 5061 NUMS 5061 NUML 5586 RS 27.013 RL 0.750 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 DEL -38.46024307 RSCALE 1.45631068 DEL -238.32296799 RSCALE 1.47058563 DEL -38.46008469 RSCALE 1.45631068 DEL -32.32211668 RSCALE 1.45356372 DEL -16.40904485 RSCALE 1.43945400 DEL -9.96948472 RSCALE 1.42548124 DEL -6.55246728 RSCALE 1.41164411 DEL -4.47093455 RSCALE 1.39794131 DEL -3.09139752 RSCALE 1.38437151 DEL -2.12353771 RSCALE 1.37093344 DEL -1.41609615 RSCALE 1.35762581 DEL -0.88283279 RSCALE 1.34444735 DEL -0.47117416 RSCALE 1.33139682 DEL -0.14737376 RSCALE 1.31847297 DEL -0.02183935 RSCALE 1.31259084 DEL -0.00121278 RSCALE 1.31156752 DEL -0.00001067 RSCALE 1.31150736 DEL -0.00000001 RSCALE 1.31150682 CNORM= 1.06531E+00 0.0500 3.654E-03 X 0.1000 1.922E-02 I X 0.1500 4.355E-02 I X 0.2000 7.043E-02 I X 0.2500 9.503E-02 I X 0.3000 1.145E-01 I X 0.3500 1.277E-01 I X 0.4000 1.344E-01 I X 0.4500 1.350E-01 I X 0.5000 1.303E-01 I X 0.5500 1.212E-01 I X 0.6000 1.085E-01 I X 0.6500 9.312E-02 I X 0.7000 7.564E-02 I X 0.7500 5.672E-02 I X 0.8000 3.684E-02 I X 0.8500 1.643E-02 I X 0.9000 -4.204E-03 X 0.9500 -2.479E-02 X I 1.0000 -4.514E-02 X I 1.1000 -8.457E-02 X I 1.2000 -1.217E-01 X I 1.3000 -1.562E-01 X I 1.4000 -1.881E-01 X I 1.5000 -2.172E-01 X I 1.6000 -2.439E-01 X I 1.7000 -2.683E-01 X I 1.8000 -2.907E-01 X I 1.9000 -3.111E-01 X I 2.0000 -3.297E-01 X I 2.1000 -3.468E-01 X I 2.2000 -3.625E-01 X I 2.3000 -3.768E-01 X I 2.4000 -3.899E-01 X I 2.5000 -4.019E-01 X I 2.6000 -4.128E-01 X I 2.7000 -4.227E-01 X I 2.8000 -4.316E-01 X I 2.9000 -4.396E-01 X I 3.0000 -4.467E-01 X I 3.1000 -4.529E-01 X I 3.2000 -4.582E-01 X I 3.3000 -4.626E-01 X I 3.4000 -4.662E-01 X I 3.5000 -4.690E-01 X I 3.6000 -4.710E-01 X I 3.7000 -4.722E-01 X I 3.8000 -4.727E-01 X I 3.9000 -4.724E-01 X I 4.0000 -4.714E-01 X I 4.1000 -4.698E-01 X I 4.2000 -4.675E-01 X I 4.3000 -4.646E-01 X I 4.4000 -4.611E-01 X I 4.5000 -4.571E-01 X I 4.6000 -4.526E-01 X I 4.7000 -4.476E-01 X I 4.8000 -4.422E-01 X I 4.9000 -4.363E-01 X I 5.0000 -4.301E-01 X I 5.2000 -4.168E-01 X I 5.4000 -4.023E-01 X I 5.6000 -3.870E-01 X I 5.8000 -3.711E-01 X I 6.0000 -3.547E-01 X I 6.2000 -3.380E-01 X I 6.4000 -3.213E-01 X I 6.6000 -3.046E-01 X I 6.8000 -2.881E-01 X I 7.0000 -2.719E-01 X I 7.2000 -2.560E-01 X I 7.4000 -2.405E-01 X I 7.6000 -2.256E-01 X I 7.8000 -2.111E-01 X I 8.0000 -1.973E-01 X I 8.2000 -1.840E-01 X I 8.4000 -1.714E-01 X I 8.6000 -1.594E-01 X I 8.8000 -1.480E-01 X I 9.0000 -1.372E-01 X I 9.2000 -1.270E-01 X I 9.4000 -1.175E-01 X I 9.6000 -1.085E-01 X I 9.8000 -1.001E-01 X I 10.0000 -9.222E-02 X I 10.2500 -8.313E-02 X I 10.5000 -7.481E-02 X I 10.7500 -6.722E-02 X I 11.0000 -6.030E-02 X I 11.2500 -5.402E-02 X I 11.5000 -4.833E-02 X I 11.7500 -4.318E-02 X I 12.0000 -3.854E-02 X I 12.2500 -3.435E-02 X I 12.5000 -3.058E-02 X I 12.7500 -2.719E-02 X I 13.0000 -2.415E-02 X I 13.2500 -2.143E-02 X I 13.5000 -1.900E-02 X I 13.7500 -1.683E-02 X I 14.0000 -1.489E-02 X I 14.2500 -1.316E-02 X I 14.5000 -1.163E-02 XI 14.7500 -1.026E-02 XI 15.0000 -9.049E-03 XI 15.5000 -7.021E-03 XI 16.0000 -5.431E-03 XI 0.0 0.0 0.0 0.0 C d7 4s4d d7 4d 4d 176357.4 149357.4 FIXEDHF 27000.0 12 28.01 CONFIG=d7 4s4d d7 4d L=2 ELIM= 353965.700 N= 4 E= 176357.400 E= -1.61848600 Z=2.0000 L=2.0000 STEP=-.0500 NUM= 3000 NSAVE= 3000 IRREG=0 IFITER=99 NNODES= 1 NUMR 2461 NUMS 2461 NUML 2986 RS 27.013 RL 0.750 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 DEL -18.21979827 RSCALE 1.54500000 DEL -11.32299781 RSCALE 1.56014430 DEL -7.82999481 RSCALE 1.57543704 DEL -5.72315742 RSCALE 1.59087969 DEL -4.31603160 RSCALE 1.60647370 DEL -3.31097001 RSCALE 1.62222057 DEL -2.55801949 RSCALE 1.63812180 DEL -1.97343397 RSCALE 1.65417888 DEL -1.50677419 RSCALE 1.67039337 DEL -1.12585132 RSCALE 1.68676679 DEL -0.80915975 RSCALE 1.70330070 DEL -0.54178579 RSCALE 1.71999668 DEL -0.31306213 RSCALE 1.73685632 DEL -0.11515661 RSCALE 1.75388122 DEL -0.01255412 RSCALE 1.76378761 DEL -0.00056134 RSCALE 1.76499973 DEL -0.00000286 RSCALE 1.76505646 DEL 0.00000000 RSCALE 1.76505675 CNORM= 9.22171E-01 0.0500 1.790E-02 IX 0.1000 9.219E-02 I X 0.1500 2.022E-01 I X 0.2000 3.128E-01 I X 0.2500 3.989E-01 I X 0.3000 4.479E-01 I X 0.3500 4.569E-01 I X 0.4000 4.292E-01 I X 0.4500 3.710E-01 I X 0.5000 2.900E-01 I X 0.5500 1.932E-01 I X 0.6000 8.731E-02 I X 0.6500 -2.223E-02 XI 0.7000 -1.311E-01 X I 0.7500 -2.359E-01 X I 0.8000 -3.343E-01 X I 0.8500 -4.248E-01 X I 0.9000 -5.062E-01 X I 0.9500 -5.782E-01 X I 1.0000 -6.407E-01 X I 1.1000 -7.380E-01 X I 1.2000 -8.016E-01 X I 1.3000 -8.366E-01 X I 1.4000 -8.483E-01 X I 1.5000 -8.419E-01 X I 1.6000 -8.216E-01 X I 1.7000 -7.915E-01 X I 1.8000 -7.545E-01 X I 1.9000 -7.131E-01 X I 2.0000 -6.693E-01 X I 2.1000 -6.246E-01 X I 2.2000 -5.801E-01 X I 2.3000 -5.366E-01 X I 2.4000 -4.947E-01 X I 2.5000 -4.547E-01 X I 2.6000 -4.169E-01 X I 2.7000 -3.815E-01 X I 2.8000 -3.484E-01 X I 2.9000 -3.177E-01 X I 3.0000 -2.894E-01 X I 3.1000 -2.632E-01 X I 3.2000 -2.392E-01 X I 3.3000 -2.171E-01 X I 3.4000 -1.969E-01 X I 3.5000 -1.785E-01 X I 3.6000 -1.617E-01 X I 3.7000 -1.464E-01 X I 3.8000 -1.325E-01 X I 3.9000 -1.198E-01 X I 4.0000 -1.083E-01 X I 4.1000 -9.790E-02 X I 4.2000 -8.844E-02 X I 4.3000 -7.987E-02 X I 4.4000 -7.210E-02 X I 4.5000 -6.507E-02 X I 4.6000 -5.871E-02 X I 4.7000 -5.295E-02 X I 4.8000 -4.774E-02 X I 4.9000 -4.303E-02 X I 5.0000 -3.878E-02 X I 5.2000 -3.146E-02 X I 5.4000 -2.550E-02 X I 5.6000 -2.064E-02 XI 5.8000 -1.669E-02 XI 6.0000 -1.349E-02 XI 6.2000 -1.089E-02 XI 6.4000 -8.779E-03 XI 0.0 0.0 0.0 0.0 D d7 4s5d d7 4s 5d 199649.3 172649.3 FIXEDHF 27000.0 13 28.01 CONFIG=d7 4s5d d7 4s L=2 ELIM= 229263.300 N= 5 E= 199649.300 E= -0.26986264 Z=2.0000 L=2.0000 STEP=-.0500 NUM= 7700 NSAVE= 7700 IRREG=0 IFITER=99 NNODES= 2 NUMR 7161 NUMS 7161 NUML 7686 RS 27.013 RL 0.750 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 DEL -55.51622677 RSCALE 1.45631068 RMAX 1.47058563 RMIN -1.00000000 RSCALE 1.46344816 DEL -201.53795542 RSCALE 1.46344816 DEL -42.63072409 RSCALE 1.45359707 DEL -34.43755988 RSCALE 1.45095428 DEL -17.89244725 RSCALE 1.43984608 DEL -10.81141955 RSCALE 1.42783329 DEL -6.75006401 RSCALE 1.41397333 DEL -4.46295338 RSCALE 1.40024791 DEL -3.01574690 RSCALE 1.38665573 DEL -2.03001995 RSCALE 1.37319548 DEL -1.32372577 RSCALE 1.35986590 DEL -0.79866280 RSCALE 1.34666570 DEL -0.39732811 RSCALE 1.33359363 DEL -0.08398404 RSCALE 1.32065207 DEL -0.01128577 RSCALE 1.31718341 DEL -0.00037730 RSCALE 1.31664493 DEL -0.00000176 RSCALE 1.31662630 DEL 0.00000000 RSCALE 1.31662622 CNORM= 1.00602E+00 0.0500 2.619E-03 X 0.1000 1.377E-02 I X 0.1500 3.118E-02 I X 0.2000 5.036E-02 I X 0.2500 6.786E-02 I X 0.3000 8.164E-02 I X 0.3500 9.083E-02 I X 0.4000 9.530E-02 I X 0.4500 9.540E-02 I X 0.5000 9.167E-02 I X 0.5500 8.476E-02 I X 0.6000 7.529E-02 I X 0.6500 6.384E-02 I X 0.7000 5.095E-02 I X 0.7500 3.703E-02 I X 0.8000 2.247E-02 I X 0.8500 7.569E-03 IX 0.9000 -7.442E-03 XI 0.9500 -2.237E-02 X I 1.0000 -3.706E-02 X I 1.1000 -6.534E-02 X I 1.2000 -9.170E-02 X I 1.3000 -1.159E-01 X I 1.4000 -1.377E-01 X I 1.5000 -1.574E-01 X I 1.6000 -1.748E-01 X I 1.7000 -1.903E-01 X I 1.8000 -2.038E-01 X I 1.9000 -2.155E-01 X I 2.0000 -2.255E-01 X I 2.1000 -2.340E-01 X I 2.2000 -2.410E-01 X I 2.3000 -2.466E-01 X I 2.4000 -2.509E-01 X I 2.5000 -2.538E-01 X I 2.6000 -2.556E-01 X I 2.7000 -2.562E-01 X I 2.8000 -2.556E-01 X I 2.9000 -2.540E-01 X I 3.0000 -2.512E-01 X I 3.1000 -2.475E-01 X I 3.2000 -2.427E-01 X I 3.3000 -2.370E-01 X I 3.4000 -2.303E-01 X I 3.5000 -2.227E-01 X I 3.6000 -2.143E-01 X I 3.7000 -2.051E-01 X I 3.8000 -1.951E-01 X I 3.9000 -1.844E-01 X I 4.0000 -1.730E-01 X I 4.1000 -1.610E-01 X I 4.2000 -1.485E-01 X I 4.3000 -1.354E-01 X I 4.4000 -1.219E-01 X I 4.5000 -1.080E-01 X I 4.6000 -9.377E-02 X I 4.7000 -7.921E-02 X I 4.8000 -6.441E-02 X I 4.9000 -4.941E-02 X I 5.0000 -3.427E-02 X I 5.2000 -3.725E-03 XI 5.4000 2.686E-02 I X 5.6000 5.716E-02 I X 5.8000 8.689E-02 I X 6.0000 1.158E-01 I X 6.2000 1.436E-01 I X 6.4000 1.702E-01 I X 6.6000 1.953E-01 I X 6.8000 2.189E-01 I X 7.0000 2.409E-01 I X 7.2000 2.611E-01 I X 7.4000 2.796E-01 I X 7.6000 2.962E-01 I X 7.8000 3.111E-01 I X 8.0000 3.242E-01 I X 8.2000 3.354E-01 I X 8.4000 3.450E-01 I X 8.6000 3.529E-01 I X 8.8000 3.592E-01 I X 9.0000 3.639E-01 I X 9.2000 3.672E-01 I X 9.4000 3.691E-01 I X 9.6000 3.697E-01 I X 9.8000 3.691E-01 I X 10.0000 3.674E-01 I X 10.2500 3.638E-01 I X 10.5000 3.587E-01 I X 10.7500 3.524E-01 I X 11.0000 3.450E-01 I X 11.2500 3.366E-01 I X 11.5000 3.275E-01 I X 11.7500 3.176E-01 I X 12.0000 3.072E-01 I X 12.2500 2.964E-01 I X 12.5000 2.853E-01 I X 12.7500 2.740E-01 I X 13.0000 2.626E-01 I X 13.2500 2.511E-01 I X 13.5000 2.396E-01 I X 13.7500 2.283E-01 I X 14.0000 2.171E-01 I X 14.2500 2.061E-01 I X 14.5000 1.953E-01 I X 14.7500 1.849E-01 I X 15.0000 1.747E-01 I X 15.5000 1.553E-01 I X 16.0000 1.374E-01 I X 16.5000 1.209E-01 I X 17.0000 1.059E-01 I X 17.5000 9.243E-02 I X 18.0000 8.032E-02 I X 18.5000 6.955E-02 I X 19.0000 6.001E-02 I X 19.5000 5.162E-02 I X 20.0000 4.426E-02 I X 20.5000 3.784E-02 I X 21.0000 3.226E-02 I X 21.5000 2.744E-02 I X 22.0000 2.328E-02 I X 22.5000 1.970E-02 I X 23.0000 1.664E-02 I X 23.5000 1.402E-02 I X 24.0000 1.179E-02 I X 24.5000 9.896E-03 IX 25.0000 8.291E-03 IX 25.5000 6.934E-03 IX 26.0000 5.790E-03 IX 26.5000 4.826E-03 IX 27.0000 4.017E-03 IX 0.0 0.0 0.0 0.0 E d7 4s6d d7 4s 6d 209691.0 182691.0 FIXEDHF 27000.0 14 28.01 CONFIG=d7 4s6d d7 4s L=2 ELIM= 229263.300 N= 6 E= 209691.000 E= -0.17835593 Z=2.0000 L=2.0000 STEP=-.0500 NUM= 9600 NSAVE= 9600 IRREG=0 IFITER=99 NNODES= 3 NUMR 9061 NUMS 9061 NUML 9586 RS 27.013 RL 0.750 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 DEL -33.63988459 RSCALE 1.45631068 RMAX 1.47058563 RMIN -1.00000000 RSCALE 1.46344816 RMAX 1.46344816 RMIN -1.00000000 RSCALE 1.45987942 DEL -72.85172529 RSCALE 1.45987942 DEL -22.31955306 RSCALE 1.45324905 DEL -16.51572346 RSCALE 1.45032049 DEL -8.76915442 RSCALE 1.44198679 DEL -5.09997320 RSCALE 1.43255300 DEL -2.65270213 RSCALE 1.41944053 DEL -1.30699315 RSCALE 1.40566204 DEL -0.51893668 RSCALE 1.39227995 DEL -0.15290325 RSCALE 1.38346783 DEL -0.02474750 RSCALE 1.37978674 DEL -0.00141459 RSCALE 1.37907590 DEL -0.00001394 RSCALE 1.37903280 DEL -0.00000001 RSCALE 1.37903237 CNORM= 1.00176E+00 0.0500 2.267E-03 X 0.1000 1.188E-02 I X 0.1500 2.674E-02 I X 0.2000 4.286E-02 I X 0.2500 5.720E-02 I X 0.3000 6.800E-02 I X 0.3500 7.456E-02 I X 0.4000 7.686E-02 I X 0.4500 7.527E-02 I X 0.5000 7.035E-02 I X 0.5500 6.272E-02 I X 0.6000 5.299E-02 I X 0.6500 4.171E-02 I X 0.7000 2.936E-02 I X 0.7500 1.636E-02 I X 0.8000 3.025E-03 IX 0.8500 -1.036E-02 X I 0.9000 -2.360E-02 X I 0.9500 -3.651E-02 X I 1.0000 -4.899E-02 X I 1.1000 -7.230E-02 X I 1.2000 -9.311E-02 X I 1.3000 -1.113E-01 X I 1.4000 -1.268E-01 X I 1.5000 -1.398E-01 X I 1.6000 -1.505E-01 X I 1.7000 -1.590E-01 X I 1.8000 -1.655E-01 X I 1.9000 -1.702E-01 X I 2.0000 -1.732E-01 X I 2.1000 -1.747E-01 X I 2.2000 -1.748E-01 X I 2.3000 -1.736E-01 X I 2.4000 -1.711E-01 X I 2.5000 -1.676E-01 X I 2.6000 -1.630E-01 X I 2.7000 -1.575E-01 X I 2.8000 -1.511E-01 X I 2.9000 -1.439E-01 X I 3.0000 -1.359E-01 X I 3.1000 -1.272E-01 X I 3.2000 -1.179E-01 X I 3.3000 -1.080E-01 X I 3.4000 -9.752E-02 X I 3.5000 -8.661E-02 X I 3.6000 -7.528E-02 X I 3.7000 -6.360E-02 X I 3.8000 -5.162E-02 X I 3.9000 -3.941E-02 X I 4.0000 -2.702E-02 X I 4.1000 -1.451E-02 X I 4.2000 -1.932E-03 X 4.3000 1.065E-02 I X 4.4000 2.319E-02 I X 4.5000 3.563E-02 I X 4.6000 4.793E-02 I X 4.7000 6.003E-02 I X 4.8000 7.189E-02 I X 4.9000 8.346E-02 I X 5.0000 9.471E-02 I X 5.2000 1.161E-01 I X 5.4000 1.358E-01 I X 5.6000 1.535E-01 I X 5.8000 1.691E-01 I X 6.0000 1.825E-01 I X 6.2000 1.936E-01 I X 6.4000 2.022E-01 I X 6.6000 2.084E-01 I X 6.8000 2.122E-01 I X 7.0000 2.136E-01 I X 7.2000 2.127E-01 I X 7.4000 2.096E-01 I X 7.6000 2.044E-01 I X 7.8000 1.971E-01 I X 8.0000 1.881E-01 I X 8.2000 1.773E-01 I X 8.4000 1.649E-01 I X 8.6000 1.511E-01 I X 8.8000 1.361E-01 I X 9.0000 1.200E-01 I X 9.2000 1.030E-01 I X 9.4000 8.524E-02 I X 9.6000 6.686E-02 I X 9.8000 4.801E-02 I X 10.0000 2.883E-02 I X 10.2500 4.618E-03 IX 10.5000 -1.964E-02 X I 10.7500 -4.372E-02 X I 11.0000 -6.742E-02 X I 11.2500 -9.054E-02 X I 11.5000 -1.129E-01 X I 11.7500 -1.345E-01 X I 12.0000 -1.550E-01 X I 12.2500 -1.744E-01 X I 12.5000 -1.927E-01 X I 12.7500 -2.097E-01 X I 13.0000 -2.254E-01 X I 13.2500 -2.398E-01 X I 13.5000 -2.528E-01 X I 13.7500 -2.646E-01 X I 14.0000 -2.749E-01 X I 14.2500 -2.840E-01 X I 14.5000 -2.918E-01 X I 14.7500 -2.983E-01 X I 15.0000 -3.036E-01 X I 15.5000 -3.107E-01 X I 16.0000 -3.136E-01 X I 16.5000 -3.127E-01 X I 17.0000 -3.086E-01 X I 17.5000 -3.016E-01 X I 18.0000 -2.923E-01 X I 18.5000 -2.812E-01 X I 19.0000 -2.686E-01 X I 19.5000 -2.550E-01 X I 20.0000 -2.407E-01 X I 20.5000 -2.260E-01 X I 21.0000 -2.111E-01 X I 21.5000 -1.964E-01 X I 22.0000 -1.818E-01 X I 22.5000 -1.677E-01 X I 23.0000 -1.541E-01 X I 23.5000 -1.411E-01 X I 24.0000 -1.288E-01 X I 24.5000 -1.172E-01 X I 25.0000 -1.063E-01 X I 25.5000 -9.612E-02 X I 26.0000 -8.671E-02 X I 26.5000 -7.803E-02 X I 27.0000 -7.004E-02 X I 27.5000 -6.273E-02 X I 28.0000 -5.606E-02 X I 28.5000 -4.999E-02 X I 29.0000 -4.449E-02 X I 29.5000 -3.952E-02 X I 30.0000 -3.504E-02 X I 31.0000 -2.741E-02 X I 32.0000 -2.129E-02 X I 33.0000 -1.644E-02 X I 34.0000 -1.263E-02 X I 35.0000 -9.647E-03 X I 36.0000 -7.334E-03 XI 37.0000 -5.550E-03 XI 38.0000 -4.182E-03 XI 39.0000 -3.138E-03 XI 0.0 0.0 0.0 0.0 F d7 4s7d d7 4s 7d 215072.5 188072.5 FIXEDHF 27000.0 15 28.01 CONFIG=d7 4s7d d7 4s L=2 ELIM= 229263.300 N= 7 E= 215072.500 E= -0.12931609 Z=2.0000 L=2.0000 STEP=-.0500 NUM= 11500 NSAVE=11500 IRREG=0 IFITER=99 NNODES= 4 NUMR 10961 NUMS 10961 NUML 11486 RS 27.013 RL 0.750 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.50000000 RMIN 1.45631068 RSCALE 1.47815534 DEL 0.66370756 RSCALE 1.47815534 DEL -10.22205531 RSCALE 1.46380691 DEL 0.56700275 RSCALE 1.47728051 DEL 0.48061432 RSCALE 1.47657243 DEL -0.19889660 RSCALE 1.47263306 DEL 0.04486661 RSCALE 1.47378613 DEL 0.00348248 RSCALE 1.47357390 DEL -0.00006649 RSCALE 1.47355604 DEL -0.00000009 RSCALE 1.47355638 DEL -0.00000009 RSCALE 1.47355638 DEL 0.00000307 RSCALE 1.47355639 DEL -0.00000007 RSCALE 1.47355638 DEL -0.00000001 RSCALE 1.47355638 DEL 0.00000000 RSCALE 1.47355638 CNORM= 9.98500E-01 0.0500 1.920E-03 X 0.1000 1.000E-02 I X 0.1500 2.234E-02 I X 0.2000 3.544E-02 I X 0.2500 4.666E-02 I X 0.3000 5.454E-02 I X 0.3500 5.856E-02 I X 0.4000 5.880E-02 I X 0.4500 5.569E-02 I X 0.5000 4.978E-02 I X 0.5500 4.170E-02 I X 0.6000 3.203E-02 I X 0.6500 2.128E-02 I X 0.7000 9.912E-03 I X 0.7500 -1.719E-03 X 0.8000 -1.332E-02 X I 0.8500 -2.465E-02 X I 0.9000 -3.555E-02 X I 0.9500 -4.589E-02 X I 1.0000 -5.557E-02 X I 1.1000 -7.278E-02 X I 1.2000 -8.697E-02 X I 1.3000 -9.818E-02 X I 1.4000 -1.066E-01 X I 1.5000 -1.124E-01 X I 1.6000 -1.159E-01 X I 1.7000 -1.173E-01 X I 1.8000 -1.170E-01 X I 1.9000 -1.150E-01 X I 2.0000 -1.116E-01 X I 2.1000 -1.070E-01 X I 2.2000 -1.014E-01 X I 2.3000 -9.480E-02 X I 2.4000 -8.743E-02 X I 2.5000 -7.939E-02 X I 2.6000 -7.077E-02 X I 2.7000 -6.165E-02 X I 2.8000 -5.213E-02 X I 2.9000 -4.227E-02 X I 3.0000 -3.216E-02 X I 3.1000 -2.186E-02 X I 3.2000 -1.143E-02 X I 3.3000 -9.348E-04 X 3.4000 9.564E-03 I X 3.5000 2.001E-02 I X 3.6000 3.035E-02 I X 3.7000 4.053E-02 I X 3.8000 5.051E-02 I X 3.9000 6.023E-02 I X 4.0000 6.964E-02 I X 4.1000 7.871E-02 I X 4.2000 8.740E-02 I X 4.3000 9.566E-02 I X 4.4000 1.035E-01 I X 4.5000 1.108E-01 I X 4.6000 1.176E-01 I X 4.7000 1.239E-01 I X 4.8000 1.296E-01 I X 4.9000 1.347E-01 I X 5.0000 1.393E-01 I X 5.2000 1.466E-01 I X 5.4000 1.514E-01 I X 5.6000 1.538E-01 I X 5.8000 1.538E-01 I X 6.0000 1.514E-01 I X 6.2000 1.468E-01 I X 6.4000 1.401E-01 I X 6.6000 1.314E-01 I X 6.8000 1.210E-01 I X 7.0000 1.089E-01 I X 7.2000 9.547E-02 I X 7.4000 8.084E-02 I X 7.6000 6.523E-02 I X 7.8000 4.886E-02 I X 8.0000 3.194E-02 I X 8.2000 1.465E-02 I X 8.4000 -2.785E-03 XI 8.6000 -2.020E-02 X I 8.8000 -3.740E-02 X I 9.0000 -5.424E-02 X I 9.2000 -7.056E-02 X I 9.4000 -8.621E-02 X I 9.6000 -1.011E-01 X I 9.8000 -1.150E-01 X I 10.0000 -1.280E-01 X I 10.2500 -1.427E-01 X I 10.5000 -1.556E-01 X I 10.7500 -1.666E-01 X I 11.0000 -1.755E-01 X I 11.2500 -1.825E-01 X I 11.5000 -1.874E-01 X I 11.7500 -1.903E-01 X I 12.0000 -1.912E-01 X I 12.2500 -1.902E-01 X I 12.5000 -1.873E-01 X I 12.7500 -1.826E-01 X I 13.0000 -1.762E-01 X I 13.2500 -1.683E-01 X I 13.5000 -1.589E-01 X I 13.7500 -1.481E-01 X I 14.0000 -1.362E-01 X I 14.2500 -1.232E-01 X I 14.5000 -1.093E-01 X I 14.7500 -9.452E-02 X I 15.0000 -7.910E-02 X I 15.5000 -4.674E-02 X I 16.0000 -1.316E-02 X I 16.5000 2.075E-02 I X 17.0000 5.419E-02 I X 17.5000 8.650E-02 I X 18.0000 1.171E-01 I X 18.5000 1.455E-01 I X 19.0000 1.714E-01 I X 19.5000 1.946E-01 I X 20.0000 2.148E-01 I X 20.5000 2.320E-01 I X 21.0000 2.463E-01 I X 21.5000 2.576E-01 I X 22.0000 2.662E-01 I X 22.5000 2.720E-01 I X 23.0000 2.754E-01 I X 23.5000 2.765E-01 I X 24.0000 2.755E-01 I X 24.5000 2.726E-01 I X 25.0000 2.681E-01 I X 25.5000 2.623E-01 I X 26.0000 2.552E-01 I X 26.5000 2.471E-01 I X 27.0000 2.382E-01 I X 27.5000 2.286E-01 I X 28.0000 2.186E-01 I X 28.5000 2.083E-01 I X 29.0000 1.978E-01 I X 29.5000 1.872E-01 I X 30.0000 1.766E-01 I X 31.0000 1.559E-01 I X 32.0000 1.362E-01 I X 33.0000 1.178E-01 I X 34.0000 1.011E-01 I X 35.0000 8.603E-02 I X 36.0000 7.269E-02 I X 37.0000 6.101E-02 I X 38.0000 5.088E-02 I X 39.0000 4.219E-02 I X 40.0000 3.480E-02 I X 41.0000 2.855E-02 I X 42.0000 2.332E-02 I X 43.0000 1.896E-02 I X 44.0000 1.535E-02 I X 45.0000 1.237E-02 I X 46.0000 9.941E-03 I X 47.0000 7.957E-03 I X 48.0000 6.348E-03 IX 49.0000 5.048E-03 IX 50.0000 4.001E-03 IX 0.0 0.0 0.0 0.0 G d7 4s8d d7 4s 8d 218304.5 191304.5 FIXEDHF 27000.0 16 28.01 CONFIG=d7 4s8d d7 4s L=2 ELIM= 229263.300 N= 8 E= 218304.500 E= -0.09986394 Z=2.0000 L=2.0000 STEP=-.0500 NUM= 13300 NSAVE=13300 IRREG=0 IFITER=99 NNODES= 5 NUMR 12761 NUMS 12761 NUML 13286 RS 27.013 RL 0.750 DEL -8.09415517 RSCALE 1.50000000 DEL -5.34119785 RSCALE 1.51470320 DEL -3.74947097 RSCALE 1.52955052 DEL -2.71144889 RSCALE 1.54454338 DEL -1.98047874 RSCALE 1.55968321 DEL -1.43745662 RSCALE 1.57497143 DEL -1.01781472 RSCALE 1.59040951 DEL -0.68351022 RSCALE 1.60599892 DEL -0.41067002 RSCALE 1.62174113 DEL -0.18355317 RSCALE 1.63763766 DEL -0.02720084 RSCALE 1.65048504 DEL -0.00208187 RSCALE 1.65272012 DEL -0.00002549 RSCALE 1.65290536 DEL -0.00000003 RSCALE 1.65290766 DEL 0.00000000 RSCALE 1.65290766 CNORM= 9.98194E-01 0.0500 1.499E-03 X 0.1000 7.747E-03 I X 0.1500 1.708E-02 I X 0.2000 2.661E-02 I X 0.2500 3.423E-02 I X 0.3000 3.884E-02 I X 0.3500 4.015E-02 I X 0.4000 3.837E-02 I X 0.4500 3.396E-02 I X 0.5000 2.752E-02 I X 0.5500 1.963E-02 I X 0.6000 1.082E-02 I X 0.6500 1.576E-03 X 0.7000 -7.735E-03 X I 0.7500 -1.681E-02 X I 0.8000 -2.541E-02 X I 0.8500 -3.339E-02 X I 0.9000 -4.062E-02 X I 0.9500 -4.704E-02 X I 1.0000 -5.261E-02 X I 1.1000 -6.119E-02 X I 1.2000 -6.650E-02 X I 1.3000 -6.883E-02 X I 1.4000 -6.857E-02 X I 1.5000 -6.613E-02 X I 1.6000 -6.187E-02 X I 1.7000 -5.614E-02 X I 1.8000 -4.925E-02 X I 1.9000 -4.146E-02 X I 2.0000 -3.300E-02 X I 2.1000 -2.407E-02 X I 2.2000 -1.482E-02 X I 2.3000 -5.391E-03 XI 2.4000 4.094E-03 IX 2.5000 1.354E-02 I X 2.6000 2.286E-02 I X 2.7000 3.199E-02 I X 2.8000 4.086E-02 I X 2.9000 4.942E-02 I X 3.0000 5.762E-02 I X 3.1000 6.542E-02 I X 3.2000 7.279E-02 I X 3.3000 7.969E-02 I X 3.4000 8.610E-02 I X 3.5000 9.199E-02 I X 3.6000 9.735E-02 I X 3.7000 1.021E-01 I X 3.8000 1.064E-01 I X 3.9000 1.100E-01 I X 4.0000 1.131E-01 I X 4.1000 1.155E-01 I X 4.2000 1.174E-01 I X 4.3000 1.186E-01 I X 4.4000 1.193E-01 I X 4.5000 1.193E-01 I X 4.6000 1.188E-01 I X 4.7000 1.177E-01 I X 4.8000 1.160E-01 I X 4.9000 1.138E-01 I X 5.0000 1.111E-01 I X 5.2000 1.040E-01 I X 5.4000 9.517E-02 I X 5.6000 8.464E-02 I X 5.8000 7.268E-02 I X 6.0000 5.952E-02 I X 6.2000 4.541E-02 I X 6.4000 3.059E-02 I X 6.6000 1.531E-02 I X 6.8000 -1.953E-04 X 7.0000 -1.570E-02 X I 7.2000 -3.099E-02 X I 7.4000 -4.585E-02 X I 7.6000 -6.012E-02 X I 7.8000 -7.360E-02 X I 8.0000 -8.617E-02 X I 8.2000 -9.768E-02 X I 8.4000 -1.080E-01 X I 8.6000 -1.171E-01 X I 8.8000 -1.249E-01 X I 9.0000 -1.312E-01 X I 9.2000 -1.362E-01 X I 9.4000 -1.397E-01 X I 9.6000 -1.418E-01 X I 9.8000 -1.424E-01 X I 10.0000 -1.417E-01 X I 10.2500 -1.389E-01 X I 10.5000 -1.340E-01 X I 10.7500 -1.272E-01 X I 11.0000 -1.187E-01 X I 11.2500 -1.086E-01 X I 11.5000 -9.712E-02 X I 11.7500 -8.437E-02 X I 12.0000 -7.059E-02 X I 12.2500 -5.597E-02 X I 12.5000 -4.069E-02 X I 12.7500 -2.495E-02 X I 13.0000 -8.930E-03 X I 13.2500 7.185E-03 I X 13.5000 2.323E-02 I X 13.7500 3.903E-02 I X 14.0000 5.445E-02 I X 14.2500 6.934E-02 I X 14.5000 8.357E-02 I X 14.7500 9.704E-02 I X 15.0000 1.096E-01 I X 15.5000 1.319E-01 I X 16.0000 1.497E-01 I X 16.5000 1.629E-01 I X 17.0000 1.711E-01 I X 17.5000 1.745E-01 I X 18.0000 1.731E-01 I X 18.5000 1.672E-01 I X 19.0000 1.572E-01 I X 19.5000 1.435E-01 I X 20.0000 1.266E-01 I X 20.5000 1.070E-01 I X 21.0000 8.519E-02 I X 21.5000 6.178E-02 I X 22.0000 3.724E-02 I X 22.5000 1.205E-02 I X 23.0000 -1.334E-02 X I 23.5000 -3.852E-02 X I 24.0000 -6.314E-02 X I 24.5000 -8.687E-02 X I 25.0000 -1.094E-01 X I 25.5000 -1.306E-01 X I 26.0000 -1.503E-01 X I 26.5000 -1.682E-01 X I 27.0000 -1.844E-01 X I 27.5000 -1.987E-01 X I 28.0000 -2.112E-01 X I 28.5000 -2.217E-01 X I 29.0000 -2.305E-01 X I 29.5000 -2.375E-01 X I 30.0000 -2.427E-01 X I 31.0000 -2.485E-01 X I 32.0000 -2.485E-01 X I 33.0000 -2.438E-01 X I 34.0000 -2.352E-01 X I 35.0000 -2.236E-01 X I 36.0000 -2.099E-01 X I 37.0000 -1.948E-01 X I 38.0000 -1.790E-01 X I 39.0000 -1.629E-01 X I 40.0000 -1.470E-01 X I 41.0000 -1.316E-01 X I 42.0000 -1.170E-01 X I 43.0000 -1.033E-01 X I 44.0000 -9.069E-02 X I 45.0000 -7.914E-02 X I 46.0000 -6.870E-02 X I 47.0000 -5.933E-02 X I 48.0000 -5.100E-02 X I 49.0000 -4.365E-02 X I 50.0000 -3.719E-02 X I 52.0000 -2.670E-02 X I 54.0000 -1.889E-02 X I 56.0000 -1.320E-02 X I 58.0000 -9.109E-03 X I 60.0000 -6.221E-03 XI 62.0000 -4.207E-03 XI 64.0000 -2.819E-03 XI 0.0 0.0 0.0 0.0 H d7 4s9d d7 4s 9d 220397.2 193397.2 FIXEDHF 27000.0 17 28.01 CONFIG=d7 4s9d d7 4s L=2 ELIM= 229263.300 N= 9 E= 220397.200 E= -0.08079385 Z=2.0000 L=2.0000 STEP=-.0500 NUM= 15000 NSAVE=15000 IRREG=0 IFITER=99 NNODES= 6 NUMR 14461 NUMS 14461 NUML 14986 RS 27.013 RL 0.750 DEL -180.75824624 RSCALE 1.50000000 DEL -94.77399722 RSCALE 1.51470320 DEL -58.04789025 RSCALE 1.52955052 DEL -39.00908561 RSCALE 1.54454338 DEL -27.86827224 RSCALE 1.55968321 DEL -20.78306378 RSCALE 1.57497143 DEL -15.99436174 RSCALE 1.59040951 DEL -12.60385054 RSCALE 1.60599892 DEL -10.11362686 RSCALE 1.62174113 DEL -8.22952734 RSCALE 1.63763766 DEL -6.76862198 RSCALE 1.65369000 DEL -5.61226535 RSCALE 1.66989969 DEL -4.68075063 RSCALE 1.68626827 DEL -3.91890668 RSCALE 1.70279730 DEL -3.28755190 RSCALE 1.71948835 DEL -2.75823183 RSCALE 1.73634300 DEL -2.30987353 RSCALE 1.75336287 DEL -1.92659777 RSCALE 1.77054957 DEL -1.59625279 RSCALE 1.78790473 DEL -1.30940959 RSCALE 1.80543001 DEL -1.05865986 RSCALE 1.82312708 DEL -0.83811663 RSCALE 1.84099762 DEL -0.64305335 RSCALE 1.85904332 DEL -0.46963911 RSCALE 1.87726591 DEL -0.31474192 RSCALE 1.89566713 DEL -0.17578063 RSCALE 1.91424871 DEL -0.05061222 RSCALE 1.93301243 DEL -0.00381269 RSCALE 1.94059960 DEL -0.00008983 RSCALE 1.94121771 DEL -0.00000016 RSCALE 1.94123263 DEL 0.00000000 RSCALE 1.94123266 CNORM= 9.99097E-01 0.0500 1.472E-03 X 0.1000 7.528E-03 I X 0.1500 1.631E-02 I X 0.2000 2.482E-02 I X 0.2500 3.092E-02 I X 0.3000 3.364E-02 I X 0.3500 3.285E-02 I X 0.4000 2.896E-02 I X 0.4500 2.264E-02 I X 0.5000 1.465E-02 I X 0.5500 5.701E-03 IX 0.6000 -3.586E-03 XI 0.6500 -1.270E-02 X I 0.7000 -2.125E-02 X I 0.7500 -2.896E-02 X I 0.8000 -3.563E-02 X I 0.8500 -4.116E-02 X I 0.9000 -4.550E-02 X I 0.9500 -4.865E-02 X I 1.0000 -5.064E-02 X I 1.1000 -5.143E-02 X I 1.2000 -4.852E-02 X I 1.3000 -4.267E-02 X I 1.4000 -3.461E-02 X I 1.5000 -2.503E-02 X I 1.6000 -1.449E-02 X I 1.7000 -3.459E-03 XI 1.8000 7.677E-03 I X 1.9000 1.862E-02 I X 2.0000 2.915E-02 I X 2.1000 3.910E-02 I X 2.2000 4.834E-02 I X 2.3000 5.679E-02 I X 2.4000 6.441E-02 I X 2.5000 7.115E-02 I X 2.6000 7.700E-02 I X 2.7000 8.198E-02 I X 2.8000 8.608E-02 I X 2.9000 8.932E-02 I X 3.0000 9.174E-02 I X 3.1000 9.335E-02 I X 3.2000 9.419E-02 I X 3.3000 9.429E-02 I X 3.4000 9.370E-02 I X 3.5000 9.243E-02 I X 3.6000 9.053E-02 I X 3.7000 8.803E-02 I X 3.8000 8.497E-02 I X 3.9000 8.139E-02 I X 4.0000 7.733E-02 I X 4.1000 7.282E-02 I X 4.2000 6.789E-02 I X 4.3000 6.259E-02 I X 4.4000 5.695E-02 I X 4.5000 5.101E-02 I X 4.6000 4.481E-02 I X 4.7000 3.837E-02 I X 4.8000 3.174E-02 I X 4.9000 2.496E-02 I X 5.0000 1.805E-02 I X 5.2000 4.019E-03 IX 5.4000 -1.009E-02 X I 5.6000 -2.402E-02 X I 5.8000 -3.753E-02 X I 6.0000 -5.039E-02 X I 6.2000 -6.241E-02 X I 6.4000 -7.342E-02 X I 6.6000 -8.325E-02 X I 6.8000 -9.180E-02 X I 7.0000 -9.897E-02 X I 7.2000 -1.047E-01 X I 7.4000 -1.089E-01 X I 7.6000 -1.116E-01 X I 7.8000 -1.127E-01 X I 8.0000 -1.124E-01 X I 8.2000 -1.106E-01 X I 8.4000 -1.074E-01 X I 8.6000 -1.028E-01 X I 8.8000 -9.705E-02 X I 9.0000 -9.012E-02 X I 9.2000 -8.214E-02 X I 9.4000 -7.323E-02 X I 9.6000 -6.352E-02 X I 9.8000 -5.311E-02 X I 10.0000 -4.214E-02 X I 10.2500 -2.783E-02 X I 10.5000 -1.308E-02 X I 10.7500 1.870E-03 X 11.0000 1.679E-02 I X 11.2500 3.147E-02 I X 11.5000 4.571E-02 I X 11.7500 5.931E-02 I X 12.0000 7.212E-02 I X 12.2500 8.397E-02 I X 12.5000 9.475E-02 I X 12.7500 1.043E-01 I X 13.0000 1.126E-01 I X 13.2500 1.196E-01 I X 13.5000 1.252E-01 I X 13.7500 1.293E-01 I X 14.0000 1.320E-01 I X 14.2500 1.333E-01 I X 14.5000 1.331E-01 I X 14.7500 1.316E-01 I X 15.0000 1.287E-01 I X 15.5000 1.192E-01 I X 16.0000 1.052E-01 I X 16.5000 8.728E-02 I X 17.0000 6.637E-02 I X 17.5000 4.323E-02 I X 18.0000 1.870E-02 I X 18.5000 -6.399E-03 X I 19.0000 -3.132E-02 X I 19.5000 -5.536E-02 X I 20.0000 -7.791E-02 X I 20.5000 -9.843E-02 X I 21.0000 -1.165E-01 X I 21.5000 -1.318E-01 X I 22.0000 -1.440E-01 X I 22.5000 -1.531E-01 X I 23.0000 -1.589E-01 X I 23.5000 -1.615E-01 X I 24.0000 -1.609E-01 X I 24.5000 -1.572E-01 X I 25.0000 -1.508E-01 X I 25.5000 -1.417E-01 X I 26.0000 -1.302E-01 X I 26.5000 -1.167E-01 X I 27.0000 -1.013E-01 X I 27.5000 -8.448E-02 X I 28.0000 -6.644E-02 X I 28.5000 -4.749E-02 X I 29.0000 -2.793E-02 X I 29.5000 -8.009E-03 X I 30.0000 1.201E-02 I X 31.0000 5.141E-02 I X 32.0000 8.869E-02 I X 33.0000 1.226E-01 I X 34.0000 1.523E-01 I X 35.0000 1.771E-01 I X 36.0000 1.969E-01 I X 37.0000 2.117E-01 I X 38.0000 2.216E-01 I X 39.0000 2.271E-01 I X 40.0000 2.285E-01 I X 41.0000 2.263E-01 I X 42.0000 2.212E-01 I X 43.0000 2.137E-01 I X 44.0000 2.042E-01 I X 45.0000 1.932E-01 I X 46.0000 1.813E-01 I X 47.0000 1.688E-01 I X 48.0000 1.560E-01 I X 49.0000 1.432E-01 I X 50.0000 1.306E-01 I X 52.0000 1.069E-01 I X 54.0000 8.570E-02 I X 56.0000 6.749E-02 I X 58.0000 5.230E-02 I X 60.0000 3.995E-02 I X 62.0000 3.013E-02 I X 64.0000 2.245E-02 I X 66.0000 1.654E-02 I X 68.0000 1.207E-02 I X 70.0000 8.729E-03 I X 72.0000 6.257E-03 I X 74.0000 4.450E-03 IX 76.0000 3.142E-03 IX 0.0 0.0 0.0 0.0 I d7 4s10d d7 4s 10d 221832.5 194832.5 FIXEDHF 27000.0 18 28.01 CONFIG=d7 4s10d d7 4s L=2 ELIM= 229263.300 N=10 E= 221832.500 E= -0.06771444 Z=2.0000 L=2.0000 STEP=-.0500 NUM= 16600 NSAVE=16600 IRREG=0 IFITER=99 NNODES= 7 NUMR 16061 NUMS 16061 NUML 16586 RS 27.013 RL 0.750 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 RMAX -1.00000000 RMIN 1.54500000 RSCALE 1.59135000 RMAX -1.00000000 RMIN 1.59135000 RSCALE 1.63909050 RMAX -1.00000000 RMIN 1.63909050 RSCALE 1.68826322 RMAX -1.00000000 RMIN 1.68826322 RSCALE 1.73891111 RMAX -1.00000000 RMIN 1.73891111 RSCALE 1.79107844 RMAX -1.00000000 RMIN 1.79107844 RSCALE 1.84481080 RMAX -1.00000000 RMIN 1.84481080 RSCALE 1.90015512 RMAX -1.00000000 RMIN 1.90015512 RSCALE 1.95715978 RMAX -1.00000000 RMIN 1.95715978 RSCALE 2.01587457 DEL -9.48675548 RSCALE 2.01587457 DEL -6.42187826 RSCALE 2.03563444 DEL -4.64384773 RSCALE 2.05558800 DEL -3.48423608 RSCALE 2.07573715 DEL -2.66917319 RSCALE 2.09608381 DEL -2.06566971 RSCALE 2.11662990 DEL -1.60135841 RSCALE 2.13737739 DEL -1.23349005 RSCALE 2.15832825 DEL -0.93519102 RSCALE 2.17948447 DEL -0.68872244 RSCALE 2.20084807 DEL -0.48190493 RSCALE 2.22242108 DEL -0.30610047 RSCALE 2.24420555 DEL -0.15501394 RSCALE 2.26620355 DEL -0.02395035 RSCALE 2.28841718 DEL -0.00199379 RSCALE 2.29247647 DEL -0.00002806 RSCALE 2.29284508 DEL -0.00000003 RSCALE 2.29285034 DEL 0.00000000 RSCALE 2.29285034 CNORM= 9.98433E-01 0.0500 1.359E-03 X 0.1000 6.882E-03 I X 0.1500 1.468E-02 I X 0.2000 2.182E-02 I X 0.2500 2.633E-02 I X 0.3000 2.739E-02 I X 0.3500 2.507E-02 I X 0.4000 1.997E-02 I X 0.4500 1.287E-02 I X 0.5000 4.642E-03 IX 0.5500 -3.963E-03 XI 0.6000 -1.231E-02 X I 0.6500 -1.991E-02 X I 0.7000 -2.642E-02 X I 0.7500 -3.165E-02 X I 0.8000 -3.547E-02 X I 0.8500 -3.789E-02 X I 0.9000 -3.893E-02 X I 0.9500 -3.869E-02 X I 1.0000 -3.729E-02 X I 1.1000 -3.156E-02 X I 1.2000 -2.291E-02 X I 1.3000 -1.245E-02 X I 1.4000 -1.126E-03 X 1.5000 1.027E-02 I X 1.6000 2.117E-02 I X 1.7000 3.114E-02 I X 1.8000 3.991E-02 I X 1.9000 4.731E-02 I X 2.0000 5.327E-02 I X 2.1000 5.777E-02 I X 2.2000 6.085E-02 I X 2.3000 6.257E-02 I X 2.4000 6.304E-02 I X 2.5000 6.235E-02 I X 2.6000 6.061E-02 I X 2.7000 5.793E-02 I X 2.8000 5.443E-02 I X 2.9000 5.021E-02 I X 3.0000 4.538E-02 I X 3.1000 4.002E-02 I X 3.2000 3.424E-02 I X 3.3000 2.812E-02 I X 3.4000 2.173E-02 I X 3.5000 1.514E-02 I X 3.6000 8.432E-03 I X 3.7000 1.650E-03 X 3.8000 -5.145E-03 XI 3.9000 -1.190E-02 X I 4.0000 -1.858E-02 X I 4.1000 -2.512E-02 X I 4.2000 -3.151E-02 X I 4.3000 -3.770E-02 X I 4.4000 -4.366E-02 X I 4.5000 -4.936E-02 X I 4.6000 -5.477E-02 X I 4.7000 -5.989E-02 X I 4.8000 -6.467E-02 X I 4.9000 -6.912E-02 X I 5.0000 -7.320E-02 X I 5.2000 -8.024E-02 X I 5.4000 -8.572E-02 X I 5.6000 -8.957E-02 X I 5.8000 -9.180E-02 X I 6.0000 -9.239E-02 X I 6.2000 -9.138E-02 X I 6.4000 -8.884E-02 X I 6.6000 -8.484E-02 X I 6.8000 -7.948E-02 X I 7.0000 -7.288E-02 X I 7.2000 -6.517E-02 X I 7.4000 -5.649E-02 X I 7.6000 -4.699E-02 X I 7.8000 -3.682E-02 X I 8.0000 -2.615E-02 X I 8.2000 -1.512E-02 X I 8.4000 -3.884E-03 XI 8.6000 7.399E-03 I X 8.8000 1.859E-02 I X 9.0000 2.955E-02 I X 9.2000 4.015E-02 I X 9.4000 5.028E-02 I X 9.6000 5.983E-02 I X 9.8000 6.870E-02 I X 10.0000 7.680E-02 I X 10.2500 8.575E-02 I X 10.5000 9.328E-02 I X 10.7500 9.930E-02 I X 11.0000 1.038E-01 I X 11.2500 1.066E-01 I X 11.5000 1.079E-01 I X 11.7500 1.076E-01 I X 12.0000 1.057E-01 I X 12.2500 1.024E-01 I X 12.5000 9.764E-02 I X 12.7500 9.160E-02 I X 13.0000 8.437E-02 I X 13.2500 7.605E-02 I X 13.5000 6.679E-02 I X 13.7500 5.671E-02 I X 14.0000 4.595E-02 I X 14.2500 3.466E-02 I X 14.5000 2.296E-02 I X 14.7500 1.101E-02 I X 15.0000 -1.060E-03 X 15.5000 -2.505E-02 X I 16.0000 -4.801E-02 X I 16.5000 -6.907E-02 X I 17.0000 -8.751E-02 X I 17.5000 -1.028E-01 X I 18.0000 -1.144E-01 X I 18.5000 -1.221E-01 X I 19.0000 -1.259E-01 X I 19.5000 -1.257E-01 X I 20.0000 -1.217E-01 X I 20.5000 -1.141E-01 X I 21.0000 -1.033E-01 X I 21.5000 -8.971E-02 X I 22.0000 -7.374E-02 X I 22.5000 -5.590E-02 X I 23.0000 -3.668E-02 X I 23.5000 -1.659E-02 X I 24.0000 3.876E-03 IX 24.5000 2.426E-02 I X 25.0000 4.413E-02 I X 25.5000 6.309E-02 I X 26.0000 8.080E-02 I X 26.5000 9.695E-02 I X 27.0000 1.113E-01 I X 27.5000 1.236E-01 I X 28.0000 1.338E-01 I X 28.5000 1.417E-01 I X 29.0000 1.474E-01 I X 29.5000 1.507E-01 I X 30.0000 1.517E-01 I X 31.0000 1.471E-01 I X 32.0000 1.344E-01 I X 33.0000 1.149E-01 I X 34.0000 8.980E-02 I X 35.0000 6.071E-02 I X 36.0000 2.910E-02 I X 37.0000 -3.664E-03 XI 38.0000 -3.631E-02 X I 39.0000 -6.775E-02 X I 40.0000 -9.712E-02 X I 41.0000 -1.237E-01 X I 42.0000 -1.471E-01 X I 43.0000 -1.670E-01 X I 44.0000 -1.831E-01 X I 45.0000 -1.956E-01 X I 46.0000 -2.046E-01 X I 47.0000 -2.102E-01 X I 48.0000 -2.127E-01 X I 49.0000 -2.124E-01 X I 50.0000 -2.098E-01 X I 52.0000 -1.985E-01 X I 54.0000 -1.817E-01 X I 56.0000 -1.617E-01 X I 58.0000 -1.406E-01 X I 60.0000 -1.197E-01 X I 62.0000 -1.000E-01 X I 64.0000 -8.223E-02 X I 66.0000 -6.663E-02 X I 68.0000 -5.329E-02 X I 70.0000 -4.210E-02 X I 72.0000 -3.290E-02 X I 74.0000 -2.546E-02 X I 76.0000 -1.951E-02 X I 78.0000 -1.482E-02 X I 80.0000 -1.117E-02 X I 82.0000 -8.359E-03 X I 84.0000 -6.209E-03 X I 86.0000 -4.582E-03 XI 88.0000 -3.361E-03 XI 90.0000 -2.451E-03 XI 0.0 0.0 0.0 0.0 J d7 4s11d d7 4s 11d 222857.5 195857.5 FIXEDHF 27000.0 19 28.01 CONFIG=d7 4s11d d7 4s L=2 ELIM= 229263.300 N=11 E= 222857.500 E= -0.05837395 Z=2.0000 L=2.0000 STEP=-.0500 NUM= 18100 NSAVE=18100 IRREG=0 IFITER=99 NNODES= 8 NUMR 17561 NUMS 17561 NUML 18086 RS 27.013 RL 0.750 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 RMAX -1.00000000 RMIN 1.54500000 RSCALE 1.59135000 RMAX -1.00000000 RMIN 1.59135000 RSCALE 1.63909050 RMAX -1.00000000 RMIN 1.63909050 RSCALE 1.68826322 RMAX -1.00000000 RMIN 1.68826322 RSCALE 1.73891111 RMAX -1.00000000 RMIN 1.73891111 RSCALE 1.79107844 RMAX -1.00000000 RMIN 1.79107844 RSCALE 1.84481080 RMAX -1.00000000 RMIN 1.84481080 RSCALE 1.90015512 RMAX -1.00000000 RMIN 1.90015512 RSCALE 1.95715978 RMAX -1.00000000 RMIN 1.95715978 RSCALE 2.01587457 RMAX -1.00000000 RMIN 2.01587457 RSCALE 2.07635081 RMAX -1.00000000 RMIN 2.07635081 RSCALE 2.13864133 RMAX -1.00000000 RMIN 2.13864133 RSCALE 2.20280057 RMAX -1.00000000 RMIN 2.20280057 RSCALE 2.26888459 RMAX -1.00000000 RMIN 2.26888459 RSCALE 2.33695112 RMAX -1.00000000 RMIN 2.33695112 RSCALE 2.40705966 RMAX -1.00000000 RMIN 2.40705966 RSCALE 2.47927145 RMAX -1.00000000 RMIN 2.47927145 RSCALE 2.55364959 RMAX -1.00000000 RMIN 2.55364959 RSCALE 2.63025908 RMAX -1.00000000 RMIN 2.63025908 RSCALE 2.70916685 DEL -2.20330834 RSCALE 2.70916685 DEL -0.98085547 RSCALE 2.73572247 DEL -0.47436966 RSCALE 2.75702981 DEL -0.16453560 RSCALE 2.77698606 DEL -0.03881016 RSCALE 2.78758371 DEL -0.00405528 RSCALE 2.79085510 DEL -0.00011133 RSCALE 2.79123681 DEL -0.00000033 RSCALE 2.79124759 DEL 0.00000000 RSCALE 2.79124762 CNORM= 9.98560E-01 0.0500 1.331E-03 X 0.1000 6.673E-03 I X 0.1500 1.399E-02 I X 0.2000 2.028E-02 I X 0.2500 2.359E-02 I X 0.3000 2.328E-02 I X 0.3500 1.960E-02 I X 0.4000 1.336E-02 I X 0.4500 5.558E-03 I X 0.5000 -2.837E-03 XI 0.5500 -1.099E-02 X I 0.6000 -1.824E-02 X I 0.6500 -2.416E-02 X I 0.7000 -2.849E-02 X I 0.7500 -3.111E-02 X I 0.8000 -3.204E-02 X I 0.8500 -3.140E-02 X I 0.9000 -2.933E-02 X I 0.9500 -2.606E-02 X I 1.0000 -2.181E-02 X I 1.1000 -1.124E-02 X I 1.2000 6.845E-04 X 1.3000 1.257E-02 I X 1.4000 2.338E-02 I X 1.5000 3.243E-02 I X 1.6000 3.931E-02 I X 1.7000 4.389E-02 I X 1.8000 4.617E-02 I X 1.9000 4.630E-02 I X 2.0000 4.450E-02 I X 2.1000 4.102E-02 I X 2.2000 3.616E-02 I X 2.3000 3.018E-02 I X 2.4000 2.336E-02 I X 2.5000 1.594E-02 I X 2.6000 8.144E-03 I X 2.7000 1.743E-04 X 2.8000 -7.801E-03 X I 2.9000 -1.564E-02 X I 3.0000 -2.321E-02 X I 3.1000 -3.042E-02 X I 3.2000 -3.719E-02 X I 3.3000 -4.345E-02 X I 3.4000 -4.916E-02 X I 3.5000 -5.428E-02 X I 3.6000 -5.879E-02 X I 3.7000 -6.268E-02 X I 3.8000 -6.593E-02 X I 3.9000 -6.856E-02 X I 4.0000 -7.057E-02 X I 4.1000 -7.197E-02 X I 4.2000 -7.278E-02 X I 4.3000 -7.302E-02 X I 4.4000 -7.271E-02 X I 4.5000 -7.187E-02 X I 4.6000 -7.054E-02 X I 4.7000 -6.874E-02 X I 4.8000 -6.649E-02 X I 4.9000 -6.383E-02 X I 5.0000 -6.079E-02 X I 5.2000 -5.367E-02 X I 5.4000 -4.537E-02 X I 5.6000 -3.612E-02 X I 5.8000 -2.616E-02 X I 6.0000 -1.569E-02 X I 6.2000 -4.936E-03 XI 6.4000 5.906E-03 I X 6.6000 1.665E-02 I X 6.8000 2.712E-02 I X 7.0000 3.715E-02 I X 7.2000 4.660E-02 I X 7.4000 5.535E-02 I X 7.6000 6.327E-02 I X 7.8000 7.026E-02 I X 8.0000 7.627E-02 I X 8.2000 8.121E-02 I X 8.4000 8.504E-02 I X 8.6000 8.775E-02 I X 8.8000 8.931E-02 I X 9.0000 8.974E-02 I X 9.2000 8.905E-02 I X 9.4000 8.727E-02 I X 9.6000 8.445E-02 I X 9.8000 8.064E-02 I X 10.0000 7.590E-02 I X 10.2500 6.879E-02 I X 10.5000 6.049E-02 I X 10.7500 5.118E-02 I X 11.0000 4.104E-02 I X 11.2500 3.024E-02 I X 11.5000 1.896E-02 I X 11.7500 7.400E-03 I X 12.0000 -4.273E-03 XI 12.2500 -1.589E-02 X I 12.5000 -2.727E-02 X I 12.7500 -3.828E-02 X I 13.0000 -4.876E-02 X I 13.2500 -5.860E-02 X I 13.5000 -6.767E-02 X I 13.7500 -7.587E-02 X I 14.0000 -8.312E-02 X I 14.2500 -8.935E-02 X I 14.5000 -9.451E-02 X I 14.7500 -9.855E-02 X I 15.0000 -1.015E-01 X I 15.5000 -1.038E-01 X I 16.0000 -1.016E-01 X I 16.5000 -9.522E-02 X I 17.0000 -8.495E-02 X I 17.5000 -7.137E-02 X I 18.0000 -5.511E-02 X I 18.5000 -3.684E-02 X I 19.0000 -1.729E-02 X I 19.5000 2.856E-03 IX 20.0000 2.291E-02 I X 20.5000 4.224E-02 I X 21.0000 6.029E-02 I X 21.5000 7.656E-02 I X 22.0000 9.064E-02 I X 22.5000 1.022E-01 I X 23.0000 1.110E-01 I X 23.5000 1.170E-01 I X 24.0000 1.200E-01 I X 24.5000 1.201E-01 I X 25.0000 1.173E-01 I X 25.5000 1.118E-01 I X 26.0000 1.038E-01 I X 26.5000 9.364E-02 I X 27.0000 8.147E-02 I X 27.5000 6.764E-02 I X 28.0000 5.247E-02 I X 28.5000 3.630E-02 I X 29.0000 1.945E-02 I X 29.5000 2.241E-03 IX 30.0000 -1.501E-02 X I 31.0000 -4.846E-02 X I 32.0000 -7.883E-02 X I 33.0000 -1.045E-01 X I 34.0000 -1.241E-01 X I 35.0000 -1.371E-01 X I 36.0000 -1.431E-01 X I 37.0000 -1.423E-01 X I 38.0000 -1.351E-01 X I 39.0000 -1.220E-01 X I 40.0000 -1.041E-01 X I 41.0000 -8.226E-02 X I 42.0000 -5.747E-02 X I 43.0000 -3.075E-02 X I 44.0000 -3.063E-03 XI 45.0000 2.473E-02 I X 46.0000 5.184E-02 I X 47.0000 7.764E-02 I X 48.0000 1.016E-01 I X 49.0000 1.233E-01 I X 50.0000 1.424E-01 I X 52.0000 1.724E-01 I X 54.0000 1.912E-01 I X 56.0000 1.996E-01 I X 58.0000 1.992E-01 I X 60.0000 1.918E-01 I X 62.0000 1.793E-01 I X 64.0000 1.634E-01 I X 66.0000 1.458E-01 I X 68.0000 1.277E-01 I X 70.0000 1.100E-01 I X 72.0000 9.332E-02 I X 74.0000 7.813E-02 I X 76.0000 6.462E-02 I X 78.0000 5.285E-02 I X 80.0000 4.279E-02 I X 82.0000 3.432E-02 I X 84.0000 2.728E-02 I X 86.0000 2.151E-02 I X 88.0000 1.684E-02 I X 90.0000 1.308E-02 I X 92.0000 1.010E-02 I X 94.0000 7.748E-03 I X 96.0000 5.908E-03 I X 98.0000 4.481E-03 IX 100.0000 3.380E-03 IX 102.0000 2.537E-03 IX 0.0 0.0 0.0 0.0 K d7 4s12d d7 4s 12d 223616.8 196616.8 FIXEDHF 27000.0 20 28.01 CONFIG=d7 4s12d d7 4s L=2 ELIM= 229263.300 N=12 E= 223616.800 E= -0.05145470 Z=2.0000 L=2.0000 STEP=-.0500 NUM= 19400 NSAVE=19400 IRREG=0 IFITER=99 NNODES= 9 NUMR 18861 NUMS 18861 NUML 19386 RS 27.013 RL 0.750 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 RMAX -1.00000000 RMIN 1.54500000 RSCALE 1.59135000 RMAX -1.00000000 RMIN 1.59135000 RSCALE 1.63909050 RMAX -1.00000000 RMIN 1.63909050 RSCALE 1.68826322 RMAX -1.00000000 RMIN 1.68826322 RSCALE 1.73891111 RMAX -1.00000000 RMIN 1.73891111 RSCALE 1.79107844 RMAX -1.00000000 RMIN 1.79107844 RSCALE 1.84481080 RMAX -1.00000000 RMIN 1.84481080 RSCALE 1.90015512 RMAX -1.00000000 RMIN 1.90015512 RSCALE 1.95715978 RMAX -1.00000000 RMIN 1.95715978 RSCALE 2.01587457 RMAX -1.00000000 RMIN 2.01587457 RSCALE 2.07635081 RMAX -1.00000000 RMIN 2.07635081 RSCALE 2.13864133 RMAX -1.00000000 RMIN 2.13864133 RSCALE 2.20280057 RMAX -1.00000000 RMIN 2.20280057 RSCALE 2.26888459 RMAX -1.00000000 RMIN 2.26888459 RSCALE 2.33695112 RMAX -1.00000000 RMIN 2.33695112 RSCALE 2.40705966 RMAX -1.00000000 RMIN 2.40705966 RSCALE 2.47927145 RMAX -1.00000000 RMIN 2.47927145 RSCALE 2.55364959 RMAX -1.00000000 RMIN 2.55364959 RSCALE 2.63025908 RMAX -1.00000000 RMIN 2.63025908 RSCALE 2.70916685 RMAX -1.00000000 RMIN 2.70916685 RSCALE 2.79044186 RMAX -1.00000000 RMIN 2.79044186 RSCALE 2.87415511 RMAX -1.00000000 RMIN 2.87415511 RSCALE 2.96037977 RMAX -1.00000000 RMIN 2.96037977 RSCALE 3.04919116 RMAX -1.00000000 RMIN 3.04919116 RSCALE 3.14066689 RMAX -1.00000000 RMIN 3.14066689 RSCALE 3.23488690 DEL -0.96871701 RSCALE 3.23488690 DEL -0.92696708 RSCALE 3.26659570 DEL -0.87075243 RSCALE 3.29861530 DEL -0.79223258 RSCALE 3.33094877 DEL -0.67629147 RSCALE 3.36359918 DEL -0.48956224 RSCALE 3.39656963 DEL -0.14099049 RSCALE 3.42986326 DEL 0.10164725 RSCALE 3.44332989 DEL -0.01127783 RSCALE 3.43768837 DEL -0.00081855 RSCALE 3.43825179 DEL 0.00000711 RSCALE 3.43829588 DEL 0.00000000 RSCALE 3.43829550 CNORM= 9.98468E-01 0.0500 1.276E-03 X 0.1000 6.336E-03 I X 0.1500 1.307E-02 I X 0.2000 1.849E-02 I X 0.2500 2.076E-02 I X 0.3000 1.936E-02 I X 0.3500 1.477E-02 I X 0.4000 7.978E-03 I X 0.4500 9.948E-05 X 0.5000 -7.809E-03 X I 0.5500 -1.490E-02 X I 0.6000 -2.057E-02 X I 0.6500 -2.446E-02 X I 0.7000 -2.645E-02 X I 0.7500 -2.655E-02 X I 0.8000 -2.492E-02 X I 0.8500 -2.182E-02 X I 0.9000 -1.753E-02 X I 0.9500 -1.235E-02 X I 1.0000 -6.604E-03 X I 1.1000 5.487E-03 I X 1.2000 1.682E-02 I X 1.3000 2.606E-02 I X 1.4000 3.244E-02 I X 1.5000 3.567E-02 I X 1.6000 3.584E-02 I X 1.7000 3.326E-02 I X 1.8000 2.841E-02 I X 1.9000 2.181E-02 I X 2.0000 1.399E-02 I X 2.1000 5.474E-03 I X 2.2000 -3.301E-03 XI 2.3000 -1.194E-02 X I 2.4000 -2.014E-02 X I 2.5000 -2.765E-02 X I 2.6000 -3.428E-02 X I 2.7000 -3.992E-02 X I 2.8000 -4.447E-02 X I 2.9000 -4.793E-02 X I 3.0000 -5.027E-02 X I 3.1000 -5.153E-02 X I 3.2000 -5.176E-02 X I 3.3000 -5.102E-02 X I 3.4000 -4.939E-02 X I 3.5000 -4.694E-02 X I 3.6000 -4.378E-02 X I 3.7000 -3.998E-02 X I 3.8000 -3.563E-02 X I 3.9000 -3.082E-02 X I 4.0000 -2.564E-02 X I 4.1000 -2.016E-02 X I 4.2000 -1.446E-02 X I 4.3000 -8.604E-03 X I 4.4000 -2.666E-03 XI 4.5000 3.298E-03 IX 4.6000 9.233E-03 I X 4.7000 1.509E-02 I X 4.8000 2.082E-02 I X 4.9000 2.639E-02 I X 5.0000 3.175E-02 I X 5.2000 4.176E-02 I X 5.4000 5.064E-02 I X 5.6000 5.824E-02 I X 5.8000 6.447E-02 I X 6.0000 6.926E-02 I X 6.2000 7.259E-02 I X 6.4000 7.446E-02 I X 6.6000 7.492E-02 I X 6.8000 7.401E-02 I X 7.0000 7.181E-02 I X 7.2000 6.840E-02 I X 7.4000 6.388E-02 I X 7.6000 5.837E-02 I X 7.8000 5.196E-02 I X 8.0000 4.479E-02 I X 8.2000 3.697E-02 I X 8.4000 2.864E-02 I X 8.6000 1.992E-02 I X 8.8000 1.093E-02 I X 9.0000 1.796E-03 IX 9.2000 -7.359E-03 X I 9.4000 -1.642E-02 X I 9.6000 -2.529E-02 X I 9.8000 -3.385E-02 X I 10.0000 -4.201E-02 X I 10.2500 -5.152E-02 X I 10.5000 -6.013E-02 X I 10.7500 -6.771E-02 X I 11.0000 -7.415E-02 X I 11.2500 -7.937E-02 X I 11.5000 -8.333E-02 X I 11.7500 -8.598E-02 X I 12.0000 -8.731E-02 X I 12.2500 -8.733E-02 X I 12.5000 -8.607E-02 X I 12.7500 -8.357E-02 X I 13.0000 -7.990E-02 X I 13.2500 -7.513E-02 X I 13.5000 -6.934E-02 X I 13.7500 -6.263E-02 X I 14.0000 -5.512E-02 X I 14.2500 -4.690E-02 X I 14.5000 -3.809E-02 X I 14.7500 -2.882E-02 X I 15.0000 -1.920E-02 X I 15.5000 5.907E-04 X 16.0000 2.036E-02 I X 16.5000 3.926E-02 I X 17.0000 5.650E-02 I X 17.5000 7.145E-02 I X 18.0000 8.360E-02 I X 18.5000 9.258E-02 I X 19.0000 9.816E-02 I X 19.5000 1.003E-01 I X 20.0000 9.891E-02 I X 20.5000 9.427E-02 I X 21.0000 8.658E-02 I X 21.5000 7.619E-02 I X 22.0000 6.348E-02 I X 22.5000 4.890E-02 I X 23.0000 3.293E-02 I X 23.5000 1.604E-02 I X 24.0000 -1.288E-03 X 24.5000 -1.858E-02 X I 25.0000 -3.540E-02 X I 25.5000 -5.135E-02 X I 26.0000 -6.607E-02 X I 26.5000 -7.925E-02 X I 27.0000 -9.063E-02 X I 27.5000 -1.000E-01 X I 28.0000 -1.073E-01 X I 28.5000 -1.122E-01 X I 29.0000 -1.150E-01 X I 29.5000 -1.154E-01 X I 30.0000 -1.136E-01 X I 31.0000 -1.037E-01 X I 32.0000 -8.652E-02 X I 33.0000 -6.347E-02 X I 34.0000 -3.634E-02 X I 35.0000 -6.988E-03 X I 36.0000 2.278E-02 I X 37.0000 5.131E-02 I X 38.0000 7.719E-02 I X 39.0000 9.925E-02 I X 40.0000 1.167E-01 I X 41.0000 1.289E-01 I X 42.0000 1.356E-01 I X 43.0000 1.369E-01 I X 44.0000 1.330E-01 I X 45.0000 1.242E-01 I X 46.0000 1.112E-01 I X 47.0000 9.451E-02 I X 48.0000 7.492E-02 I X 49.0000 5.314E-02 I X 50.0000 2.989E-02 I X 52.0000 -1.834E-02 X I 54.0000 -6.496E-02 X I 56.0000 -1.063E-01 X I 58.0000 -1.402E-01 X I 60.0000 -1.652E-01 X I 62.0000 -1.814E-01 X I 64.0000 -1.893E-01 X I 66.0000 -1.899E-01 X I 68.0000 -1.847E-01 X I 70.0000 -1.749E-01 X I 72.0000 -1.621E-01 X I 74.0000 -1.472E-01 X I 76.0000 -1.315E-01 X I 78.0000 -1.157E-01 X I 80.0000 -1.005E-01 X I 82.0000 -8.613E-02 X I 84.0000 -7.302E-02 X I 86.0000 -6.127E-02 X I 88.0000 -5.093E-02 X I 90.0000 -4.196E-02 X I 92.0000 -3.428E-02 X I 94.0000 -2.780E-02 X I 96.0000 -2.239E-02 X I 98.0000 -1.790E-02 X I 100.0000 -1.423E-02 X I 102.0000 -1.124E-02 X I 104.0000 -8.834E-03 X I 106.0000 -6.904E-03 X I 108.0000 -5.368E-03 X I 110.0000 -4.154E-03 XI 112.0000 -3.201E-03 XI 114.0000 -2.455E-03 XI 0.0 0.0 0.0 0.0 L d7 4s13d d7 4s 13d 224195.0 197195.0 FIXEDHF 27000.0 21 28.01 CONFIG=d7 4s13d d7 4s L=2 ELIM= 229263.300 N=13 E= 224195.000 E= -0.04618575 Z=2.0000 L=2.0000 STEP=-.0500 NUM= 20700 NSAVE=20700 IRREG=0 IFITER=99 NNODES=10 NUMR 20161 NUMS 20161 NUML 20686 RS 27.013 RL 0.750 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 RMAX -1.00000000 RMIN 1.54500000 RSCALE 1.59135000 RMAX -1.00000000 RMIN 1.59135000 RSCALE 1.63909050 RMAX -1.00000000 RMIN 1.63909050 RSCALE 1.68826322 RMAX -1.00000000 RMIN 1.68826322 RSCALE 1.73891111 RMAX -1.00000000 RMIN 1.73891111 RSCALE 1.79107844 RMAX -1.00000000 RMIN 1.79107844 RSCALE 1.84481080 RMAX -1.00000000 RMIN 1.84481080 RSCALE 1.90015512 RMAX -1.00000000 RMIN 1.90015512 RSCALE 1.95715978 RMAX -1.00000000 RMIN 1.95715978 RSCALE 2.01587457 RMAX -1.00000000 RMIN 2.01587457 RSCALE 2.07635081 RMAX -1.00000000 RMIN 2.07635081 RSCALE 2.13864133 RMAX -1.00000000 RMIN 2.13864133 RSCALE 2.20280057 RMAX -1.00000000 RMIN 2.20280057 RSCALE 2.26888459 RMAX -1.00000000 RMIN 2.26888459 RSCALE 2.33695112 RMAX -1.00000000 RMIN 2.33695112 RSCALE 2.40705966 RMAX -1.00000000 RMIN 2.40705966 RSCALE 2.47927145 RMAX -1.00000000 RMIN 2.47927145 RSCALE 2.55364959 RMAX -1.00000000 RMIN 2.55364959 RSCALE 2.63025908 RMAX -1.00000000 RMIN 2.63025908 RSCALE 2.70916685 RMAX -1.00000000 RMIN 2.70916685 RSCALE 2.79044186 RMAX -1.00000000 RMIN 2.79044186 RSCALE 2.87415511 RMAX -1.00000000 RMIN 2.87415511 RSCALE 2.96037977 RMAX -1.00000000 RMIN 2.96037977 RSCALE 3.04919116 RMAX -1.00000000 RMIN 3.04919116 RSCALE 3.14066689 RMAX -1.00000000 RMIN 3.14066689 RSCALE 3.23488690 RMAX -1.00000000 RMIN 3.23488690 RSCALE 3.33193351 RMAX -1.00000000 RMIN 3.33193351 RSCALE 3.43189151 RMAX -1.00000000 RMIN 3.43189151 RSCALE 3.53484826 RMAX -1.00000000 RMIN 3.53484826 RSCALE 3.64089371 DEL -0.97994542 RSCALE 3.64089371 DEL -0.96482885 RSCALE 3.67658223 DEL -0.94729201 RSCALE 3.71262059 DEL -0.92709230 RSCALE 3.74901219 DEL -0.90392708 RSCALE 3.78576051 DEL -0.87741829 RSCALE 3.82286904 DEL -0.84709142 RSCALE 3.86034132 DEL -0.81234628 RSCALE 3.89818090 DEL -0.77241588 RSCALE 3.93639139 DEL -0.72630736 RSCALE 3.97497643 DEL -0.67271509 RSCALE 4.01393968 DEL -0.60988986 RSCALE 4.05328485 DEL -0.53543538 RSCALE 4.09301570 DEL -0.44598085 RSCALE 4.13313598 DEL -0.33663121 RSCALE 4.17364954 DEL -0.19999673 RSCALE 4.21456021 DEL -0.02437178 RSCALE 4.25587189 DEL 0.00388835 RSCALE 4.26160479 DEL -0.00006512 RSCALE 4.26081599 DEL -0.00000017 RSCALE 4.26082898 DEL 0.00000000 RSCALE 4.26082902 CNORM= 9.98173E-01 0.0500 1.233E-03 X 0.1000 6.073E-03 I X 0.1500 1.235E-02 I X 0.2000 1.709E-02 I X 0.2500 1.854E-02 I X 0.3000 1.634E-02 I X 0.3500 1.114E-02 I X 0.4000 4.070E-03 IX 0.4500 -3.625E-03 XI 0.5000 -1.085E-02 X I 0.5500 -1.678E-02 X I 0.6000 -2.088E-02 X I 0.6500 -2.292E-02 X I 0.7000 -2.289E-02 X I 0.7500 -2.097E-02 X I 0.8000 -1.747E-02 X I 0.8500 -1.275E-02 X I 0.9000 -7.208E-03 X I 0.9500 -1.237E-03 X 1.0000 4.805E-03 IX 1.1000 1.591E-02 I X 1.2000 2.427E-02 I X 1.3000 2.893E-02 I X 1.4000 2.969E-02 I X 1.5000 2.688E-02 I X 1.6000 2.119E-02 I X 1.7000 1.346E-02 I X 1.8000 4.554E-03 IX 1.9000 -4.718E-03 XI 2.0000 -1.367E-02 X I 2.1000 -2.175E-02 X I 2.2000 -2.856E-02 X I 2.3000 -3.383E-02 X I 2.4000 -3.745E-02 X I 2.5000 -3.936E-02 X I 2.6000 -3.963E-02 X I 2.7000 -3.836E-02 X I 2.8000 -3.571E-02 X I 2.9000 -3.187E-02 X I 3.0000 -2.704E-02 X I 3.1000 -2.143E-02 X I 3.2000 -1.524E-02 X I 3.3000 -8.656E-03 X I 3.4000 -1.869E-03 XI 3.5000 4.962E-03 I X 3.6000 1.169E-02 I X 3.7000 1.819E-02 I X 3.8000 2.435E-02 I X 3.9000 3.009E-02 I X 4.0000 3.533E-02 I X 4.1000 4.002E-02 I X 4.2000 4.412E-02 I X 4.3000 4.759E-02 I X 4.4000 5.043E-02 I X 4.5000 5.262E-02 I X 4.6000 5.418E-02 I X 4.7000 5.510E-02 I X 4.8000 5.542E-02 I X 4.9000 5.516E-02 I X 5.0000 5.434E-02 I X 5.2000 5.115E-02 I X 5.4000 4.614E-02 I X 5.6000 3.961E-02 I X 5.8000 3.188E-02 I X 6.0000 2.324E-02 I X 6.2000 1.397E-02 I X 6.4000 4.363E-03 IX 6.6000 -5.353E-03 X I 6.8000 -1.495E-02 X I 7.0000 -2.424E-02 X I 7.2000 -3.305E-02 X I 7.4000 -4.124E-02 X I 7.6000 -4.869E-02 X I 7.8000 -5.529E-02 X I 8.0000 -6.099E-02 X I 8.2000 -6.571E-02 X I 8.4000 -6.943E-02 X I 8.6000 -7.213E-02 X I 8.8000 -7.379E-02 X I 9.0000 -7.443E-02 X I 9.2000 -7.406E-02 X I 9.4000 -7.273E-02 X I 9.6000 -7.047E-02 X I 9.8000 -6.733E-02 X I 10.0000 -6.338E-02 X I 10.2500 -5.739E-02 X I 10.5000 -5.036E-02 X I 10.7500 -4.245E-02 X I 11.0000 -3.381E-02 X I 11.2500 -2.461E-02 X I 11.5000 -1.500E-02 X I 11.7500 -5.156E-03 X I 12.0000 4.773E-03 IX 12.2500 1.463E-02 I X 12.5000 2.427E-02 I X 12.7500 3.355E-02 I X 13.0000 4.235E-02 I X 13.2500 5.055E-02 I X 13.5000 5.805E-02 I X 13.7500 6.477E-02 I X 14.0000 7.062E-02 I X 14.2500 7.555E-02 I X 14.5000 7.952E-02 I X 14.7500 8.249E-02 I X 15.0000 8.444E-02 I X 15.5000 8.529E-02 I X 16.0000 8.216E-02 I X 16.5000 7.535E-02 I X 17.0000 6.525E-02 I X 17.5000 5.243E-02 I X 18.0000 3.747E-02 I X 18.5000 2.103E-02 I X 19.0000 3.795E-03 IX 19.5000 -1.358E-02 X I 20.0000 -3.048E-02 X I 20.5000 -4.633E-02 X I 21.0000 -6.062E-02 X I 21.5000 -7.294E-02 X I 22.0000 -8.296E-02 X I 22.5000 -9.042E-02 X I 23.0000 -9.519E-02 X I 23.5000 -9.719E-02 X I 24.0000 -9.645E-02 X I 24.5000 -9.306E-02 X I 25.0000 -8.719E-02 X I 25.5000 -7.905E-02 X I 26.0000 -6.890E-02 X I 26.5000 -5.706E-02 X I 27.0000 -4.384E-02 X I 27.5000 -2.960E-02 X I 28.0000 -1.468E-02 X I 28.5000 5.616E-04 X 29.0000 1.580E-02 I X 29.5000 3.070E-02 I X 30.0000 4.497E-02 I X 31.0000 7.057E-02 I X 32.0000 9.080E-02 I X 33.0000 1.045E-01 I X 34.0000 1.109E-01 I X 35.0000 1.100E-01 I X 36.0000 1.023E-01 I X 37.0000 8.833E-02 I X 38.0000 6.934E-02 I X 39.0000 4.654E-02 I X 40.0000 2.131E-02 I X 41.0000 -4.999E-03 X I 42.0000 -3.108E-02 X I 43.0000 -5.575E-02 X I 44.0000 -7.801E-02 X I 45.0000 -9.704E-02 X I 46.0000 -1.122E-01 X I 47.0000 -1.232E-01 X I 48.0000 -1.297E-01 X I 49.0000 -1.317E-01 X I 50.0000 -1.294E-01 X I 52.0000 -1.131E-01 X I 54.0000 -8.387E-02 X I 56.0000 -4.601E-02 X I 58.0000 -3.831E-03 XI 60.0000 3.873E-02 I X 62.0000 7.846E-02 I X 64.0000 1.130E-01 I X 66.0000 1.409E-01 I X 68.0000 1.615E-01 I X 70.0000 1.748E-01 I X 72.0000 1.813E-01 I X 74.0000 1.819E-01 I X 76.0000 1.776E-01 I X 78.0000 1.694E-01 I X 80.0000 1.585E-01 I X 82.0000 1.457E-01 I X 84.0000 1.319E-01 I X 86.0000 1.177E-01 I X 88.0000 1.038E-01 I X 90.0000 9.053E-02 I X 92.0000 7.812E-02 I X 94.0000 6.678E-02 I X 96.0000 5.659E-02 I X 98.0000 4.756E-02 I X 100.0000 3.966E-02 I X 102.0000 3.285E-02 I X 104.0000 2.702E-02 I X 106.0000 2.209E-02 I X 108.0000 1.795E-02 I X 110.0000 1.450E-02 I X 112.0000 1.166E-02 I X 114.0000 9.323E-03 I X 116.0000 7.421E-03 I X 118.0000 5.880E-03 I X 120.0000 4.639E-03 IX 122.0000 3.645E-03 IX 124.0000 2.852E-03 IX 126.0000 2.224E-03 IX 0.0 0.0 0.0 0.0 M d6s2 4d d6s2 4d 291392.7 254392.7 FIXEDHF 37000.0 22 28.01 CONFIG=d6s2 4d d6s2 L=2 ELIM= 344113.400 N= 4 E= 291392.700 E= -0.48042639 Z=2.0000 L=2.0000 STEP=-.0500 NUM= 5600 NSAVE= 5600 IRREG=0 IFITER=99 NNODES= 1 NUMR 5061 NUMS 5061 NUML 5586 RS 27.013 RL 0.750 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 DEL -40.45344720 RSCALE 1.45631068 DEL -254.32315906 RSCALE 1.47058563 DEL -40.45327405 RSCALE 1.45631068 DEL -34.08265481 RSCALE 1.45361059 DEL -17.28862139 RSCALE 1.43950041 DEL -10.51804588 RSCALE 1.42552720 DEL -6.93295714 RSCALE 1.41168963 DEL -4.75228411 RSCALE 1.39798638 DEL -3.30868276 RSCALE 1.38441615 DEL -2.29677636 RSCALE 1.37097764 DEL -1.55764760 RSCALE 1.35766958 DEL -1.00078031 RSCALE 1.34449070 DEL -0.57104275 RSCALE 1.33143975 DEL -0.23307435 RSCALE 1.31851549 DEL -0.03931241 RSCALE 1.30960248 DEL -0.00331809 RSCALE 1.30779412 DEL -0.00005237 RSCALE 1.30762742 DEL -0.00000007 RSCALE 1.30762474 DEL 0.00000000 RSCALE 1.30762474 CNORM= 1.06232E+00 0.0500 3.595E-03 X 0.1000 1.891E-02 I X 0.1500 4.287E-02 I X 0.2000 6.936E-02 I X 0.2500 9.364E-02 I X 0.3000 1.129E-01 I X 0.3500 1.260E-01 I X 0.4000 1.328E-01 I X 0.4500 1.335E-01 I X 0.5000 1.291E-01 I X 0.5500 1.203E-01 I X 0.6000 1.080E-01 I X 0.6500 9.302E-02 I X 0.7000 7.596E-02 I X 0.7500 5.746E-02 I X 0.8000 3.800E-02 I X 0.8500 1.799E-02 I X 0.9000 -2.259E-03 X 0.9500 -2.248E-02 X I 1.0000 -4.249E-02 X I 1.1000 -8.132E-02 X I 1.2000 -1.180E-01 X I 1.3000 -1.521E-01 X I 1.4000 -1.836E-01 X I 1.5000 -2.126E-01 X I 1.6000 -2.392E-01 X I 1.7000 -2.635E-01 X I 1.8000 -2.858E-01 X I 1.9000 -3.063E-01 X I 2.0000 -3.251E-01 X I 2.1000 -3.423E-01 X I 2.2000 -3.581E-01 X I 2.3000 -3.726E-01 X I 2.4000 -3.860E-01 X I 2.5000 -3.982E-01 X I 2.6000 -4.093E-01 X I 2.7000 -4.194E-01 X I 2.8000 -4.286E-01 X I 2.9000 -4.368E-01 X I 3.0000 -4.441E-01 X I 3.1000 -4.506E-01 X I 3.2000 -4.561E-01 X I 3.3000 -4.608E-01 X I 3.4000 -4.647E-01 X I 3.5000 -4.677E-01 X I 3.6000 -4.700E-01 X I 3.7000 -4.714E-01 X I 3.8000 -4.721E-01 X I 3.9000 -4.720E-01 X I 4.0000 -4.712E-01 X I 4.1000 -4.698E-01 X I 4.2000 -4.677E-01 X I 4.3000 -4.650E-01 X I 4.4000 -4.617E-01 X I 4.5000 -4.578E-01 X I 4.6000 -4.535E-01 X I 4.7000 -4.486E-01 X I 4.8000 -4.433E-01 X I 4.9000 -4.376E-01 X I 5.0000 -4.316E-01 X I 5.2000 -4.184E-01 X I 5.4000 -4.042E-01 X I 5.6000 -3.890E-01 X I 5.8000 -3.732E-01 X I 6.0000 -3.569E-01 X I 6.2000 -3.404E-01 X I 6.4000 -3.237E-01 X I 6.6000 -3.070E-01 X I 6.8000 -2.905E-01 X I 7.0000 -2.743E-01 X I 7.2000 -2.584E-01 X I 7.4000 -2.429E-01 X I 7.6000 -2.279E-01 X I 7.8000 -2.134E-01 X I 8.0000 -1.995E-01 X I 8.2000 -1.862E-01 X I 8.4000 -1.735E-01 X I 8.6000 -1.614E-01 X I 8.8000 -1.499E-01 X I 9.0000 -1.390E-01 X I 9.2000 -1.288E-01 X I 9.4000 -1.191E-01 X I 9.6000 -1.101E-01 X I 9.8000 -1.016E-01 X I 10.0000 -9.364E-02 X I 10.2500 -8.445E-02 X I 10.5000 -7.603E-02 X I 10.7500 -6.835E-02 X I 11.0000 -6.135E-02 X I 11.2500 -5.499E-02 X I 11.5000 -4.922E-02 X I 11.7500 -4.399E-02 X I 12.0000 -3.928E-02 X I 12.2500 -3.502E-02 X I 12.5000 -3.119E-02 X I 12.7500 -2.775E-02 X I 13.0000 -2.466E-02 X I 13.2500 -2.189E-02 X I 13.5000 -1.942E-02 X I 13.7500 -1.720E-02 X I 14.0000 -1.523E-02 X I 14.2500 -1.347E-02 X I 14.5000 -1.190E-02 XI 14.7500 -1.051E-02 XI 15.0000 -9.270E-03 XI 15.5000 -7.198E-03 XI 16.0000 -5.573E-03 XI 0.0 0.0 0.0 0.0 N d8 4s d8 4s 24409.7 6511.4 17000.0 23 28.01 CONFIG=d8 4s d8 L=0 ELIM= 161648.800 N= 4 E= 24409.700 E= -1.25061476 Z=2.0000 L=0.0000 STEP=-.0500 NUM= 3400 NSAVE= 3400 IRREG=0 IFITER=99 NNODES= 3 NUMR 2861 NUMS 2861 NUML 3399 RS 27.013 RL 0.125 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 RMAX 1.33273057 RMIN -1.00000000 RSCALE 1.29391318 DEL 0.94684854 RSCALE 1.29391318 DEL 0.88404384 RSCALE 1.28135318 DEL 0.82152791 RSCALE 1.26891511 DEL 0.75908642 RSCALE 1.25659777 DEL 0.69651245 RSCALE 1.24439999 DEL 0.63360371 RSCALE 1.23232062 DEL 0.57015991 RSCALE 1.22035850 DEL 0.50598029 RSCALE 1.20851250 DEL 0.44086126 RSCALE 1.19678149 DEL 0.37459389 RSCALE 1.18516435 DEL 0.30696152 RSCALE 1.17365997 DEL 0.23773705 RSCALE 1.16226727 DEL 0.16668023 RSCALE 1.15098516 DEL 0.09353447 RSCALE 1.13981257 DEL 0.01802346 RSCALE 1.12874843 DEL -0.00049439 RSCALE 1.12610756 DEL 0.00000260 RSCALE 1.12617807 DEL 0.00000000 RSCALE 1.12617770 CNORM= 9.61888E-01 0.0500 7.457E-02 I X 0.1000 -9.475E-02 X I 0.1500 -1.894E-01 X I 0.2000 -1.791E-01 X I 0.2500 -1.006E-01 X I 0.3000 6.179E-03 X 0.3500 1.127E-01 I X 0.4000 2.026E-01 I X 0.4500 2.680E-01 I X 0.5000 3.073E-01 I X 0.5500 3.219E-01 I X 0.6000 3.149E-01 I X 0.6500 2.902E-01 I X 0.7000 2.516E-01 I X 0.7500 2.026E-01 I X 0.8000 1.466E-01 I X 0.8500 8.600E-02 I X 0.9000 2.312E-02 I X 0.9500 -4.033E-02 X I 1.0000 -1.030E-01 X I 1.1000 -2.220E-01 X I 1.2000 -3.287E-01 X I 1.3000 -4.206E-01 X I 1.4000 -4.973E-01 X I 1.5000 -5.592E-01 X I 1.6000 -6.075E-01 X I 1.7000 -6.435E-01 X I 1.8000 -6.689E-01 X I 1.9000 -6.850E-01 X I 2.0000 -6.931E-01 X I 2.1000 -6.946E-01 X I 2.2000 -6.905E-01 X I 2.3000 -6.817E-01 X I 2.4000 -6.691E-01 X I 2.5000 -6.534E-01 X I 2.6000 -6.353E-01 X I 2.7000 -6.153E-01 X I 2.8000 -5.938E-01 X I 2.9000 -5.712E-01 X I 3.0000 -5.478E-01 X I 3.1000 -5.240E-01 X I 3.2000 -5.000E-01 X I 3.3000 -4.760E-01 X I 3.4000 -4.522E-01 X I 3.5000 -4.287E-01 X I 3.6000 -4.057E-01 X I 3.7000 -3.832E-01 X I 3.8000 -3.614E-01 X I 3.9000 -3.403E-01 X I 4.0000 -3.199E-01 X I 4.1000 -3.004E-01 X I 4.2000 -2.817E-01 X I 4.3000 -2.638E-01 X I 4.4000 -2.468E-01 X I 4.5000 -2.306E-01 X I 4.6000 -2.152E-01 X I 4.7000 -2.007E-01 X I 4.8000 -1.869E-01 X I 4.9000 -1.740E-01 X I 5.0000 -1.618E-01 X I 5.2000 -1.395E-01 X I 5.4000 -1.200E-01 X I 5.6000 -1.029E-01 X I 5.8000 -8.797E-02 X I 6.0000 -7.504E-02 X I 6.2000 -6.387E-02 X I 6.4000 -5.425E-02 X I 6.6000 -4.598E-02 X I 6.8000 -3.891E-02 X I 7.0000 -3.286E-02 X I 7.2000 -2.771E-02 X I 7.4000 -2.333E-02 X I 7.6000 -1.961E-02 X I 7.8000 -1.647E-02 XI 8.0000 -1.381E-02 XI 8.2000 -1.156E-02 XI 8.4000 -9.672E-03 XI 8.6000 -8.081E-03 XI 0.0 0.0 0.0 0.0 O d8 5s d8 5s 103456.9 86859.0 17000.0 24 28.01 CONFIG=d8 5s d8 L=0 ELIM= 161648.800 N= 5 E= 103456.900 E= -0.53028364 Z=2.0000 L=0.0000 STEP=-.0500 NUM= 5400 NSAVE= 5400 IRREG=0 IFITER=99 NNODES= 4 NUMR 4861 NUMS 4861 NUML 5399 RS 27.013 RL 0.125 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 DEL 0.84992434 RSCALE 1.37271249 DEL 0.79531234 RSCALE 1.35938759 DEL 0.74050250 RSCALE 1.34619203 DEL 0.68534432 RSCALE 1.33312457 DEL 0.62968766 RSCALE 1.32018395 DEL 0.57338071 RSCALE 1.30736894 DEL 0.51626815 RSCALE 1.29467833 DEL 0.45819043 RSCALE 1.28211091 DEL 0.39898122 RSCALE 1.26966548 DEL 0.33846602 RSCALE 1.25734086 DEL 0.27646005 RSCALE 1.24513587 DEL 0.21276622 RSCALE 1.23304935 DEL 0.14717265 RSCALE 1.22108016 DEL 0.07944996 RSCALE 1.20922715 DEL 0.00934823 RSCALE 1.19748920 DEL -0.00024730 RSCALE 1.19592392 DEL 0.00000076 RSCALE 1.19596426 DEL 0.00000000 RSCALE 1.19596414 CNORM= 9.88811E-01 0.0500 3.623E-02 I X 0.1000 -4.734E-02 X I 0.1500 -9.272E-02 X I 0.2000 -8.539E-02 X I 0.2500 -4.441E-02 X I 0.3000 9.619E-03 IX 0.3500 6.216E-02 I X 0.4000 1.049E-01 I X 0.4500 1.343E-01 I X 0.5000 1.496E-01 I X 0.5500 1.520E-01 I X 0.6000 1.434E-01 I X 0.6500 1.259E-01 I X 0.7000 1.018E-01 I X 0.7500 7.304E-02 I X 0.8000 4.140E-02 I X 0.8500 8.316E-03 IX 0.9000 -2.504E-02 X I 0.9500 -5.774E-02 X I 1.0000 -8.909E-02 X I 1.1000 -1.458E-01 X I 1.2000 -1.926E-01 X I 1.3000 -2.286E-01 X I 1.4000 -2.540E-01 X I 1.5000 -2.693E-01 X I 1.6000 -2.755E-01 X I 1.7000 -2.737E-01 X I 1.8000 -2.649E-01 X I 1.9000 -2.502E-01 X I 2.0000 -2.306E-01 X I 2.1000 -2.069E-01 X I 2.2000 -1.799E-01 X I 2.3000 -1.503E-01 X I 2.4000 -1.186E-01 X I 2.5000 -8.559E-02 X I 2.6000 -5.157E-02 X I 2.7000 -1.700E-02 X I 2.8000 1.773E-02 I X 2.9000 5.230E-02 I X 3.0000 8.643E-02 I X 3.1000 1.199E-01 I X 3.2000 1.524E-01 I X 3.3000 1.838E-01 I X 3.4000 2.140E-01 I X 3.5000 2.428E-01 I X 3.6000 2.701E-01 I X 3.7000 2.959E-01 I X 3.8000 3.200E-01 I X 3.9000 3.424E-01 I X 4.0000 3.632E-01 I X 4.1000 3.822E-01 I X 4.2000 3.996E-01 I X 4.3000 4.152E-01 I X 4.4000 4.292E-01 I X 4.5000 4.416E-01 I X 4.6000 4.524E-01 I X 4.7000 4.617E-01 I X 4.8000 4.695E-01 I X 4.9000 4.758E-01 I X 5.0000 4.808E-01 I X 5.2000 4.870E-01 I X 5.4000 4.885E-01 I X 5.6000 4.859E-01 I X 5.8000 4.797E-01 I X 6.0000 4.705E-01 I X 6.2000 4.587E-01 I X 6.4000 4.448E-01 I X 6.6000 4.292E-01 I X 6.8000 4.122E-01 I X 7.0000 3.944E-01 I X 7.2000 3.759E-01 I X 7.4000 3.570E-01 I X 7.6000 3.379E-01 I X 7.8000 3.189E-01 I X 8.0000 3.001E-01 I X 8.2000 2.817E-01 I X 8.4000 2.638E-01 I X 8.6000 2.464E-01 I X 8.8000 2.297E-01 I X 9.0000 2.136E-01 I X 9.2000 1.983E-01 I X 9.4000 1.838E-01 I X 9.6000 1.700E-01 I X 9.8000 1.570E-01 I X 10.0000 1.447E-01 I X 10.2500 1.305E-01 I X 10.5000 1.174E-01 I X 10.7500 1.054E-01 I X 11.0000 9.440E-02 I X 11.2500 8.442E-02 I X 11.5000 7.535E-02 I X 11.7500 6.715E-02 I X 12.0000 5.974E-02 I X 12.2500 5.307E-02 I X 12.5000 4.708E-02 I X 12.7500 4.170E-02 I X 13.0000 3.689E-02 I X 13.2500 3.259E-02 I X 13.5000 2.876E-02 I X 13.7500 2.535E-02 I X 14.0000 2.232E-02 I X 14.2500 1.963E-02 I X 14.5000 1.724E-02 I X 14.7500 1.513E-02 I X 15.0000 1.327E-02 IX 15.5000 1.018E-02 IX 16.0000 7.775E-03 IX 16.5000 5.922E-03 IX 0.0 0.0 0.0 0.0 P d8 6s d8 6s 128175.6 111508.1 17000.0 25 28.01 CONFIG=d8 6s d8 L=0 ELIM= 161648.800 N= 6 E= 128175.600 E= -0.30503026 Z=2.0000 L=0.0000 STEP=-.0500 NUM= 7200 NSAVE= 7200 IRREG=0 IFITER=99 NNODES= 5 NUMR 6661 NUMS 6661 NUML 7199 RS 27.013 RL 0.125 DEL 0.68700543 RSCALE 1.50000000 DEL 0.63265644 RSCALE 1.48543952 DEL 0.57841705 RSCALE 1.47102038 DEL 0.52349292 RSCALE 1.45674121 DEL 0.46772264 RSCALE 1.44260065 DEL 0.41093913 RSCALE 1.42859734 DEL 0.35296779 RSCALE 1.41472997 DEL 0.29362411 RSCALE 1.40099721 DEL 0.23271154 RSCALE 1.38739775 DEL 0.17001905 RSCALE 1.37393030 DEL 0.10531837 RSCALE 1.36059358 DEL 0.03836036 RSCALE 1.34738632 DEL -0.00143019 RSCALE 1.33981986 DEL 0.00001917 RSCALE 1.34009182 DEL 0.00000001 RSCALE 1.34008822 CNORM= 9.94639E-01 0.0500 2.254E-02 I X 0.1000 -3.084E-02 X I 0.1500 -5.840E-02 X I 0.2000 -5.136E-02 X I 0.2500 -2.298E-02 X I 0.3000 1.267E-02 I X 0.3500 4.584E-02 I X 0.4000 7.118E-02 I X 0.4500 8.662E-02 I X 0.5000 9.213E-02 I X 0.5500 8.884E-02 I X 0.6000 7.838E-02 I X 0.6500 6.253E-02 I X 0.7000 4.297E-02 I X 0.7500 2.118E-02 I X 0.8000 -1.563E-03 X 0.8500 -2.427E-02 X I 0.9000 -4.615E-02 X I 0.9500 -6.662E-02 X I 1.0000 -8.527E-02 X I 1.1000 -1.161E-01 X I 1.2000 -1.377E-01 X I 1.3000 -1.501E-01 X I 1.4000 -1.542E-01 X I 1.5000 -1.509E-01 X I 1.6000 -1.414E-01 X I 1.7000 -1.270E-01 X I 1.8000 -1.085E-01 X I 1.9000 -8.712E-02 X I 2.0000 -6.357E-02 X I 2.1000 -3.861E-02 X I 2.2000 -1.288E-02 X I 2.3000 1.309E-02 I X 2.4000 3.885E-02 I X 2.5000 6.403E-02 I X 2.6000 8.829E-02 I X 2.7000 1.114E-01 I X 2.8000 1.331E-01 I X 2.9000 1.533E-01 I X 3.0000 1.718E-01 I X 3.1000 1.884E-01 I X 3.2000 2.032E-01 I X 3.3000 2.161E-01 I X 3.4000 2.270E-01 I X 3.5000 2.359E-01 I X 3.6000 2.429E-01 I X 3.7000 2.479E-01 I X 3.8000 2.509E-01 I X 3.9000 2.521E-01 I X 4.0000 2.515E-01 I X 4.1000 2.492E-01 I X 4.2000 2.451E-01 I X 4.3000 2.395E-01 I X 4.4000 2.324E-01 I X 4.5000 2.238E-01 I X 4.6000 2.140E-01 I X 4.7000 2.030E-01 I X 4.8000 1.908E-01 I X 4.9000 1.777E-01 I X 5.0000 1.636E-01 I X 5.2000 1.331E-01 I X 5.4000 1.002E-01 I X 5.6000 6.551E-02 I X 5.8000 2.975E-02 I X 6.0000 -6.482E-03 XI 6.2000 -4.262E-02 X I 6.4000 -7.819E-02 X I 6.6000 -1.128E-01 X I 6.8000 -1.460E-01 X I 7.0000 -1.775E-01 X I 7.2000 -2.072E-01 X I 7.4000 -2.348E-01 X I 7.6000 -2.602E-01 X I 7.8000 -2.833E-01 X I 8.0000 -3.041E-01 X I 8.2000 -3.225E-01 X I 8.4000 -3.385E-01 X I 8.6000 -3.522E-01 X I 8.8000 -3.637E-01 X I 9.0000 -3.729E-01 X I 9.2000 -3.801E-01 X I 9.4000 -3.854E-01 X I 9.6000 -3.887E-01 X I 9.8000 -3.904E-01 X I 10.0000 -3.904E-01 X I 10.2500 -3.884E-01 X I 10.5000 -3.843E-01 X I 10.7500 -3.783E-01 X I 11.0000 -3.708E-01 X I 11.2500 -3.619E-01 X I 11.5000 -3.519E-01 X I 11.7500 -3.410E-01 X I 12.0000 -3.292E-01 X I 12.2500 -3.169E-01 X I 12.5000 -3.042E-01 X I 12.7500 -2.912E-01 X I 13.0000 -2.780E-01 X I 13.2500 -2.648E-01 X I 13.5000 -2.516E-01 X I 13.7500 -2.386E-01 X I 14.0000 -2.258E-01 X I 14.2500 -2.132E-01 X I 14.5000 -2.010E-01 X I 14.7500 -1.891E-01 X I 15.0000 -1.777E-01 X I 15.5000 -1.560E-01 X I 16.0000 -1.362E-01 X I 16.5000 -1.183E-01 X I 17.0000 -1.022E-01 X I 17.5000 -8.789E-02 X I 18.0000 -7.526E-02 X I 18.5000 -6.418E-02 X I 19.0000 -5.453E-02 X I 19.5000 -4.617E-02 X I 20.0000 -3.896E-02 X I 20.5000 -3.278E-02 X I 21.0000 -2.749E-02 X I 21.5000 -2.300E-02 X I 22.0000 -1.919E-02 X I 22.5000 -1.597E-02 X I 23.0000 -1.326E-02 X I 23.5000 -1.098E-02 X I 24.0000 -9.081E-03 XI 24.5000 -7.492E-03 XI 25.0000 -6.170E-03 XI 25.5000 -5.071E-03 XI 26.0000 -4.161E-03 XI 0.0 0.0 0.0 0.0 Q d8 7s d8 7s 139114.2 122376.9 17000.0 26 28.01 CONFIG=d8 7s d8 L=0 ELIM= 161648.800 N= 7 E= 139114.200 E= -0.20535040 Z=2.0000 L=0.0000 STEP=-.0500 NUM= 9000 NSAVE= 9000 IRREG=0 IFITER=99 NNODES= 6 NUMR 8461 NUMS 8461 NUML 8999 RS 27.013 RL 0.125 DEL -0.54701190 RSCALE 1.50000000 DEL -0.44496368 RSCALE 1.51470320 DEL -0.34761181 RSCALE 1.52955052 DEL -0.25595336 RSCALE 1.54454338 DEL -0.16929995 RSCALE 1.55968321 DEL -0.08705537 RSCALE 1.57497143 DEL -0.00869921 RSCALE 1.59040951 DEL -0.00026509 RSCALE 1.59212347 DEL -0.00000083 RSCALE 1.59217734 DEL -0.00000001 RSCALE 1.59217751 CNORM= 9.97257E-01 0.0500 1.648E-02 I X 0.1000 -2.394E-02 X I 0.1500 -4.332E-02 X I 0.2000 -3.557E-02 X I 0.2500 -1.196E-02 X I 0.3000 1.589E-02 I X 0.3500 4.012E-02 I X 0.4000 5.673E-02 I X 0.4500 6.450E-02 I X 0.5000 6.391E-02 I X 0.5500 5.636E-02 I X 0.6000 4.358E-02 I X 0.6500 2.732E-02 I X 0.7000 9.160E-03 I X 0.7500 -9.574E-03 X I 0.8000 -2.783E-02 X I 0.8500 -4.480E-02 X I 0.9000 -5.994E-02 X I 0.9500 -7.287E-02 X I 1.0000 -8.340E-02 X I 1.1000 -9.701E-02 X I 1.2000 -1.011E-01 X I 1.3000 -9.701E-02 X I 1.4000 -8.618E-02 X I 1.5000 -7.025E-02 X I 1.6000 -5.074E-02 X I 1.7000 -2.897E-02 X I 1.8000 -6.064E-03 XI 1.9000 1.707E-02 I X 2.0000 3.969E-02 I X 2.1000 6.125E-02 I X 2.2000 8.131E-02 I X 2.3000 9.957E-02 I X 2.4000 1.158E-01 I X 2.5000 1.299E-01 I X 2.6000 1.418E-01 I X 2.7000 1.514E-01 I X 2.8000 1.588E-01 I X 2.9000 1.639E-01 I X 3.0000 1.670E-01 I X 3.1000 1.680E-01 I X 3.2000 1.670E-01 I X 3.3000 1.642E-01 I X 3.4000 1.597E-01 I X 3.5000 1.536E-01 I X 3.6000 1.460E-01 I X 3.7000 1.371E-01 I X 3.8000 1.270E-01 I X 3.9000 1.158E-01 I X 4.0000 1.036E-01 I X 4.1000 9.058E-02 I X 4.2000 7.688E-02 I X 4.3000 6.261E-02 I X 4.4000 4.788E-02 I X 4.5000 3.282E-02 I X 4.6000 1.753E-02 I X 4.7000 2.129E-03 X 4.8000 -1.329E-02 X I 4.9000 -2.863E-02 X I 5.0000 -4.379E-02 X I 5.2000 -7.325E-02 X I 5.4000 -1.011E-01 X I 5.6000 -1.267E-01 X I 5.8000 -1.498E-01 X I 6.0000 -1.700E-01 X I 6.2000 -1.871E-01 X I 6.4000 -2.009E-01 X I 6.6000 -2.113E-01 X I 6.8000 -2.183E-01 X I 7.0000 -2.220E-01 X I 7.2000 -2.225E-01 X I 7.4000 -2.198E-01 X I 7.6000 -2.142E-01 X I 7.8000 -2.058E-01 X I 8.0000 -1.949E-01 X I 8.2000 -1.817E-01 X I 8.4000 -1.665E-01 X I 8.6000 -1.495E-01 X I 8.8000 -1.309E-01 X I 9.0000 -1.110E-01 X I 9.2000 -8.999E-02 X I 9.4000 -6.820E-02 X I 9.6000 -4.581E-02 X I 9.8000 -2.303E-02 X I 10.0000 -6.504E-05 X 10.2500 2.863E-02 I X 10.5000 5.699E-02 I X 10.7500 8.473E-02 I X 11.0000 1.116E-01 I X 11.2500 1.374E-01 I X 11.5000 1.618E-01 I X 11.7500 1.849E-01 I X 12.0000 2.063E-01 I X 12.2500 2.262E-01 I X 12.5000 2.443E-01 I X 12.7500 2.607E-01 I X 13.0000 2.753E-01 I X 13.2500 2.881E-01 I X 13.5000 2.992E-01 I X 13.7500 3.086E-01 I X 14.0000 3.164E-01 I X 14.2500 3.226E-01 I X 14.5000 3.272E-01 I X 14.7500 3.304E-01 I X 15.0000 3.323E-01 I X 15.5000 3.322E-01 I X 16.0000 3.278E-01 I X 16.5000 3.198E-01 I X 17.0000 3.087E-01 I X 17.5000 2.954E-01 I X 18.0000 2.803E-01 I X 18.5000 2.641E-01 I X 19.0000 2.471E-01 I X 19.5000 2.298E-01 I X 20.0000 2.125E-01 I X 20.5000 1.955E-01 I X 21.0000 1.789E-01 I X 21.5000 1.631E-01 I X 22.0000 1.480E-01 I X 22.5000 1.338E-01 I X 23.0000 1.205E-01 I X 23.5000 1.082E-01 I X 24.0000 9.677E-02 I X 24.5000 8.631E-02 I X 25.0000 7.676E-02 I X 25.5000 6.807E-02 I X 26.0000 6.022E-02 I X 26.5000 5.313E-02 I X 27.0000 4.677E-02 I X 27.5000 4.108E-02 I X 28.0000 3.600E-02 I X 28.5000 3.149E-02 I X 29.0000 2.749E-02 I X 29.5000 2.395E-02 I X 30.0000 2.083E-02 I X 31.0000 1.568E-02 I X 32.0000 1.172E-02 I X 33.0000 8.714E-03 IX 34.0000 6.443E-03 IX 35.0000 4.739E-03 IX 36.0000 3.469E-03 IX 0.0 0.0 0.0 0.0 R d8 8s d8 8s 144942.7 128149.3 17000.0 27 28.01 CONFIG=d8 8s d8 L=0 ELIM= 161648.800 N= 8 E= 144942.700 E= -0.15223719 Z=2.0000 L=0.0000 STEP=-.0500 NUM= 10600 NSAVE=10600 IRREG=0 IFITER=99 NNODES= 7 NUMR 10061 NUMS 10061 NUML 10599 RS 27.013 RL 0.125 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 DEL -73.62286672 RSCALE 1.54500000 DEL -22.95210384 RSCALE 1.56014430 DEL -17.33542235 RSCALE 1.56700414 DEL -11.03214429 RSCALE 1.58236412 DEL -7.93321902 RSCALE 1.59787467 DEL -6.08604343 RSCALE 1.61353725 DEL -4.85660890 RSCALE 1.62935336 DEL -3.97720644 RSCALE 1.64532450 DEL -3.31527128 RSCALE 1.66145219 DEL -2.79765649 RSCALE 1.67773797 DEL -2.38069408 RSCALE 1.69418338 DEL -2.03670097 RSCALE 1.71078999 DEL -1.74727544 RSCALE 1.72755939 DEL -1.49970579 RSCALE 1.74449315 DEL -1.28492666 RSCALE 1.76159291 DEL -1.09629702 RSCALE 1.77886028 DEL -0.92883843 RSCALE 1.79629691 DEL -0.77874342 RSCALE 1.81390445 DEL -0.64304844 RSCALE 1.83168458 DEL -0.51941036 RSCALE 1.84963900 DEL -0.40595029 RSCALE 1.86776941 DEL -0.30114209 RSCALE 1.88607754 DEL -0.20373133 RSCALE 1.90456512 DEL -0.11267541 RSCALE 1.92323392 DEL -0.02709854 RSCALE 1.94208572 DEL -0.00118458 RSCALE 1.94805528 DEL -0.00001272 RSCALE 1.94832816 DEL -0.00000001 RSCALE 1.94833112 CNORM= 9.97100E-01 0.0500 1.275E-02 I X 0.1000 -1.962E-02 X I 0.1500 -3.391E-02 X I 0.2000 -2.574E-02 X I 0.2500 -5.228E-03 XI 0.3000 1.746E-02 I X 0.3500 3.569E-02 I X 0.4000 4.636E-02 I X 0.4500 4.891E-02 I X 0.5000 4.428E-02 I X 0.5500 3.413E-02 I X 0.6000 2.031E-02 I X 0.6500 4.589E-03 IX 0.7000 -1.153E-02 X I 0.7500 -2.685E-02 X I 0.8000 -4.052E-02 X I 0.8500 -5.196E-02 X I 0.9000 -6.082E-02 X I 0.9500 -6.698E-02 X I 1.0000 -7.044E-02 X I 1.1000 -6.987E-02 X I 1.2000 -6.085E-02 X I 1.3000 -4.563E-02 X I 1.4000 -2.644E-02 X I 1.5000 -5.257E-03 XI 1.6000 1.629E-02 I X 1.7000 3.696E-02 I X 1.8000 5.584E-02 I X 1.9000 7.231E-02 I X 2.0000 8.600E-02 I X 2.1000 9.673E-02 I X 2.2000 1.045E-01 I X 2.3000 1.092E-01 I X 2.4000 1.112E-01 I X 2.5000 1.107E-01 I X 2.6000 1.077E-01 I X 2.7000 1.026E-01 I X 2.8000 9.565E-02 I X 2.9000 8.707E-02 I X 3.0000 7.712E-02 I X 3.1000 6.604E-02 I X 3.2000 5.403E-02 I X 3.3000 4.133E-02 I X 3.4000 2.811E-02 I X 3.5000 1.457E-02 I X 3.6000 8.627E-04 X 3.7000 -1.285E-02 X I 3.8000 -2.644E-02 X I 3.9000 -3.978E-02 X I 4.0000 -5.275E-02 X I 4.1000 -6.525E-02 X I 4.2000 -7.720E-02 X I 4.3000 -8.852E-02 X I 4.4000 -9.913E-02 X I 4.5000 -1.090E-01 X I 4.6000 -1.180E-01 X I 4.7000 -1.262E-01 X I 4.8000 -1.335E-01 X I 4.9000 -1.399E-01 X I 5.0000 -1.454E-01 X I 5.2000 -1.535E-01 X I 5.4000 -1.578E-01 X I 5.6000 -1.584E-01 X I 5.8000 -1.554E-01 X I 6.0000 -1.491E-01 X I 6.2000 -1.398E-01 X I 6.4000 -1.277E-01 X I 6.6000 -1.132E-01 X I 6.8000 -9.658E-02 X I 7.0000 -7.832E-02 X I 7.2000 -5.875E-02 X I 7.4000 -3.823E-02 X I 7.6000 -1.712E-02 X I 7.8000 4.256E-03 IX 8.0000 2.557E-02 I X 8.2000 4.653E-02 I X 8.4000 6.686E-02 I X 8.6000 8.634E-02 I X 8.8000 1.047E-01 I X 9.0000 1.219E-01 I X 9.2000 1.376E-01 I X 9.4000 1.517E-01 I X 9.6000 1.642E-01 I X 9.8000 1.750E-01 I X 10.0000 1.840E-01 I X 10.2500 1.926E-01 I X 10.5000 1.984E-01 I X 10.7500 2.014E-01 I X 11.0000 2.016E-01 I X 11.2500 1.991E-01 I X 11.5000 1.941E-01 I X 11.7500 1.868E-01 I X 12.0000 1.772E-01 I X 12.2500 1.656E-01 I X 12.5000 1.523E-01 I X 12.7500 1.373E-01 I X 13.0000 1.209E-01 I X 13.2500 1.034E-01 I X 13.5000 8.493E-02 I X 13.7500 6.567E-02 I X 14.0000 4.585E-02 I X 14.2500 2.564E-02 I X 14.5000 5.218E-03 IX 14.7500 -1.524E-02 X I 15.0000 -3.559E-02 X I 15.5000 -7.539E-02 X I 16.0000 -1.132E-01 X I 16.5000 -1.483E-01 X I 17.0000 -1.800E-01 X I 17.5000 -2.081E-01 X I 18.0000 -2.321E-01 X I 18.5000 -2.521E-01 X I 19.0000 -2.681E-01 X I 19.5000 -2.802E-01 X I 20.0000 -2.886E-01 X I 20.5000 -2.935E-01 X I 21.0000 -2.953E-01 X I 21.5000 -2.943E-01 X I 22.0000 -2.908E-01 X I 22.5000 -2.851E-01 X I 23.0000 -2.777E-01 X I 23.5000 -2.687E-01 X I 24.0000 -2.585E-01 X I 24.5000 -2.473E-01 X I 25.0000 -2.355E-01 X I 25.5000 -2.232E-01 X I 26.0000 -2.107E-01 X I 26.5000 -1.981E-01 X I 27.0000 -1.855E-01 X I 27.5000 -1.731E-01 X I 28.0000 -1.611E-01 X I 28.5000 -1.493E-01 X I 29.0000 -1.381E-01 X I 29.5000 -1.273E-01 X I 30.0000 -1.171E-01 X I 31.0000 -9.825E-02 X I 32.0000 -8.170E-02 X I 33.0000 -6.738E-02 X I 34.0000 -5.514E-02 X I 35.0000 -4.480E-02 X I 36.0000 -3.616E-02 X I 37.0000 -2.902E-02 X I 38.0000 -2.315E-02 X I 39.0000 -1.837E-02 X I 40.0000 -1.451E-02 X I 41.0000 -1.140E-02 X I 42.0000 -8.925E-03 X I 43.0000 -6.956E-03 XI 44.0000 -5.401E-03 XI 45.0000 -4.178E-03 XI 46.0000 -3.221E-03 XI 0.0 0.0 0.0 0.0 S d8 9s d8 9s 148384.6 131584.0 17000.0 28 28.01 CONFIG=d8 9s d8 L=0 ELIM= 161648.800 N= 9 E= 148384.600 E= -0.12087229 Z=2.0000 L=0.0000 STEP=-.0500 NUM= 12000 NSAVE=12000 IRREG=0 IFITER=99 NNODES= 8 NUMR 11461 NUMS 11461 NUML 11999 RS 27.013 RL 0.125 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 RMAX -1.00000000 RMIN 1.54500000 RSCALE 1.59135000 RMAX -1.00000000 RMIN 1.59135000 RSCALE 1.63909050 RMAX -1.00000000 RMIN 1.63909050 RSCALE 1.68826322 RMAX -1.00000000 RMIN 1.68826322 RSCALE 1.73891111 RMAX -1.00000000 RMIN 1.73891111 RSCALE 1.79107844 RMAX -1.00000000 RMIN 1.79107844 RSCALE 1.84481080 RMAX -1.00000000 RMIN 1.84481080 RSCALE 1.90015512 RMAX -1.00000000 RMIN 1.90015512 RSCALE 1.95715978 RMAX -1.00000000 RMIN 1.95715978 RSCALE 2.01587457 RMAX -1.00000000 RMIN 2.01587457 RSCALE 2.07635081 DEL -13.19375987 RSCALE 2.07635081 DEL -8.40699594 RSCALE 2.09670347 DEL -6.01388385 RSCALE 2.11725564 DEL -4.57352049 RSCALE 2.13800927 DEL -3.60818928 RSCALE 2.15896632 DEL -2.91377553 RSCALE 2.18012880 DEL -2.38841828 RSCALE 2.20149871 DEL -1.97559982 RSCALE 2.22307810 DEL -1.64143680 RSCALE 2.24486901 DEL -1.36437608 RSCALE 2.26687351 DEL -1.13004963 RSCALE 2.28909371 DEL -0.92850688 RSCALE 2.31153172 DEL -0.75263445 RSCALE 2.33418966 DEL -0.59720883 RSCALE 2.35706970 DEL -0.45830423 RSCALE 2.38017401 DEL -0.33290967 RSCALE 2.40350480 DEL -0.21867369 RSCALE 2.42706427 DEL -0.11372957 RSCALE 2.45085468 DEL -0.01657294 RSCALE 2.47487829 DEL -0.00077500 RSCALE 2.47897622 DEL -0.00000542 RSCALE 2.47917726 DEL 0.00000000 RSCALE 2.47917867 CNORM= 9.97415E-01 0.0500 1.051E-02 I X 0.1000 -1.710E-02 X I 0.1500 -2.822E-02 X I 0.2000 -1.957E-02 X I 0.2500 -8.199E-04 X 0.3000 1.857E-02 I X 0.3500 3.269E-02 I X 0.4000 3.909E-02 I X 0.4500 3.778E-02 I X 0.5000 3.015E-02 I X 0.5500 1.820E-02 I X 0.6000 3.967E-03 IX 0.6500 -1.073E-02 X I 0.7000 -2.443E-02 X I 0.7500 -3.612E-02 X I 0.8000 -4.513E-02 X I 0.8500 -5.113E-02 X I 0.9000 -5.407E-02 X I 0.9500 -5.406E-02 X I 1.0000 -5.138E-02 X I 1.1000 -3.946E-02 X I 1.2000 -2.156E-02 X I 1.3000 -8.334E-04 X 1.4000 2.004E-02 I X 1.5000 3.906E-02 I X 1.6000 5.488E-02 I X 1.7000 6.675E-02 I X 1.8000 7.436E-02 I X 1.9000 7.774E-02 I X 2.0000 7.718E-02 I X 2.1000 7.309E-02 I X 2.2000 6.601E-02 I X 2.3000 5.646E-02 I X 2.4000 4.500E-02 I X 2.5000 3.215E-02 I X 2.6000 1.838E-02 I X 2.7000 4.138E-03 IX 2.8000 -1.021E-02 X I 2.9000 -2.434E-02 X I 3.0000 -3.797E-02 X I 3.1000 -5.088E-02 X I 3.2000 -6.290E-02 X I 3.3000 -7.387E-02 X I 3.4000 -8.369E-02 X I 3.5000 -9.229E-02 X I 3.6000 -9.963E-02 X I 3.7000 -1.057E-01 X I 3.8000 -1.104E-01 X I 3.9000 -1.138E-01 X I 4.0000 -1.160E-01 X I 4.1000 -1.170E-01 X I 4.2000 -1.168E-01 X I 4.3000 -1.154E-01 X I 4.4000 -1.130E-01 X I 4.5000 -1.096E-01 X I 4.6000 -1.053E-01 X I 4.7000 -1.001E-01 X I 4.8000 -9.405E-02 X I 4.9000 -8.734E-02 X I 5.0000 -7.998E-02 X I 5.2000 -6.361E-02 X I 5.4000 -4.554E-02 X I 5.6000 -2.631E-02 X I 5.8000 -6.434E-03 XI 6.0000 1.359E-02 I X 6.2000 3.331E-02 I X 6.4000 5.235E-02 I X 6.6000 7.033E-02 I X 6.8000 8.694E-02 I X 7.0000 1.019E-01 I X 7.2000 1.151E-01 I X 7.4000 1.263E-01 I X 7.6000 1.353E-01 I X 7.8000 1.422E-01 I X 8.0000 1.468E-01 I X 8.2000 1.492E-01 I X 8.4000 1.494E-01 I X 8.6000 1.475E-01 I X 8.8000 1.436E-01 I X 9.0000 1.378E-01 I X 9.2000 1.301E-01 I X 9.4000 1.209E-01 I X 9.6000 1.101E-01 I X 9.8000 9.811E-02 I X 10.0000 8.495E-02 I X 10.2500 6.718E-02 I X 10.5000 4.829E-02 I X 10.7500 2.860E-02 I X 11.0000 8.471E-03 I X 11.2500 -1.179E-02 X I 11.5000 -3.188E-02 X I 11.7500 -5.153E-02 X I 12.0000 -7.046E-02 X I 12.2500 -8.847E-02 X I 12.5000 -1.053E-01 X I 12.7500 -1.209E-01 X I 13.0000 -1.350E-01 X I 13.2500 -1.475E-01 X I 13.5000 -1.584E-01 X I 13.7500 -1.675E-01 X I 14.0000 -1.749E-01 X I 14.2500 -1.804E-01 X I 14.5000 -1.842E-01 X I 14.7500 -1.861E-01 X I 15.0000 -1.864E-01 X I 15.5000 -1.818E-01 X I 16.0000 -1.710E-01 X I 16.5000 -1.547E-01 X I 17.0000 -1.336E-01 X I 17.5000 -1.088E-01 X I 18.0000 -8.103E-02 X I 18.5000 -5.121E-02 X I 19.0000 -2.016E-02 X I 19.5000 1.135E-02 I X 20.0000 4.262E-02 I X 20.5000 7.306E-02 I X 21.0000 1.022E-01 I X 21.5000 1.295E-01 I X 22.0000 1.547E-01 I X 22.5000 1.776E-01 I X 23.0000 1.979E-01 I X 23.5000 2.156E-01 I X 24.0000 2.307E-01 I X 24.5000 2.432E-01 I X 25.0000 2.530E-01 I X 25.5000 2.604E-01 I X 26.0000 2.655E-01 I X 26.5000 2.683E-01 I X 27.0000 2.692E-01 I X 27.5000 2.682E-01 I X 28.0000 2.655E-01 I X 28.5000 2.614E-01 I X 29.0000 2.561E-01 I X 29.5000 2.496E-01 I X 30.0000 2.422E-01 I X 31.0000 2.253E-01 I X 32.0000 2.066E-01 I X 33.0000 1.870E-01 I X 34.0000 1.673E-01 I X 35.0000 1.482E-01 I X 36.0000 1.300E-01 I X 37.0000 1.130E-01 I X 38.0000 9.755E-02 I X 39.0000 8.357E-02 I X 40.0000 7.111E-02 I X 41.0000 6.014E-02 I X 42.0000 5.056E-02 I X 43.0000 4.228E-02 I X 44.0000 3.518E-02 I X 45.0000 2.913E-02 I X 46.0000 2.402E-02 I X 47.0000 1.971E-02 I X 48.0000 1.612E-02 I X 49.0000 1.313E-02 I X 50.0000 1.066E-02 I X 52.0000 6.951E-03 IX 54.0000 4.479E-03 IX 56.0000 2.853E-03 IX 0.0 0.0 0.0 0.0 T d8 10s d8 10s 150792.8 133792.8 FIXEDHF 17000.0 29 28.01 CONFIG=d8 10s d8 L=0 ELIM= 161648.800 N=10 E= 150792.800 E= -0.09892716 Z=2.0000 L=0.0000 STEP=-.0500 NUM= 13400 NSAVE=13400 IRREG=0 IFITER=99 NNODES= 9 NUMR 12861 NUMS 12861 NUML 13399 RS 27.013 RL 0.125 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 RMAX -1.00000000 RMIN 1.54500000 RSCALE 1.59135000 RMAX -1.00000000 RMIN 1.59135000 RSCALE 1.63909050 RMAX -1.00000000 RMIN 1.63909050 RSCALE 1.68826322 RMAX -1.00000000 RMIN 1.68826322 RSCALE 1.73891111 RMAX -1.00000000 RMIN 1.73891111 RSCALE 1.79107844 RMAX -1.00000000 RMIN 1.79107844 RSCALE 1.84481080 RMAX -1.00000000 RMIN 1.84481080 RSCALE 1.90015512 RMAX -1.00000000 RMIN 1.90015512 RSCALE 1.95715978 RMAX -1.00000000 RMIN 1.95715978 RSCALE 2.01587457 RMAX -1.00000000 RMIN 2.01587457 RSCALE 2.07635081 RMAX -1.00000000 RMIN 2.07635081 RSCALE 2.13864133 RMAX -1.00000000 RMIN 2.13864133 RSCALE 2.20280057 RMAX -1.00000000 RMIN 2.20280057 RSCALE 2.26888459 RMAX -1.00000000 RMIN 2.26888459 RSCALE 2.33695112 RMAX -1.00000000 RMIN 2.33695112 RSCALE 2.40705966 RMAX -1.00000000 RMIN 2.40705966 RSCALE 2.47927145 RMAX -1.00000000 RMIN 2.47927145 RSCALE 2.55364959 RMAX -1.00000000 RMIN 2.55364959 RSCALE 2.63025908 DEL -78.89919839 RSCALE 2.63025908 DEL -17.09054277 RSCALE 2.65604123 DEL -13.91509784 RSCALE 2.66317018 DEL -8.08694763 RSCALE 2.68927494 DEL -5.51468893 RSCALE 2.71563557 DEL -4.05969541 RSCALE 2.74225459 DEL -3.11985192 RSCALE 2.76913454 DEL -2.45975571 RSCALE 2.79627797 DEL -1.96841812 RSCALE 2.82368746 DEL -1.58665496 RSCALE 2.85136562 DEL -1.28001200 RSCALE 2.87931509 DEL -1.02706298 RSCALE 2.90753852 DEL -0.81377705 RSCALE 2.93603860 DEL -0.63057538 RSCALE 2.96481805 DEL -0.47068906 RSCALE 2.99387959 DEL -0.32919328 RSCALE 3.02322600 DEL -0.20241347 RSCALE 3.05286007 DEL -0.08754628 RSCALE 3.08278461 DEL -0.00730078 RSCALE 3.10559167 DEL -0.00027607 RSCALE 3.10766667 DEL -0.00000089 RSCALE 3.10774822 DEL 0.00000000 RSCALE 3.10774848 CNORM= 9.97433E-01 0.0500 8.809E-03 I X 0.1000 -1.494E-02 X I 0.1500 -2.375E-02 X I 0.2000 -1.521E-02 X I 0.2500 1.667E-03 X 0.3000 1.817E-02 I X 0.3500 2.908E-02 I X 0.4000 3.252E-02 I X 0.4500 2.890E-02 I X 0.5000 1.993E-02 I X 0.5500 7.754E-03 I X 0.6000 -5.531E-03 XI 0.6500 -1.818E-02 X I 0.7000 -2.890E-02 X I 0.7500 -3.686E-02 X I 0.8000 -4.166E-02 X I 0.8500 -4.323E-02 X I 0.9000 -4.176E-02 X I 0.9500 -3.762E-02 X I 1.0000 -3.127E-02 X I 1.1000 -1.406E-02 X I 1.2000 5.769E-03 IX 1.3000 2.478E-02 I X 1.4000 4.054E-02 I X 1.5000 5.161E-02 I X 1.6000 5.741E-02 I X 1.7000 5.801E-02 I X 1.8000 5.394E-02 I X 1.9000 4.599E-02 I X 2.0000 3.505E-02 I X 2.1000 2.207E-02 I X 2.2000 7.909E-03 I X 2.3000 -6.640E-03 XI 2.4000 -2.091E-02 X I 2.5000 -3.435E-02 X I 2.6000 -4.655E-02 X I 2.7000 -5.718E-02 X I 2.8000 -6.605E-02 X I 2.9000 -7.302E-02 X I 3.0000 -7.805E-02 X I 3.1000 -8.116E-02 X I 3.2000 -8.240E-02 X I 3.3000 -8.187E-02 X I 3.4000 -7.970E-02 X I 3.5000 -7.602E-02 X I 3.6000 -7.100E-02 X I 3.7000 -6.479E-02 X I 3.8000 -5.756E-02 X I 3.9000 -4.949E-02 X I 4.0000 -4.071E-02 X I 4.1000 -3.139E-02 X I 4.2000 -2.168E-02 X I 4.3000 -1.171E-02 X I 4.4000 -1.597E-03 X 4.5000 8.531E-03 I X 4.6000 1.857E-02 I X 4.7000 2.843E-02 I X 4.8000 3.801E-02 I X 4.9000 4.725E-02 I X 5.0000 5.607E-02 I X 5.2000 7.225E-02 I X 5.4000 8.617E-02 I X 5.6000 9.757E-02 I X 5.8000 1.063E-01 I X 6.0000 1.123E-01 I X 6.2000 1.156E-01 I X 6.4000 1.162E-01 I X 6.6000 1.142E-01 I X 6.8000 1.099E-01 I X 7.0000 1.034E-01 I X 7.2000 9.485E-02 I X 7.4000 8.459E-02 I X 7.6000 7.282E-02 I X 7.8000 5.980E-02 I X 8.0000 4.579E-02 I X 8.2000 3.104E-02 I X 8.4000 1.581E-02 I X 8.6000 3.444E-04 X 8.8000 -1.513E-02 X I 9.0000 -3.039E-02 X I 9.2000 -4.523E-02 X I 9.4000 -5.947E-02 X I 9.6000 -7.293E-02 X I 9.8000 -8.547E-02 X I 10.0000 -9.695E-02 X I 10.2500 -1.096E-01 X I 10.5000 -1.204E-01 X I 10.7500 -1.289E-01 X I 11.0000 -1.353E-01 X I 11.2500 -1.395E-01 X I 11.5000 -1.414E-01 X I 11.7500 -1.411E-01 X I 12.0000 -1.387E-01 X I 12.2500 -1.343E-01 X I 12.5000 -1.280E-01 X I 12.7500 -1.198E-01 X I 13.0000 -1.101E-01 X I 13.2500 -9.898E-02 X I 13.5000 -8.657E-02 X I 13.7500 -7.309E-02 X I 14.0000 -5.874E-02 X I 14.2500 -4.370E-02 X I 14.5000 -2.816E-02 X I 14.7500 -1.232E-02 X I 15.0000 3.664E-03 IX 15.5000 3.535E-02 I X 16.0000 6.565E-02 I X 16.5000 9.348E-02 I X 17.0000 1.180E-01 I X 17.5000 1.385E-01 I X 18.0000 1.545E-01 I X 18.5000 1.658E-01 I X 19.0000 1.722E-01 I X 19.5000 1.738E-01 I X 20.0000 1.708E-01 I X 20.5000 1.636E-01 I X 21.0000 1.523E-01 I X 21.5000 1.377E-01 I X 22.0000 1.200E-01 I X 22.5000 9.978E-02 I X 23.0000 7.764E-02 I X 23.5000 5.404E-02 I X 24.0000 2.947E-02 I X 24.5000 4.404E-03 IX 25.0000 -2.074E-02 X I 25.5000 -4.557E-02 X I 26.0000 -6.974E-02 X I 26.5000 -9.296E-02 X I 27.0000 -1.150E-01 X I 27.5000 -1.356E-01 X I 28.0000 -1.546E-01 X I 28.5000 -1.719E-01 X I 29.0000 -1.875E-01 X I 29.5000 -2.012E-01 X I 30.0000 -2.131E-01 X I 31.0000 -2.314E-01 X I 32.0000 -2.428E-01 X I 33.0000 -2.479E-01 X I 34.0000 -2.474E-01 X I 35.0000 -2.423E-01 X I 36.0000 -2.335E-01 X I 37.0000 -2.219E-01 X I 38.0000 -2.081E-01 X I 39.0000 -1.931E-01 X I 40.0000 -1.774E-01 X I 41.0000 -1.614E-01 X I 42.0000 -1.457E-01 X I 43.0000 -1.305E-01 X I 44.0000 -1.160E-01 X I 45.0000 -1.025E-01 X I 46.0000 -9.004E-02 X I 47.0000 -7.863E-02 X I 48.0000 -6.830E-02 X I 49.0000 -5.903E-02 X I 50.0000 -5.078E-02 X I 52.0000 -3.710E-02 X I 54.0000 -2.668E-02 X I 56.0000 -1.892E-02 X I 58.0000 -1.324E-02 X I 60.0000 -9.164E-03 X I 62.0000 -6.274E-03 XI 64.0000 -4.253E-03 XI 66.0000 -2.857E-03 XI 0.0 0.0 0.0 0.0 U d8 11s d8 11s 152297.6 135297.6 FIXEDHF 17000.0 30 28.01 CONFIG=d8 11s d8 L=0 ELIM= 161648.800 N=11 E= 152297.600 E= -0.08521441 Z=2.0000 L=0.0000 STEP=-.0500 NUM= 14600 NSAVE=14600 IRREG=0 IFITER=99 NNODES=10 NUMR 14061 NUMS 14061 NUML 14599 RS 27.013 RL 0.125 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 RMAX -1.00000000 RMIN 1.54500000 RSCALE 1.59135000 RMAX -1.00000000 RMIN 1.59135000 RSCALE 1.63909050 RMAX -1.00000000 RMIN 1.63909050 RSCALE 1.68826322 RMAX -1.00000000 RMIN 1.68826322 RSCALE 1.73891111 RMAX -1.00000000 RMIN 1.73891111 RSCALE 1.79107844 RMAX -1.00000000 RMIN 1.79107844 RSCALE 1.84481080 RMAX -1.00000000 RMIN 1.84481080 RSCALE 1.90015512 RMAX -1.00000000 RMIN 1.90015512 RSCALE 1.95715978 RMAX -1.00000000 RMIN 1.95715978 RSCALE 2.01587457 RMAX -1.00000000 RMIN 2.01587457 RSCALE 2.07635081 RMAX -1.00000000 RMIN 2.07635081 RSCALE 2.13864133 RMAX -1.00000000 RMIN 2.13864133 RSCALE 2.20280057 RMAX -1.00000000 RMIN 2.20280057 RSCALE 2.26888459 RMAX -1.00000000 RMIN 2.26888459 RSCALE 2.33695112 RMAX -1.00000000 RMIN 2.33695112 RSCALE 2.40705966 RMAX -1.00000000 RMIN 2.40705966 RSCALE 2.47927145 RMAX -1.00000000 RMIN 2.47927145 RSCALE 2.55364959 RMAX -1.00000000 RMIN 2.55364959 RSCALE 2.63025908 RMAX -1.00000000 RMIN 2.63025908 RSCALE 2.70916685 RMAX -1.00000000 RMIN 2.70916685 RSCALE 2.79044186 RMAX -1.00000000 RMIN 2.79044186 RSCALE 2.87415511 RMAX -1.00000000 RMIN 2.87415511 RSCALE 2.96037977 RMAX -1.00000000 RMIN 2.96037977 RSCALE 3.04919116 RMAX -1.00000000 RMIN 3.04919116 RSCALE 3.14066689 RMAX -1.00000000 RMIN 3.14066689 RSCALE 3.23488690 RMAX -1.00000000 RMIN 3.23488690 RSCALE 3.33193351 RMAX -1.00000000 RMIN 3.33193351 RSCALE 3.43189151 RMAX -1.00000000 RMIN 3.43189151 RSCALE 3.53484826 DEL -11.31227563 RSCALE 3.53484826 DEL -6.45001741 RSCALE 3.56949732 DEL -4.32211508 RSCALE 3.60448601 DEL -3.12153952 RSCALE 3.63981766 DEL -2.34598993 RSCALE 3.67549564 DEL -1.80036633 RSCALE 3.71152334 DEL -1.39304900 RSCALE 3.74790419 DEL -1.07530975 RSCALE 3.78464165 DEL -0.81882974 RSCALE 3.82173922 DEL -0.60601536 RSCALE 3.85920042 DEL -0.42534888 RSCALE 3.89702882 DEL -0.26896340 RSCALE 3.93522801 DEL -0.13129184 RSCALE 3.97380165 DEL -0.01475330 RSCALE 4.01058777 DEL -0.00086604 RSCALE 4.01524475 DEL -0.00000591 RSCALE 4.01553517 DEL 0.00000000 RSCALE 4.01553716 CNORM= 9.96844E-01 0.0500 7.718E-03 I X 0.1000 -1.358E-02 X I 0.1500 -2.086E-02 X I 0.2000 -1.227E-02 X I 0.2500 3.419E-03 IX 0.3000 1.794E-02 I X 0.3500 2.651E-02 I X 0.4000 2.769E-02 I X 0.4500 2.231E-02 I X 0.5000 1.237E-02 I X 0.5500 2.053E-04 X 0.6000 -1.203E-02 X I 0.6500 -2.265E-02 X I 0.7000 -3.054E-02 X I 0.7500 -3.509E-02 X I 0.8000 -3.618E-02 X I 0.8500 -3.402E-02 X I 0.9000 -2.907E-02 X I 0.9500 -2.194E-02 X I 1.0000 -1.329E-02 X I 1.1000 5.935E-03 IX 1.2000 2.399E-02 I X 1.3000 3.765E-02 I X 1.4000 4.522E-02 I X 1.5000 4.633E-02 I X 1.6000 4.155E-02 I X 1.7000 3.206E-02 I X 1.8000 1.930E-02 I X 1.9000 4.763E-03 IX 2.0000 -1.019E-02 X I 2.1000 -2.440E-02 X I 2.2000 -3.697E-02 X I 2.3000 -4.725E-02 X I 2.4000 -5.485E-02 X I 2.5000 -5.959E-02 X I 2.6000 -6.147E-02 X I 2.7000 -6.062E-02 X I 2.8000 -5.727E-02 X I 2.9000 -5.174E-02 X I 3.0000 -4.437E-02 X I 3.1000 -3.554E-02 X I 3.2000 -2.561E-02 X I 3.3000 -1.494E-02 X I 3.4000 -3.859E-03 XI 3.5000 7.321E-03 I X 3.6000 1.833E-02 I X 3.7000 2.893E-02 I X 3.8000 3.892E-02 I X 3.9000 4.814E-02 I X 4.0000 5.646E-02 I X 4.1000 6.378E-02 I X 4.2000 7.002E-02 I X 4.3000 7.514E-02 I X 4.4000 7.912E-02 I X 4.5000 8.196E-02 I X 4.6000 8.368E-02 I X 4.7000 8.429E-02 I X 4.8000 8.385E-02 I X 4.9000 8.241E-02 I X 5.0000 8.002E-02 I X 5.2000 7.269E-02 I X 5.4000 6.244E-02 I X 5.6000 4.985E-02 I X 5.8000 3.555E-02 I X 6.0000 2.011E-02 I X 6.2000 4.055E-03 IX 6.4000 -1.211E-02 X I 6.6000 -2.797E-02 X I 6.8000 -4.314E-02 X I 7.0000 -5.730E-02 X I 7.2000 -7.020E-02 X I 7.4000 -8.162E-02 X I 7.6000 -9.140E-02 X I 7.8000 -9.944E-02 X I 8.0000 -1.057E-01 X I 8.2000 -1.100E-01 X I 8.4000 -1.126E-01 X I 8.6000 -1.132E-01 X I 8.8000 -1.122E-01 X I 9.0000 -1.094E-01 X I 9.2000 -1.050E-01 X I 9.4000 -9.915E-02 X I 9.6000 -9.193E-02 X I 9.8000 -8.348E-02 X I 10.0000 -7.395E-02 X I 10.2500 -6.075E-02 X I 10.5000 -4.638E-02 X I 10.7500 -3.116E-02 X I 11.0000 -1.538E-02 X I 11.2500 6.758E-04 X 11.5000 1.672E-02 I X 11.7500 3.249E-02 I X 12.0000 4.774E-02 I X 12.2500 6.225E-02 I X 12.5000 7.583E-02 I X 12.7500 8.829E-02 I X 13.0000 9.950E-02 I X 13.2500 1.093E-01 I X 13.5000 1.177E-01 I X 13.7500 1.245E-01 I X 14.0000 1.297E-01 I X 14.2500 1.332E-01 I X 14.5000 1.352E-01 I X 14.7500 1.355E-01 I X 15.0000 1.343E-01 I X 15.5000 1.273E-01 I X 16.0000 1.149E-01 I X 16.5000 9.770E-02 I X 17.0000 7.669E-02 I X 17.5000 5.281E-02 I X 18.0000 2.703E-02 I X 18.5000 3.170E-04 X 19.0000 -2.641E-02 X I 19.5000 -5.232E-02 X I 20.0000 -7.667E-02 X I 20.5000 -9.882E-02 X I 21.0000 -1.183E-01 X I 21.5000 -1.346E-01 X I 22.0000 -1.476E-01 X I 22.5000 -1.570E-01 X I 23.0000 -1.628E-01 X I 23.5000 -1.650E-01 X I 24.0000 -1.636E-01 X I 24.5000 -1.590E-01 X I 25.0000 -1.513E-01 X I 25.5000 -1.407E-01 X I 26.0000 -1.276E-01 X I 26.5000 -1.123E-01 X I 27.0000 -9.520E-02 X I 27.5000 -7.658E-02 X I 28.0000 -5.680E-02 X I 28.5000 -3.621E-02 X I 29.0000 -1.511E-02 X I 29.5000 6.181E-03 IX 30.0000 2.740E-02 I X 31.0000 6.863E-02 I X 32.0000 1.069E-01 I X 33.0000 1.409E-01 I X 34.0000 1.699E-01 I X 35.0000 1.935E-01 I X 36.0000 2.114E-01 I X 37.0000 2.238E-01 I X 38.0000 2.312E-01 I X 39.0000 2.339E-01 I X 40.0000 2.326E-01 I X 41.0000 2.278E-01 I X 42.0000 2.202E-01 I X 43.0000 2.104E-01 I X 44.0000 1.990E-01 I X 45.0000 1.864E-01 I X 46.0000 1.731E-01 I X 47.0000 1.595E-01 I X 48.0000 1.459E-01 I X 49.0000 1.326E-01 I X 50.0000 1.198E-01 I X 52.0000 9.613E-02 I X 54.0000 7.558E-02 I X 56.0000 5.838E-02 I X 58.0000 4.438E-02 I X 60.0000 3.326E-02 I X 62.0000 2.460E-02 I X 64.0000 1.798E-02 I X 66.0000 1.301E-02 I X 68.0000 9.313E-03 I X 70.0000 6.608E-03 I X 72.0000 4.649E-03 IX 74.0000 3.245E-03 IX 0.0 0.0 0.0 0.0 V d8 12s d8 12s 153366.8 136366.8 FIXEDHF 17000.0 31 28.01 CONFIG=d8 12s d8 L=0 ELIM= 161648.800 N=12 E= 153366.800 E= -0.07547114 Z=2.0000 L=0.0000 STEP=-.0500 NUM= 15600 NSAVE=15600 IRREG=0 IFITER=99 NNODES=11 NUMR 15061 NUMS 15061 NUML 15599 RS 27.013 RL 0.125 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 RMAX -1.00000000 RMIN 1.54500000 RSCALE 1.59135000 RMAX -1.00000000 RMIN 1.59135000 RSCALE 1.63909050 RMAX -1.00000000 RMIN 1.63909050 RSCALE 1.68826322 RMAX -1.00000000 RMIN 1.68826322 RSCALE 1.73891111 RMAX -1.00000000 RMIN 1.73891111 RSCALE 1.79107844 RMAX -1.00000000 RMIN 1.79107844 RSCALE 1.84481080 RMAX -1.00000000 RMIN 1.84481080 RSCALE 1.90015512 RMAX -1.00000000 RMIN 1.90015512 RSCALE 1.95715978 RMAX -1.00000000 RMIN 1.95715978 RSCALE 2.01587457 RMAX -1.00000000 RMIN 2.01587457 RSCALE 2.07635081 RMAX -1.00000000 RMIN 2.07635081 RSCALE 2.13864133 RMAX -1.00000000 RMIN 2.13864133 RSCALE 2.20280057 RMAX -1.00000000 RMIN 2.20280057 RSCALE 2.26888459 RMAX -1.00000000 RMIN 2.26888459 RSCALE 2.33695112 RMAX -1.00000000 RMIN 2.33695112 RSCALE 2.40705966 RMAX -1.00000000 RMIN 2.40705966 RSCALE 2.47927145 RMAX -1.00000000 RMIN 2.47927145 RSCALE 2.55364959 RMAX -1.00000000 RMIN 2.55364959 RSCALE 2.63025908 RMAX -1.00000000 RMIN 2.63025908 RSCALE 2.70916685 RMAX -1.00000000 RMIN 2.70916685 RSCALE 2.79044186 RMAX -1.00000000 RMIN 2.79044186 RSCALE 2.87415511 RMAX -1.00000000 RMIN 2.87415511 RSCALE 2.96037977 RMAX -1.00000000 RMIN 2.96037977 RSCALE 3.04919116 RMAX -1.00000000 RMIN 3.04919116 RSCALE 3.14066689 RMAX -1.00000000 RMIN 3.14066689 RSCALE 3.23488690 RMAX -1.00000000 RMIN 3.23488690 RSCALE 3.33193351 RMAX -1.00000000 RMIN 3.33193351 RSCALE 3.43189151 RMAX -1.00000000 RMIN 3.43189151 RSCALE 3.53484826 RMAX -1.00000000 RMIN 3.53484826 RSCALE 3.64089371 RMAX -1.00000000 RMIN 3.64089371 RSCALE 3.75012052 RMAX -1.00000000 RMIN 3.75012052 RSCALE 3.86262413 RMAX -1.00000000 RMIN 3.86262413 RSCALE 3.97850286 RMAX -1.00000000 RMIN 3.97850286 RSCALE 4.09785794 RMAX -1.00000000 RMIN 4.09785794 RSCALE 4.22079368 RMAX -1.00000000 RMIN 4.22079368 RSCALE 4.34741749 RMAX -1.00000000 RMIN 4.34741749 RSCALE 4.47784002 RMAX -1.00000000 RMIN 4.47784002 RSCALE 4.61217522 DEL -26.45084337 RSCALE 4.61217522 DEL -8.97459408 RSCALE 4.65738438 DEL -6.52320843 RSCALE 4.68060068 DEL -4.05932768 RSCALE 4.72648055 DEL -2.79081243 RSCALE 4.77281015 DEL -2.01155033 RSCALE 4.81959387 DEL -1.47994101 RSCALE 4.86683618 DEL -1.09084542 RSCALE 4.91454156 DEL -0.79113805 RSCALE 4.96271455 DEL -0.55106127 RSCALE 5.01135975 DEL -0.35263006 RSCALE 5.06048177 DEL -0.18431499 RSCALE 5.11008529 DEL -0.03836515 RSCALE 5.16017503 DEL -0.00320733 RSCALE 5.17334188 DEL -0.00005881 RSCALE 5.17454305 DEL -0.00000009 RSCALE 5.17456549 DEL 0.00000000 RSCALE 5.17456552 CNORM= 9.95991E-01 0.0500 6.945E-03 I X 0.1000 -1.258E-02 X I 0.1500 -1.879E-02 X I 0.2000 -1.024E-02 X I 0.2500 4.504E-03 IX 0.3000 1.751E-02 I X 0.3500 2.435E-02 I X 0.4000 2.395E-02 I X 0.4500 1.744E-02 I X 0.5000 7.074E-03 I X 0.5500 -4.698E-03 XI 0.6000 -1.572E-02 X I 0.6500 -2.439E-02 X I 0.7000 -2.979E-02 X I 0.7500 -3.156E-02 X I 0.8000 -2.983E-02 X I 0.8500 -2.507E-02 X I 0.9000 -1.799E-02 X I 0.9500 -9.352E-03 X I 1.0000 2.836E-05 X 1.1000 1.817E-02 I X 1.2000 3.189E-02 I X 1.3000 3.871E-02 I X 1.4000 3.811E-02 I X 1.5000 3.100E-02 I X 1.6000 1.914E-02 I X 1.7000 4.638E-03 IX 1.8000 -1.047E-02 X I 1.9000 -2.444E-02 X I 2.0000 -3.594E-02 X I 2.1000 -4.412E-02 X I 2.2000 -4.857E-02 X I 2.3000 -4.923E-02 X I 2.4000 -4.635E-02 X I 2.5000 -4.039E-02 X I 2.6000 -3.195E-02 X I 2.7000 -2.168E-02 X I 2.8000 -1.026E-02 X I 2.9000 1.681E-03 X 3.0000 1.355E-02 I X 3.1000 2.483E-02 I X 3.2000 3.513E-02 I X 3.3000 4.410E-02 I X 3.4000 5.151E-02 I X 3.5000 5.720E-02 I X 3.6000 6.109E-02 I X 3.7000 6.318E-02 I X 3.8000 6.350E-02 I X 3.9000 6.213E-02 I X 4.0000 5.921E-02 I X 4.1000 5.488E-02 I X 4.2000 4.932E-02 I X 4.3000 4.270E-02 I X 4.4000 3.520E-02 I X 4.5000 2.703E-02 I X 4.6000 1.836E-02 I X 4.7000 9.358E-03 I X 4.8000 2.023E-04 X 4.9000 -8.958E-03 X I 5.0000 -1.798E-02 X I 5.2000 -3.513E-02 X I 5.4000 -5.041E-02 X I 5.6000 -6.320E-02 X I 5.8000 -7.313E-02 X I 6.0000 -7.996E-02 X I 6.2000 -8.367E-02 X I 6.4000 -8.432E-02 X I 6.6000 -8.210E-02 X I 6.8000 -7.726E-02 X I 7.0000 -7.012E-02 X I 7.2000 -6.100E-02 X I 7.4000 -5.026E-02 X I 7.6000 -3.826E-02 X I 7.8000 -2.536E-02 X I 8.0000 -1.189E-02 X I 8.2000 1.841E-03 X 8.4000 1.553E-02 I X 8.6000 2.893E-02 I X 8.8000 4.179E-02 I X 9.0000 5.392E-02 I X 9.2000 6.514E-02 I X 9.4000 7.531E-02 I X 9.6000 8.430E-02 I X 9.8000 9.203E-02 I X 10.0000 9.843E-02 I X 10.2500 1.045E-01 I X 10.5000 1.084E-01 I X 10.7500 1.101E-01 I X 11.0000 1.097E-01 I X 11.2500 1.072E-01 I X 11.5000 1.029E-01 I X 11.7500 9.669E-02 I X 12.0000 8.890E-02 I X 12.2500 7.967E-02 I X 12.5000 6.918E-02 I X 12.7500 5.762E-02 I X 13.0000 4.520E-02 I X 13.2500 3.213E-02 I X 13.5000 1.860E-02 I X 13.7500 4.813E-03 IX 14.0000 -9.039E-03 X I 14.2500 -2.277E-02 X I 14.5000 -3.622E-02 X I 14.7500 -4.921E-02 X I 15.0000 -6.160E-02 X I 15.5000 -8.405E-02 X I 16.0000 -1.027E-01 X I 16.5000 -1.169E-01 X I 17.0000 -1.262E-01 X I 17.5000 -1.305E-01 X I 18.0000 -1.298E-01 X I 18.5000 -1.244E-01 X I 19.0000 -1.146E-01 X I 19.5000 -1.009E-01 X I 20.0000 -8.399E-02 X I 20.5000 -6.446E-02 X I 21.0000 -4.299E-02 X I 21.5000 -2.029E-02 X I 22.0000 2.980E-03 IX 22.5000 2.617E-02 I X 23.0000 4.870E-02 I X 23.5000 7.003E-02 I X 24.0000 8.972E-02 I X 24.5000 1.074E-01 I X 25.0000 1.227E-01 I X 25.5000 1.354E-01 I X 26.0000 1.453E-01 I X 26.5000 1.524E-01 I X 27.0000 1.567E-01 I X 27.5000 1.581E-01 I X 28.0000 1.567E-01 I X 28.5000 1.527E-01 I X 29.0000 1.463E-01 I X 29.5000 1.375E-01 I X 30.0000 1.267E-01 I X 31.0000 9.980E-02 I X 32.0000 6.757E-02 I X 33.0000 3.198E-02 I X 34.0000 -5.086E-03 XI 35.0000 -4.196E-02 X I 36.0000 -7.723E-02 X I 37.0000 -1.098E-01 X I 38.0000 -1.388E-01 X I 39.0000 -1.636E-01 X I 40.0000 -1.841E-01 X I 41.0000 -2.000E-01 X I 42.0000 -2.116E-01 X I 43.0000 -2.190E-01 X I 44.0000 -2.225E-01 X I 45.0000 -2.226E-01 X I 46.0000 -2.197E-01 X I 47.0000 -2.143E-01 X I 48.0000 -2.068E-01 X I 49.0000 -1.977E-01 X I 50.0000 -1.874E-01 X I 52.0000 -1.645E-01 X I 54.0000 -1.407E-01 X I 56.0000 -1.175E-01 X I 58.0000 -9.621E-02 X I 60.0000 -7.738E-02 X I 62.0000 -6.126E-02 X I 64.0000 -4.781E-02 X I 66.0000 -3.683E-02 X I 68.0000 -2.804E-02 X I 70.0000 -2.112E-02 X I 72.0000 -1.575E-02 X I 74.0000 -1.164E-02 X I 76.0000 -8.530E-03 X I 78.0000 -6.200E-03 X I 80.0000 -4.474E-03 XI 82.0000 -3.206E-03 XI 84.0000 -2.283E-03 XI 0.0 0.0 0.0 0.0 W d8 13s d8 13s 154155.7 137155.7 FIXEDHF 17000.0 32 28.01 CONFIG=d8 13s d8 L=0 ELIM= 161648.800 N=13 E= 154155.700 E= -0.06828215 Z=2.0000 L=0.0000 STEP=-.0500 NUM= 16500 NSAVE=16500 IRREG=0 IFITER=99 NNODES=12 NUMR 15961 NUMS 15961 NUML 16499 RS 27.013 RL 0.125 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 RMAX -1.00000000 RMIN 1.54500000 RSCALE 1.59135000 RMAX -1.00000000 RMIN 1.59135000 RSCALE 1.63909050 RMAX -1.00000000 RMIN 1.63909050 RSCALE 1.68826322 RMAX -1.00000000 RMIN 1.68826322 RSCALE 1.73891111 RMAX -1.00000000 RMIN 1.73891111 RSCALE 1.79107844 RMAX -1.00000000 RMIN 1.79107844 RSCALE 1.84481080 RMAX -1.00000000 RMIN 1.84481080 RSCALE 1.90015512 RMAX -1.00000000 RMIN 1.90015512 RSCALE 1.95715978 RMAX -1.00000000 RMIN 1.95715978 RSCALE 2.01587457 RMAX -1.00000000 RMIN 2.01587457 RSCALE 2.07635081 RMAX -1.00000000 RMIN 2.07635081 RSCALE 2.13864133 RMAX -1.00000000 RMIN 2.13864133 RSCALE 2.20280057 RMAX -1.00000000 RMIN 2.20280057 RSCALE 2.26888459 RMAX -1.00000000 RMIN 2.26888459 RSCALE 2.33695112 RMAX -1.00000000 RMIN 2.33695112 RSCALE 2.40705966 RMAX -1.00000000 RMIN 2.40705966 RSCALE 2.47927145 RMAX -1.00000000 RMIN 2.47927145 RSCALE 2.55364959 RMAX -1.00000000 RMIN 2.55364959 RSCALE 2.63025908 RMAX -1.00000000 RMIN 2.63025908 RSCALE 2.70916685 RMAX -1.00000000 RMIN 2.70916685 RSCALE 2.79044186 RMAX -1.00000000 RMIN 2.79044186 RSCALE 2.87415511 RMAX -1.00000000 RMIN 2.87415511 RSCALE 2.96037977 RMAX -1.00000000 RMIN 2.96037977 RSCALE 3.04919116 RMAX -1.00000000 RMIN 3.04919116 RSCALE 3.14066689 RMAX -1.00000000 RMIN 3.14066689 RSCALE 3.23488690 RMAX -1.00000000 RMIN 3.23488690 RSCALE 3.33193351 RMAX -1.00000000 RMIN 3.33193351 RSCALE 3.43189151 RMAX -1.00000000 RMIN 3.43189151 RSCALE 3.53484826 RMAX -1.00000000 RMIN 3.53484826 RSCALE 3.64089371 RMAX -1.00000000 RMIN 3.64089371 RSCALE 3.75012052 RMAX -1.00000000 RMIN 3.75012052 RSCALE 3.86262413 RMAX -1.00000000 RMIN 3.86262413 RSCALE 3.97850286 RMAX -1.00000000 RMIN 3.97850286 RSCALE 4.09785794 RMAX -1.00000000 RMIN 4.09785794 RSCALE 4.22079368 RMAX -1.00000000 RMIN 4.22079368 RSCALE 4.34741749 RMAX -1.00000000 RMIN 4.34741749 RSCALE 4.47784002 RMAX -1.00000000 RMIN 4.47784002 RSCALE 4.61217522 RMAX -1.00000000 RMIN 4.61217522 RSCALE 4.75054047 RMAX -1.00000000 RMIN 4.75054047 RSCALE 4.89305669 RMAX -1.00000000 RMIN 4.89305669 RSCALE 5.03984839 RMAX -1.00000000 RMIN 5.03984839 RSCALE 5.19104384 RMAX -1.00000000 RMIN 5.19104384 RSCALE 5.34677516 RMAX -1.00000000 RMIN 5.34677516 RSCALE 5.50717841 RMAX -1.00000000 RMIN 5.50717841 RSCALE 5.67239376 RMAX -1.00000000 RMIN 5.67239376 RSCALE 5.84256558 RMAX -1.00000000 RMIN 5.84256558 RSCALE 6.01784254 DEL -12.71388174 RSCALE 6.01784254 DEL -5.71107221 RSCALE 6.07683024 DEL -3.73358233 RSCALE 6.12493708 DEL -2.44777919 RSCALE 6.18497453 DEL -1.68923485 RSCALE 6.24560048 DEL -1.18345270 RSCALE 6.30682069 DEL -0.81810561 RSCALE 6.36864100 DEL -0.53864963 RSCALE 6.43106727 DEL -0.31536685 RSCALE 6.49410545 DEL -0.13065013 RSCALE 6.55776154 DEL -0.01794596 RSCALE 6.60278550 DEL -0.00111792 RSCALE 6.60995469 DEL -0.00000995 RSCALE 6.61043095 DEL -0.00000001 RSCALE 6.61043523 CNORM= 9.94727E-01 0.0500 6.372E-03 I X 0.1000 -1.179E-02 X I 0.1500 -1.723E-02 X I 0.2000 -8.795E-03 X I 0.2500 5.158E-03 IX 0.3000 1.698E-02 I X 0.3500 2.254E-02 I X 0.4000 2.104E-02 I X 0.4500 1.386E-02 I X 0.5000 3.404E-03 IX 0.5500 -7.796E-03 X I 0.6000 -1.762E-02 X I 0.6500 -2.460E-02 X I 0.7000 -2.798E-02 X I 0.7500 -2.763E-02 X I 0.8000 -2.392E-02 X I 0.8500 -1.754E-02 X I 0.9000 -9.340E-03 X I 0.9500 -2.475E-04 X 1.0000 8.877E-03 I X 1.1000 2.438E-02 I X 1.2000 3.311E-02 I X 1.3000 3.368E-02 I X 1.4000 2.683E-02 I X 1.5000 1.466E-02 I X 1.6000 -1.390E-04 X 1.7000 -1.496E-02 X I 1.8000 -2.764E-02 X I 1.9000 -3.668E-02 X I 2.0000 -4.130E-02 X I 2.1000 -4.133E-02 X I 2.2000 -3.713E-02 X I 2.3000 -2.942E-02 X I 2.4000 -1.912E-02 X I 2.5000 -7.253E-03 X I 2.6000 5.168E-03 IX 2.7000 1.724E-02 I X 2.8000 2.818E-02 I X 2.9000 3.740E-02 I X 3.0000 4.447E-02 I X 3.1000 4.914E-02 I X 3.2000 5.132E-02 I X 3.3000 5.104E-02 I X 3.4000 4.846E-02 I X 3.5000 4.381E-02 I X 3.6000 3.741E-02 I X 3.7000 2.957E-02 I X 3.8000 2.067E-02 I X 3.9000 1.106E-02 I X 4.0000 1.084E-03 X 4.1000 -8.925E-03 X I 4.2000 -1.868E-02 X I 4.3000 -2.791E-02 X I 4.4000 -3.640E-02 X I 4.5000 -4.397E-02 X I 4.6000 -5.047E-02 X I 4.7000 -5.582E-02 X I 4.8000 -5.993E-02 X I 4.9000 -6.277E-02 X I 5.0000 -6.434E-02 X I 5.2000 -6.380E-02 X I 5.4000 -5.871E-02 X I 5.6000 -4.978E-02 X I 5.8000 -3.783E-02 X I 6.0000 -2.374E-02 X I 6.2000 -8.409E-03 X I 6.4000 7.340E-03 I X 6.6000 2.277E-02 I X 6.8000 3.724E-02 I X 7.0000 5.024E-02 I X 7.2000 6.139E-02 I X 7.4000 7.040E-02 I X 7.6000 7.710E-02 I X 7.8000 8.142E-02 I X 8.0000 8.337E-02 I X 8.2000 8.301E-02 I X 8.4000 8.049E-02 I X 8.6000 7.597E-02 I X 8.8000 6.966E-02 I X 9.0000 6.178E-02 I X 9.2000 5.259E-02 I X 9.4000 4.233E-02 I X 9.6000 3.124E-02 I X 9.8000 1.957E-02 I X 10.0000 7.555E-03 I X 10.2500 -7.627E-03 X I 10.5000 -2.262E-02 X I 10.7500 -3.707E-02 X I 11.0000 -5.067E-02 X I 11.2500 -6.317E-02 X I 11.5000 -7.434E-02 X I 11.7500 -8.402E-02 X I 12.0000 -9.209E-02 X I 12.2500 -9.845E-02 X I 12.5000 -1.031E-01 X I 12.7500 -1.059E-01 X I 13.0000 -1.070E-01 X I 13.2500 -1.064E-01 X I 13.5000 -1.041E-01 X I 13.7500 -1.003E-01 X I 14.0000 -9.503E-02 X I 14.2500 -8.842E-02 X I 14.5000 -8.060E-02 X I 14.7500 -7.170E-02 X I 15.0000 -6.188E-02 X I 15.5000 -4.005E-02 X I 16.0000 -1.630E-02 X I 16.5000 8.197E-03 I X 17.0000 3.235E-02 I X 17.5000 5.516E-02 I X 18.0000 7.578E-02 I X 18.5000 9.349E-02 I X 19.0000 1.078E-01 I X 19.5000 1.182E-01 I X 20.0000 1.246E-01 I X 20.5000 1.269E-01 I X 21.0000 1.253E-01 I X 21.5000 1.198E-01 I X 22.0000 1.107E-01 I X 22.5000 9.856E-02 I X 23.0000 8.370E-02 I X 23.5000 6.664E-02 I X 24.0000 4.787E-02 I X 24.5000 2.793E-02 I X 25.0000 7.324E-03 I X 25.5000 -1.345E-02 X I 26.0000 -3.394E-02 X I 26.5000 -5.370E-02 X I 27.0000 -7.235E-02 X I 27.5000 -8.957E-02 X I 28.0000 -1.051E-01 X I 28.5000 -1.186E-01 X I 29.0000 -1.300E-01 X I 29.5000 -1.391E-01 X I 30.0000 -1.459E-01 X I 31.0000 -1.525E-01 X I 32.0000 -1.498E-01 X I 33.0000 -1.386E-01 X I 34.0000 -1.201E-01 X I 35.0000 -9.571E-02 X I 36.0000 -6.691E-02 X I 37.0000 -3.524E-02 X I 38.0000 -2.148E-03 XI 39.0000 3.104E-02 I X 40.0000 6.317E-02 I X 41.0000 9.332E-02 I X 42.0000 1.208E-01 I X 43.0000 1.450E-01 I X 44.0000 1.656E-01 I X 45.0000 1.825E-01 I X 46.0000 1.956E-01 I X 47.0000 2.051E-01 I X 48.0000 2.112E-01 I X 49.0000 2.140E-01 I X 50.0000 2.140E-01 I X 52.0000 2.069E-01 I X 54.0000 1.926E-01 I X 56.0000 1.739E-01 I X 58.0000 1.528E-01 I X 60.0000 1.314E-01 I X 62.0000 1.107E-01 I X 64.0000 9.166E-02 I X 66.0000 7.473E-02 I X 68.0000 6.008E-02 I X 70.0000 4.769E-02 I X 72.0000 3.741E-02 I X 74.0000 2.904E-02 I X 76.0000 2.233E-02 I X 78.0000 1.701E-02 I X 80.0000 1.285E-02 I X 82.0000 9.629E-03 I X 84.0000 7.164E-03 I X 86.0000 5.294E-03 IX 88.0000 3.887E-03 IX 90.0000 2.837E-03 IX 0.0 0.0 0.0 0.0 X d7s2 d7 4s 4s 80509.5 54565.5 0.0 33 28.01 CONFIG=d7s2 d7 4s L=0 ELIM= 229263.300 N= 4 E= 80509.500 E= -1.35554444 Z=2.0000 L=0.0000 STEP=-.0500 NUM= 3300 NSAVE= 3300 IRREG=0 IFITER=99 NNODES= 3 NUMR 2761 NUMS 2761 NUML 3299 RS 27.013 RL 0.125 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 DEL 0.88743257 RSCALE 1.33273057 DEL 0.82378808 RSCALE 1.31979378 DEL 0.76018591 RSCALE 1.30698256 DEL 0.69639911 RSCALE 1.29429570 DEL 0.63220480 RSCALE 1.28173199 DEL 0.56738080 RSCALE 1.26929024 DEL 0.50170276 RSCALE 1.25696926 DEL 0.43494119 RSCALE 1.24476787 DEL 0.36685841 RSCALE 1.23268493 DEL 0.29720542 RSCALE 1.22071928 DEL 0.22571839 RSCALE 1.20886977 DEL 0.15211494 RSCALE 1.19713529 DEL 0.07608987 RSCALE 1.18551472 DEL -0.00268969 RSCALE 1.17400695 DEL 0.00006220 RSCALE 1.17439984 DEL 0.00000005 RSCALE 1.17439096 DEL 0.00000000 RSCALE 1.17439096 CNORM= 9.40329E-01 0.0500 8.069E-02 I X 0.1000 -1.044E-01 X I 0.1500 -2.060E-01 X I 0.2000 -1.917E-01 X I 0.2500 -1.029E-01 X I 0.3000 1.560E-02 IX 0.3500 1.320E-01 I X 0.4000 2.282E-01 I X 0.4500 2.962E-01 I X 0.5000 3.342E-01 I X 0.5500 3.445E-01 I X 0.6000 3.308E-01 I X 0.6500 2.978E-01 I X 0.7000 2.500E-01 I X 0.7500 1.916E-01 I X 0.8000 1.261E-01 I X 0.8500 5.658E-02 I X 0.9000 -1.454E-02 XI 0.9500 -8.535E-02 X I 1.0000 -1.544E-01 X I 1.1000 -2.831E-01 X I 1.2000 -3.954E-01 X I 1.3000 -4.892E-01 X I 1.4000 -5.648E-01 X I 1.5000 -6.231E-01 X I 1.6000 -6.659E-01 X I 1.7000 -6.953E-01 X I 1.8000 -7.131E-01 X I 1.9000 -7.211E-01 X I 2.0000 -7.210E-01 X I 2.1000 -7.143E-01 X I 2.2000 -7.022E-01 X I 2.3000 -6.860E-01 X I 2.4000 -6.664E-01 X I 2.5000 -6.443E-01 X I 2.6000 -6.203E-01 X I 2.7000 -5.951E-01 X I 2.8000 -5.690E-01 X I 2.9000 -5.424E-01 X I 3.0000 -5.157E-01 X I 3.1000 -4.890E-01 X I 3.2000 -4.627E-01 X I 3.3000 -4.369E-01 X I 3.4000 -4.117E-01 X I 3.5000 -3.873E-01 X I 3.6000 -3.636E-01 X I 3.7000 -3.409E-01 X I 3.8000 -3.191E-01 X I 3.9000 -2.982E-01 X I 4.0000 -2.784E-01 X I 4.1000 -2.595E-01 X I 4.2000 -2.416E-01 X I 4.3000 -2.247E-01 X I 4.4000 -2.087E-01 X I 4.5000 -1.937E-01 X I 4.6000 -1.796E-01 X I 4.7000 -1.663E-01 X I 4.8000 -1.539E-01 X I 4.9000 -1.423E-01 X I 5.0000 -1.315E-01 X I 5.2000 -1.119E-01 X I 5.4000 -9.502E-02 X I 5.6000 -8.045E-02 X I 5.8000 -6.794E-02 X I 6.0000 -5.725E-02 X I 6.2000 -4.814E-02 X I 6.4000 -4.040E-02 X I 6.6000 -3.384E-02 X I 6.8000 -2.829E-02 X I 7.0000 -2.362E-02 X I 7.2000 -1.968E-02 X I 7.4000 -1.638E-02 XI 7.6000 -1.361E-02 XI 7.8000 -1.130E-02 XI 8.0000 -9.368E-03 XI 8.2000 -7.757E-03 XI 0.0 0.0 0.0 0.0 X d7s2 d6s2 3d 80509.5 54565.5 0.0 33 28.01 CONFIG=d7s2 d6s2 L=2 ELIM= 344113.400 N= 3 E= 80509.500 E= -2.40213561 Z=2.0000 L=2.0000 STEP=-.0500 NUM= 3000 NSAVE= 3000 IRREG=0 IFITER=99 NNODES= 0 NUMR 2461 NUMS 2461 NUML 2986 RS 27.013 RL 0.750 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 RMAX 1.33273057 RMIN -1.00000000 RSCALE 1.29391318 RMAX 1.29391318 RMIN -1.00000000 RSCALE 1.25622639 DEL -27.18870603 RSCALE 1.25622639 DEL -83.06398556 RSCALE 1.26854008 DEL -27.18870603 RSCALE 1.25622639 DEL -19.49052185 RSCALE 1.25023458 DEL -11.45580620 RSCALE 1.23809858 DEL -7.42365751 RSCALE 1.22608037 DEL -5.02355288 RSCALE 1.21417883 DEL -3.44565485 RSCALE 1.20239281 DEL -2.33830849 RSCALE 1.19072120 DEL -1.52437895 RSCALE 1.17916289 DEL -0.90507368 RSCALE 1.16771677 DEL -0.42103178 RSCALE 1.15638177 DEL -0.07742081 RSCALE 1.14652229 DEL -0.00810909 RSCALE 1.14430080 DEL -0.00017586 RSCALE 1.14404090 DEL -0.00000041 RSCALE 1.14403514 DEL 0.00000000 RSCALE 1.14403512 CNORM= 1.73549E+00 0.0500 1.961E-02 IX 0.1000 1.045E-01 I X 0.1500 2.413E-01 I X 0.2000 4.006E-01 I X 0.2500 5.584E-01 I X 0.3000 7.003E-01 I X 0.3500 8.191E-01 I X 0.4000 9.123E-01 I X 0.4500 9.807E-01 I X 0.5000 1.027E+00 I X 0.5500 1.053E+00 I X 0.6000 1.063E+00 I X 0.6500 1.059E+00 I X 0.7000 1.044E+00 I X 0.7500 1.021E+00 I X 0.8000 9.921E-01 I X 0.8500 9.582E-01 I X 0.9000 9.211E-01 I X 0.9500 8.820E-01 I X 1.0000 8.416E-01 I X 1.1000 7.602E-01 I X 1.2000 6.810E-01 I X 1.3000 6.065E-01 I X 1.4000 5.377E-01 I X 1.5000 4.751E-01 I X 1.6000 4.189E-01 I X 1.7000 3.687E-01 I X 1.8000 3.240E-01 I X 1.9000 2.846E-01 I X 2.0000 2.497E-01 I X 2.1000 2.191E-01 I X 2.2000 1.921E-01 I X 2.3000 1.684E-01 I X 2.4000 1.476E-01 I X 2.5000 1.294E-01 I X 2.6000 1.134E-01 I X 2.7000 9.941E-02 I X 2.8000 8.712E-02 I X 2.9000 7.635E-02 I X 3.0000 6.690E-02 I X 3.1000 5.861E-02 I X 3.2000 5.134E-02 I X 3.3000 4.497E-02 I X 3.4000 3.938E-02 I X 3.5000 3.448E-02 I X 3.6000 3.018E-02 I X 3.7000 2.641E-02 IX 3.8000 2.311E-02 IX 3.9000 2.021E-02 IX 4.0000 1.768E-02 IX 4.1000 1.545E-02 IX 4.2000 1.351E-02 IX 4.3000 1.180E-02 IX 0.0 0.0 0.0 0.0 Y d7 4s5s d7 4s 5s 168669.5 141669.5 FIXEDHF 27000.0 34 28.01 CONFIG=d7 4s5s d7 4s L=0 ELIM= 229263.300 N= 5 E= 168669.500 E= -0.55217136 Z=2.0000 L=0.0000 STEP=-.0500 NUM= 5300 NSAVE= 5300 IRREG=0 IFITER=99 NNODES= 4 NUMR 4761 NUMS 4761 NUML 5299 RS 27.013 RL 0.125 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 DEL 0.93597379 RSCALE 1.45631068 DEL 0.88203811 RSCALE 1.44217429 DEL 0.82817226 RSCALE 1.42817513 DEL 0.77421879 RSCALE 1.41431186 DEL 0.72002321 RSCALE 1.40058315 DEL 0.66543225 RSCALE 1.38698771 DEL 0.61029212 RSCALE 1.37352424 DEL 0.55444699 RSCALE 1.36019146 DEL 0.49773688 RSCALE 1.34698811 DEL 0.43999603 RSCALE 1.33391291 DEL 0.38105146 RSCALE 1.32096464 DEL 0.32072053 RSCALE 1.30814206 DEL 0.25880834 RSCALE 1.29544394 DEL 0.19510661 RSCALE 1.28286909 DEL 0.12938981 RSCALE 1.27041630 DEL 0.06141246 RSCALE 1.25808439 DEL -0.00277313 RSCALE 1.24694342 DEL 0.00005844 RSCALE 1.24742477 DEL 0.00000006 RSCALE 1.24741483 DEL 0.00000000 RSCALE 1.24741482 CNORM= 9.86321E-01 0.0500 3.668E-02 I X 0.1000 -4.877E-02 X I 0.1500 -9.432E-02 X I 0.2000 -8.543E-02 X I 0.2500 -4.221E-02 X I 0.3000 1.375E-02 I X 0.3500 6.730E-02 I X 0.4000 1.100E-01 I X 0.4500 1.381E-01 I X 0.5000 1.514E-01 I X 0.5500 1.511E-01 I X 0.6000 1.394E-01 I X 0.6500 1.188E-01 I X 0.7000 9.172E-02 I X 0.7500 6.026E-02 I X 0.8000 2.630E-02 I X 0.8500 -8.626E-03 XI 0.9000 -4.331E-02 X I 0.9500 -7.679E-02 X I 1.0000 -1.084E-01 X I 1.1000 -1.641E-01 X I 1.2000 -2.081E-01 X I 1.3000 -2.399E-01 X I 1.4000 -2.599E-01 X I 1.5000 -2.692E-01 X I 1.6000 -2.691E-01 X I 1.7000 -2.607E-01 X I 1.8000 -2.455E-01 X I 1.9000 -2.246E-01 X I 2.0000 -1.992E-01 X I 2.1000 -1.701E-01 X I 2.2000 -1.382E-01 X I 2.3000 -1.043E-01 X I 2.4000 -6.897E-02 X I 2.5000 -3.281E-02 X I 2.6000 3.727E-03 X 2.7000 4.023E-02 I X 2.8000 7.635E-02 I X 2.9000 1.118E-01 I X 3.0000 1.463E-01 I X 3.1000 1.796E-01 I X 3.2000 2.117E-01 I X 3.3000 2.422E-01 I X 3.4000 2.712E-01 I X 3.5000 2.984E-01 I X 3.6000 3.239E-01 I X 3.7000 3.476E-01 I X 3.8000 3.695E-01 I X 3.9000 3.895E-01 I X 4.0000 4.077E-01 I X 4.1000 4.240E-01 I X 4.2000 4.385E-01 I X 4.3000 4.513E-01 I X 4.4000 4.624E-01 I X 4.5000 4.719E-01 I X 4.6000 4.797E-01 I X 4.7000 4.860E-01 I X 4.8000 4.909E-01 I X 4.9000 4.944E-01 I X 5.0000 4.966E-01 I X 5.2000 4.973E-01 I X 5.4000 4.938E-01 I X 5.6000 4.865E-01 I X 5.8000 4.760E-01 I X 6.0000 4.630E-01 I X 6.2000 4.478E-01 I X 6.4000 4.309E-01 I X 6.6000 4.128E-01 I X 6.8000 3.938E-01 I X 7.0000 3.742E-01 I X 7.2000 3.543E-01 I X 7.4000 3.344E-01 I X 7.6000 3.146E-01 I X 7.8000 2.952E-01 I X 8.0000 2.762E-01 I X 8.2000 2.578E-01 I X 8.4000 2.400E-01 I X 8.6000 2.230E-01 I X 8.8000 2.067E-01 I X 9.0000 1.913E-01 I X 9.2000 1.767E-01 I X 9.4000 1.629E-01 I X 9.6000 1.499E-01 I X 9.8000 1.378E-01 I X 10.0000 1.264E-01 I X 10.2500 1.133E-01 I X 10.5000 1.013E-01 I X 10.7500 9.042E-02 I X 11.0000 8.055E-02 I X 11.2500 7.162E-02 I X 11.5000 6.357E-02 I X 11.7500 5.634E-02 I X 12.0000 4.985E-02 I X 12.2500 4.405E-02 I X 12.5000 3.886E-02 I X 12.7500 3.424E-02 I X 13.0000 3.013E-02 I X 13.2500 2.648E-02 I X 13.5000 2.325E-02 I X 13.7500 2.038E-02 I X 14.0000 1.785E-02 I X 14.2500 1.562E-02 I X 14.5000 1.366E-02 I X 14.7500 1.193E-02 IX 15.0000 1.040E-02 IX 15.5000 7.899E-03 IX 16.0000 5.977E-03 IX 0.0 0.0 0.0 0.0 Z d7 4s6s d7 4s 6s 196401.0 169401.0 FIXEDHF 27000.0 35 28.01 CONFIG=d7 4s6s d7 4s L=0 ELIM= 229263.300 N= 6 E= 196401.000 E= -0.29946333 Z=2.0000 L=0.0000 STEP=-.0500 NUM= 7300 NSAVE= 7300 IRREG=0 IFITER=99 NNODES= 5 NUMR 6761 NUMS 6761 NUML 7299 RS 27.013 RL 0.125 DEL 0.83670884 RSCALE 1.50000000 DEL 0.78341111 RSCALE 1.48543952 DEL 0.73054364 RSCALE 1.47102038 DEL 0.67739716 RSCALE 1.45674121 DEL 0.62382131 RSCALE 1.44260065 DEL 0.56966481 RSCALE 1.42859734 DEL 0.51477383 RSCALE 1.41472997 DEL 0.45898999 RSCALE 1.40099721 DEL 0.40214877 RSCALE 1.38739775 DEL 0.34407773 RSCALE 1.37393030 DEL 0.28459460 RSCALE 1.36059358 DEL 0.22350472 RSCALE 1.34738632 DEL 0.16059860 RSCALE 1.33430726 DEL 0.09564983 RSCALE 1.32135516 DEL 0.02841114 RSCALE 1.30852879 DEL -0.00095871 RSCALE 1.30310911 DEL 0.00000949 RSCALE 1.30328602 DEL 0.00000000 RSCALE 1.30328429 CNORM= 9.94915E-01 0.0500 2.247E-02 I X 0.1000 -3.042E-02 X I 0.1500 -5.806E-02 X I 0.2000 -5.163E-02 X I 0.2500 -2.400E-02 X I 0.3000 1.108E-02 I X 0.3500 4.407E-02 I X 0.4000 6.967E-02 I X 0.4500 8.577E-02 I X 0.5000 9.224E-02 I X 0.5500 9.008E-02 I X 0.6000 8.083E-02 I X 0.6500 6.614E-02 I X 0.7000 4.763E-02 I X 0.7500 2.673E-02 I X 0.8000 4.642E-03 IX 0.8500 -1.764E-02 X I 0.9000 -3.934E-02 X I 0.9500 -5.987E-02 X I 1.0000 -7.882E-02 X I 1.1000 -1.109E-01 X I 1.2000 -1.344E-01 X I 1.3000 -1.492E-01 X I 1.4000 -1.560E-01 X I 1.5000 -1.555E-01 X I 1.6000 -1.489E-01 X I 1.7000 -1.372E-01 X I 1.8000 -1.213E-01 X I 1.9000 -1.022E-01 X I 2.0000 -8.059E-02 X I 2.1000 -5.728E-02 X I 2.2000 -3.284E-02 X I 2.3000 -7.806E-03 XI 2.4000 1.736E-02 I X 2.5000 4.226E-02 I X 2.6000 6.658E-02 I X 2.7000 9.002E-02 I X 2.8000 1.124E-01 I X 2.9000 1.334E-01 I X 3.0000 1.530E-01 I X 3.1000 1.709E-01 I X 3.2000 1.872E-01 I X 3.3000 2.017E-01 I X 3.4000 2.143E-01 I X 3.5000 2.251E-01 I X 3.6000 2.339E-01 I X 3.7000 2.409E-01 I X 3.8000 2.460E-01 I X 3.9000 2.492E-01 I X 4.0000 2.507E-01 I X 4.1000 2.503E-01 I X 4.2000 2.483E-01 I X 4.3000 2.447E-01 I X 4.4000 2.395E-01 I X 4.5000 2.328E-01 I X 4.6000 2.248E-01 I X 4.7000 2.155E-01 I X 4.8000 2.050E-01 I X 4.9000 1.934E-01 I X 5.0000 1.809E-01 I X 5.2000 1.531E-01 I X 5.4000 1.224E-01 I X 5.6000 8.957E-02 I X 5.8000 5.525E-02 I X 6.0000 2.006E-02 I X 6.2000 -1.542E-02 X I 6.4000 -5.070E-02 X I 6.6000 -8.532E-02 X I 6.8000 -1.189E-01 X I 7.0000 -1.511E-01 X I 7.2000 -1.817E-01 X I 7.4000 -2.104E-01 X I 7.6000 -2.371E-01 X I 7.8000 -2.616E-01 X I 8.0000 -2.840E-01 X I 8.2000 -3.040E-01 X I 8.4000 -3.217E-01 X I 8.6000 -3.372E-01 X I 8.8000 -3.505E-01 X I 9.0000 -3.615E-01 X I 9.2000 -3.705E-01 X I 9.4000 -3.775E-01 X I 9.6000 -3.826E-01 X I 9.8000 -3.858E-01 X I 10.0000 -3.874E-01 X I 10.2500 -3.873E-01 X I 10.5000 -3.849E-01 X I 10.7500 -3.805E-01 X I 11.0000 -3.745E-01 X I 11.2500 -3.669E-01 X I 11.5000 -3.581E-01 X I 11.7500 -3.481E-01 X I 12.0000 -3.373E-01 X I 12.2500 -3.257E-01 X I 12.5000 -3.137E-01 X I 12.7500 -3.012E-01 X I 13.0000 -2.884E-01 X I 13.2500 -2.755E-01 X I 13.5000 -2.625E-01 X I 13.7500 -2.496E-01 X I 14.0000 -2.368E-01 X I 14.2500 -2.242E-01 X I 14.5000 -2.119E-01 X I 14.7500 -1.999E-01 X I 15.0000 -1.883E-01 X I 15.5000 -1.661E-01 X I 16.0000 -1.457E-01 X I 16.5000 -1.271E-01 X I 17.0000 -1.103E-01 X I 17.5000 -9.529E-02 X I 18.0000 -8.195E-02 X I 18.5000 -7.018E-02 X I 19.0000 -5.987E-02 X I 19.5000 -5.089E-02 X I 20.0000 -4.312E-02 X I 20.5000 -3.642E-02 X I 21.0000 -3.066E-02 X I 21.5000 -2.575E-02 X I 22.0000 -2.156E-02 X I 22.5000 -1.801E-02 X I 23.0000 -1.501E-02 X I 23.5000 -1.248E-02 X I 24.0000 -1.036E-02 XI 24.5000 -8.574E-03 XI 25.0000 -7.086E-03 XI 25.5000 -5.844E-03 XI 26.0000 -4.812E-03 XI 26.5000 -3.955E-03 XI 0.0 0.0 0.0 0.0 a d7 4s7s d7 4s 7s 208059.2 181059.2 FIXEDHF 27000.0 36 28.01 CONFIG=d7 4s7s d7 4s L=0 ELIM= 229263.300 N= 7 E= 208059.200 E= -0.19322599 Z=2.0000 L=0.0000 STEP=-.0500 NUM= 9300 NSAVE= 9300 IRREG=0 IFITER=99 NNODES= 6 NUMR 8761 NUMS 8761 NUML 9299 RS 27.013 RL 0.125 DEL 0.31266188 RSCALE 1.50000000 DEL 0.25028714 RSCALE 1.48543952 DEL 0.18708206 RSCALE 1.47102038 DEL 0.12189314 RSCALE 1.45674121 DEL 0.05446323 RSCALE 1.44260065 DEL -0.00233638 RSCALE 1.43117929 DEL 0.00004414 RSCALE 1.43164909 DEL 0.00000001 RSCALE 1.43164038 DEL -0.00000001 RSCALE 1.43164038 DEL -0.00000001 RSCALE 1.43164038 DEL 0.00000017 RSCALE 1.43164042 DEL 0.00000000 RSCALE 1.43164038 CNORM= 9.97635E-01 0.0500 1.574E-02 I X 0.1000 -2.208E-02 X I 0.1500 -4.104E-02 X I 0.2000 -3.515E-02 X I 0.2500 -1.422E-02 X I 0.3000 1.140E-02 I X 0.3500 3.463E-02 I X 0.4000 5.168E-02 I X 0.4500 6.120E-02 I X 0.5000 6.335E-02 I X 0.5500 5.911E-02 I X 0.6000 4.982E-02 I X 0.6500 3.688E-02 I X 0.7000 2.161E-02 I X 0.7500 5.141E-03 IX 0.8000 -1.159E-02 X I 0.8500 -2.785E-02 X I 0.9000 -4.308E-02 X I 0.9500 -5.689E-02 X I 1.0000 -6.901E-02 X I 1.1000 -8.765E-02 X I 1.2000 -9.865E-02 X I 1.3000 -1.025E-01 X I 1.4000 -1.000E-01 X I 1.5000 -9.231E-02 X I 1.6000 -8.042E-02 X I 1.7000 -6.537E-02 X I 1.8000 -4.805E-02 X I 1.9000 -2.925E-02 X I 2.0000 -9.640E-03 X I 2.1000 1.021E-02 I X 2.2000 2.984E-02 I X 2.3000 4.887E-02 I X 2.4000 6.700E-02 I X 2.5000 8.398E-02 I X 2.6000 9.962E-02 I X 2.7000 1.138E-01 I X 2.8000 1.264E-01 I X 2.9000 1.373E-01 I X 3.0000 1.465E-01 I X 3.1000 1.540E-01 I X 3.2000 1.597E-01 I X 3.3000 1.637E-01 I X 3.4000 1.661E-01 I X 3.5000 1.668E-01 I X 3.6000 1.659E-01 I X 3.7000 1.635E-01 I X 3.8000 1.596E-01 I X 3.9000 1.544E-01 I X 4.0000 1.479E-01 I X 4.1000 1.402E-01 I X 4.2000 1.314E-01 I X 4.3000 1.216E-01 I X 4.4000 1.109E-01 I X 4.5000 9.937E-02 I X 4.6000 8.719E-02 I X 4.7000 7.441E-02 I X 4.8000 6.114E-02 I X 4.9000 4.749E-02 I X 5.0000 3.353E-02 I X 5.2000 5.106E-03 IX 5.4000 -2.344E-02 X I 5.6000 -5.149E-02 X I 5.8000 -7.847E-02 X I 6.0000 -1.039E-01 X I 6.2000 -1.274E-01 X I 6.4000 -1.485E-01 X I 6.6000 -1.671E-01 X I 6.8000 -1.830E-01 X I 7.0000 -1.960E-01 X I 7.2000 -2.060E-01 X I 7.4000 -2.130E-01 X I 7.6000 -2.171E-01 X I 7.8000 -2.182E-01 X I 8.0000 -2.166E-01 X I 8.2000 -2.124E-01 X I 8.4000 -2.056E-01 X I 8.6000 -1.965E-01 X I 8.8000 -1.853E-01 X I 9.0000 -1.721E-01 X I 9.2000 -1.572E-01 X I 9.4000 -1.408E-01 X I 9.6000 -1.231E-01 X I 9.8000 -1.043E-01 X I 10.0000 -8.457E-02 X I 10.2500 -5.897E-02 X I 10.5000 -3.263E-02 X I 10.7500 -5.908E-03 XI 11.0000 2.088E-02 I X 11.2500 4.745E-02 I X 11.5000 7.354E-02 I X 11.7500 9.893E-02 I X 12.0000 1.234E-01 I X 12.2500 1.468E-01 I X 12.5000 1.690E-01 I X 12.7500 1.898E-01 I X 13.0000 2.092E-01 I X 13.2500 2.271E-01 I X 13.5000 2.435E-01 I X 13.7500 2.583E-01 I X 14.0000 2.716E-01 I X 14.2500 2.832E-01 I X 14.5000 2.933E-01 I X 14.7500 3.019E-01 I X 15.0000 3.091E-01 I X 15.5000 3.191E-01 I X 16.0000 3.240E-01 I X 16.5000 3.244E-01 I X 17.0000 3.207E-01 I X 17.5000 3.136E-01 I X 18.0000 3.038E-01 I X 18.5000 2.917E-01 I X 19.0000 2.780E-01 I X 19.5000 2.631E-01 I X 20.0000 2.474E-01 I X 20.5000 2.313E-01 I X 21.0000 2.150E-01 I X 21.5000 1.989E-01 I X 22.0000 1.831E-01 I X 22.5000 1.679E-01 I X 23.0000 1.533E-01 I X 23.5000 1.395E-01 I X 24.0000 1.264E-01 I X 24.5000 1.142E-01 I X 25.0000 1.029E-01 I X 25.5000 9.235E-02 I X 26.0000 8.269E-02 I X 26.5000 7.384E-02 I X 27.0000 6.576E-02 I X 27.5000 5.843E-02 I X 28.0000 5.180E-02 I X 28.5000 4.582E-02 I X 29.0000 4.044E-02 I X 29.5000 3.562E-02 I X 30.0000 3.132E-02 I X 31.0000 2.408E-02 I X 32.0000 1.839E-02 I X 33.0000 1.395E-02 I X 34.0000 1.053E-02 I X 35.0000 7.898E-03 IX 36.0000 5.897E-03 IX 37.0000 4.382E-03 IX 0.0 0.0 0.0 0.0 b d7 4s8s d7 4s 8s 214141.0 187141.0 FIXEDHF 27000.0 37 28.01 CONFIG=d7 4s8s d7 4s L=0 ELIM= 229263.300 N= 8 E= 214141.000 E= -0.13780454 Z=2.0000 L=0.0000 STEP=-.0500 NUM= 11200 NSAVE=11200 IRREG=0 IFITER=99 NNODES= 7 NUMR 10661 NUMS 10661 NUML 11199 RS 27.013 RL 0.125 DEL -0.82685117 RSCALE 1.50000000 DEL -0.70336151 RSCALE 1.51470320 DEL -0.58713371 RSCALE 1.52955052 DEL -0.47910783 RSCALE 1.54454338 DEL -0.37821411 RSCALE 1.55968321 DEL -0.28354751 RSCALE 1.57497143 DEL -0.19433583 RSCALE 1.59040951 DEL -0.10991483 RSCALE 1.60599892 DEL -0.02970864 RSCALE 1.62174113 DEL -0.00115620 RSCALE 1.62757210 DEL -0.00001238 RSCALE 1.62780822 DEL -0.00000001 RSCALE 1.62781078 CNORM= 9.98661E-01 0.0500 1.221E-02 I X 0.1000 -1.786E-02 X I 0.1500 -3.214E-02 X I 0.2000 -2.616E-02 X I 0.2500 -8.401E-03 X I 0.3000 1.237E-02 I X 0.3500 3.029E-02 I X 0.4000 4.237E-02 I X 0.4500 4.776E-02 I X 0.5000 4.685E-02 I X 0.5500 4.076E-02 I X 0.6000 3.081E-02 I X 0.6500 1.836E-02 I X 0.7000 4.595E-03 IX 0.7500 -9.466E-03 X I 0.8000 -2.303E-02 X I 0.8500 -3.552E-02 X I 0.9000 -4.651E-02 X I 0.9500 -5.575E-02 X I 1.0000 -6.309E-02 X I 1.1000 -7.200E-02 X I 1.2000 -7.367E-02 X I 1.3000 -6.911E-02 X I 1.4000 -5.962E-02 X I 1.5000 -4.647E-02 X I 1.6000 -3.085E-02 X I 1.7000 -1.380E-02 X I 1.8000 3.815E-03 IX 1.9000 2.131E-02 I X 2.0000 3.814E-02 I X 2.1000 5.388E-02 I X 2.2000 6.825E-02 I X 2.3000 8.102E-02 I X 2.4000 9.207E-02 I X 2.5000 1.013E-01 I X 2.6000 1.087E-01 I X 2.7000 1.143E-01 I X 2.8000 1.180E-01 I X 2.9000 1.201E-01 I X 3.0000 1.204E-01 I X 3.1000 1.192E-01 I X 3.2000 1.165E-01 I X 3.3000 1.125E-01 I X 3.4000 1.071E-01 I X 3.5000 1.006E-01 I X 3.6000 9.312E-02 I X 3.7000 8.468E-02 I X 3.8000 7.542E-02 I X 3.9000 6.547E-02 I X 4.0000 5.494E-02 I X 4.1000 4.392E-02 I X 4.2000 3.254E-02 I X 4.3000 2.090E-02 I X 4.4000 9.088E-03 I X 4.5000 -2.794E-03 XI 4.6000 -1.466E-02 X I 4.7000 -2.641E-02 X I 4.8000 -3.798E-02 X I 4.9000 -4.928E-02 X I 5.0000 -6.025E-02 X I 5.2000 -8.093E-02 X I 5.4000 -9.958E-02 X I 5.6000 -1.158E-01 X I 5.8000 -1.294E-01 X I 6.0000 -1.402E-01 X I 6.2000 -1.479E-01 X I 6.4000 -1.527E-01 X I 6.6000 -1.545E-01 X I 6.8000 -1.535E-01 X I 7.0000 -1.496E-01 X I 7.2000 -1.432E-01 X I 7.4000 -1.344E-01 X I 7.6000 -1.234E-01 X I 7.8000 -1.105E-01 X I 8.0000 -9.591E-02 X I 8.2000 -7.996E-02 X I 8.4000 -6.289E-02 X I 8.6000 -4.497E-02 X I 8.8000 -2.646E-02 X I 9.0000 -7.616E-03 XI 9.2000 1.132E-02 I X 9.4000 3.013E-02 I X 9.6000 4.859E-02 I X 9.8000 6.651E-02 I X 10.0000 8.372E-02 I X 10.2500 1.040E-01 I X 10.5000 1.226E-01 I X 10.7500 1.393E-01 I X 11.0000 1.541E-01 I X 11.2500 1.666E-01 I X 11.5000 1.769E-01 I X 11.7500 1.849E-01 I X 12.0000 1.905E-01 I X 12.2500 1.938E-01 I X 12.5000 1.948E-01 I X 12.7500 1.936E-01 I X 13.0000 1.903E-01 I X 13.2500 1.850E-01 I X 13.5000 1.777E-01 I X 13.7500 1.687E-01 I X 14.0000 1.581E-01 I X 14.2500 1.460E-01 I X 14.5000 1.327E-01 I X 14.7500 1.181E-01 I X 15.0000 1.026E-01 I X 15.5000 6.928E-02 I X 16.0000 3.385E-02 I X 16.5000 -2.545E-03 X 17.0000 -3.888E-02 X I 17.5000 -7.428E-02 X I 18.0000 -1.080E-01 X I 18.5000 -1.395E-01 X I 19.0000 -1.682E-01 X I 19.5000 -1.939E-01 X I 20.0000 -2.163E-01 X I 20.5000 -2.354E-01 X I 21.0000 -2.511E-01 X I 21.5000 -2.635E-01 X I 22.0000 -2.728E-01 X I 22.5000 -2.790E-01 X I 23.0000 -2.824E-01 X I 23.5000 -2.833E-01 X I 24.0000 -2.819E-01 X I 24.5000 -2.785E-01 X I 25.0000 -2.733E-01 X I 25.5000 -2.666E-01 X I 26.0000 -2.586E-01 X I 26.5000 -2.496E-01 X I 27.0000 -2.397E-01 X I 27.5000 -2.293E-01 X I 28.0000 -2.184E-01 X I 28.5000 -2.072E-01 X I 29.0000 -1.958E-01 X I 29.5000 -1.845E-01 X I 30.0000 -1.733E-01 X I 31.0000 -1.515E-01 X I 32.0000 -1.310E-01 X I 33.0000 -1.122E-01 X I 34.0000 -9.519E-02 X I 35.0000 -8.012E-02 X I 36.0000 -6.694E-02 X I 37.0000 -5.554E-02 X I 38.0000 -4.578E-02 X I 39.0000 -3.751E-02 X I 40.0000 -3.057E-02 X I 41.0000 -2.478E-02 X I 42.0000 -1.999E-02 X I 43.0000 -1.605E-02 X I 44.0000 -1.284E-02 X I 45.0000 -1.022E-02 X I 46.0000 -8.109E-03 X I 47.0000 -6.410E-03 XI 48.0000 -5.049E-03 XI 49.0000 -3.964E-03 XI 50.0000 -3.103E-03 XI 0.0 0.0 0.0 0.0 c d7 4s9s d7 4s 9s 217723.3 190723.3 FIXEDHF 27000.0 38 28.01 CONFIG=d7 4s9s d7 4s L=0 ELIM= 229263.300 N= 9 E= 217723.300 E= -0.10516022 Z=2.0000 L=0.0000 STEP=-.0500 NUM= 13000 NSAVE=13000 IRREG=0 IFITER=99 NNODES= 8 NUMR 12461 NUMS 12461 NUML 12999 RS 27.013 RL 0.125 DEL -71.38450599 RSCALE 1.50000000 DEL -23.37497328 RSCALE 1.51470320 DEL -17.39301703 RSCALE 1.52186192 DEL -11.17705755 RSCALE 1.53677942 DEL -8.07906277 RSCALE 1.55184314 DEL -6.21927205 RSCALE 1.56705451 DEL -4.97608940 RSCALE 1.58241499 DEL -4.08432341 RSCALE 1.59792603 DEL -3.41176827 RSCALE 1.61358912 DEL -2.88512638 RSCALE 1.62940573 DEL -2.46048354 RSCALE 1.64537739 DEL -2.10992350 RSCALE 1.66150560 DEL -1.81484851 RSCALE 1.67779190 DEL -1.56238842 RSCALE 1.69423784 DEL -1.34335131 RSCALE 1.71084499 DEL -1.15099511 RSCALE 1.72761492 DEL -0.98026050 RSCALE 1.74454923 DEL -0.82727494 RSCALE 1.76164954 DEL -0.68902222 RSCALE 1.77891746 DEL -0.56311628 RSCALE 1.79635465 DEL -0.44764310 RSCALE 1.81396276 DEL -0.34104767 RSCALE 1.83174346 DEL -0.24205179 RSCALE 1.84969846 DEL -0.14959323 RSCALE 1.86782945 DEL -0.06278010 RSCALE 1.88613816 DEL -0.00357309 RSCALE 1.89937836 DEL -0.00008781 RSCALE 1.90017740 DEL -0.00000012 RSCALE 1.90019753 DEL 0.00000000 RSCALE 1.90019756 CNORM= 9.98705E-01 0.0500 9.707E-03 I X 0.1000 -1.485E-02 X I 0.1500 -2.579E-02 X I 0.2000 -1.977E-02 X I 0.2500 -4.334E-03 XI 0.3000 1.285E-02 I X 0.3500 2.680E-02 I X 0.4000 3.514E-02 I X 0.4500 3.741E-02 I X 0.5000 3.425E-02 I X 0.5500 2.688E-02 I X 0.6000 1.668E-02 I X 0.6500 4.938E-03 IX 0.7000 -7.212E-03 X I 0.7500 -1.888E-02 X I 0.8000 -2.941E-02 X I 0.8500 -3.834E-02 X I 0.9000 -4.541E-02 X I 0.9500 -5.050E-02 X I 1.0000 -5.360E-02 X I 1.1000 -5.419E-02 X I 1.2000 -4.837E-02 X I 1.3000 -3.772E-02 X I 1.4000 -2.385E-02 X I 1.5000 -8.237E-03 X I 1.6000 7.922E-03 I X 1.7000 2.367E-02 I X 1.8000 3.829E-02 I X 1.9000 5.128E-02 I X 2.0000 6.234E-02 I X 2.1000 7.128E-02 I X 2.2000 7.804E-02 I X 2.3000 8.263E-02 I X 2.4000 8.512E-02 I X 2.5000 8.565E-02 I X 2.6000 8.434E-02 I X 2.7000 8.138E-02 I X 2.8000 7.693E-02 I X 2.9000 7.117E-02 I X 3.0000 6.427E-02 I X 3.1000 5.642E-02 I X 3.2000 4.778E-02 I X 3.3000 3.850E-02 I X 3.4000 2.874E-02 I X 3.5000 1.864E-02 I X 3.6000 8.325E-03 I X 3.7000 -2.082E-03 X 3.8000 -1.247E-02 X I 3.9000 -2.273E-02 X I 4.0000 -3.278E-02 X I 4.1000 -4.252E-02 X I 4.2000 -5.188E-02 X I 4.3000 -6.080E-02 X I 4.4000 -6.921E-02 X I 4.5000 -7.706E-02 X I 4.6000 -8.430E-02 X I 4.7000 -9.089E-02 X I 4.8000 -9.681E-02 X I 4.9000 -1.020E-01 X I 5.0000 -1.065E-01 X I 5.2000 -1.132E-01 X I 5.4000 -1.170E-01 X I 5.6000 -1.177E-01 X I 5.8000 -1.157E-01 X I 6.0000 -1.109E-01 X I 6.2000 -1.036E-01 X I 6.4000 -9.406E-02 X I 6.6000 -8.259E-02 X I 6.8000 -6.947E-02 X I 7.0000 -5.500E-02 X I 7.2000 -3.951E-02 X I 7.4000 -2.331E-02 X I 7.6000 -6.699E-03 XI 7.8000 1.003E-02 I X 8.0000 2.659E-02 I X 8.2000 4.274E-02 I X 8.4000 5.823E-02 I X 8.6000 7.286E-02 I X 8.8000 8.644E-02 I X 9.0000 9.882E-02 I X 9.2000 1.099E-01 I X 9.4000 1.195E-01 I X 9.6000 1.275E-01 I X 9.8000 1.340E-01 I X 10.0000 1.388E-01 I X 10.2500 1.426E-01 I X 10.5000 1.438E-01 I X 10.7500 1.426E-01 I X 11.0000 1.390E-01 I X 11.2500 1.331E-01 I X 11.5000 1.252E-01 I X 11.7500 1.153E-01 I X 12.0000 1.038E-01 I X 12.2500 9.077E-02 I X 12.5000 7.650E-02 I X 12.7500 6.120E-02 I X 13.0000 4.510E-02 I X 13.2500 2.844E-02 I X 13.5000 1.142E-02 I X 13.7500 -5.740E-03 XI 14.0000 -2.283E-02 X I 14.2500 -3.967E-02 X I 14.5000 -5.607E-02 X I 14.7500 -7.187E-02 X I 15.0000 -8.693E-02 X I 15.5000 -1.143E-01 X I 16.0000 -1.373E-01 X I 16.5000 -1.554E-01 X I 17.0000 -1.682E-01 X I 17.5000 -1.755E-01 X I 18.0000 -1.774E-01 X I 18.5000 -1.741E-01 X I 19.0000 -1.660E-01 X I 19.5000 -1.535E-01 X I 20.0000 -1.372E-01 X I 20.5000 -1.177E-01 X I 21.0000 -9.548E-02 X I 21.5000 -7.125E-02 X I 22.0000 -4.557E-02 X I 22.5000 -1.902E-02 X I 23.0000 7.888E-03 I X 23.5000 3.466E-02 I X 24.0000 6.087E-02 I X 24.5000 8.616E-02 I X 25.0000 1.102E-01 I X 25.5000 1.327E-01 I X 26.0000 1.535E-01 I X 26.5000 1.725E-01 I X 27.0000 1.895E-01 I X 27.5000 2.044E-01 I X 28.0000 2.173E-01 I X 28.5000 2.282E-01 I X 29.0000 2.370E-01 I X 29.5000 2.439E-01 I X 30.0000 2.490E-01 I X 31.0000 2.539E-01 I X 32.0000 2.528E-01 I X 33.0000 2.467E-01 I X 34.0000 2.366E-01 I X 35.0000 2.236E-01 I X 36.0000 2.085E-01 I X 37.0000 1.921E-01 I X 38.0000 1.752E-01 I X 39.0000 1.583E-01 I X 40.0000 1.417E-01 I X 41.0000 1.259E-01 I X 42.0000 1.110E-01 I X 43.0000 9.725E-02 I X 44.0000 8.465E-02 I X 45.0000 7.325E-02 I X 46.0000 6.304E-02 I X 47.0000 5.398E-02 I X 48.0000 4.600E-02 I X 49.0000 3.902E-02 I X 50.0000 3.296E-02 I X 52.0000 2.324E-02 I X 54.0000 1.615E-02 I X 56.0000 1.108E-02 I X 58.0000 7.508E-03 I X 60.0000 5.034E-03 IX 62.0000 3.342E-03 IX 0.0 0.0 0.0 0.0 d d7 4s10s d7 4s 10s 220011.5 193011.5 FIXEDHF 27000.0 39 28.01 CONFIG=d7 4s10s d7 4s L=0 ELIM= 229263.300 N=10 E= 220011.500 E= -0.08430861 Z=2.0000 L=0.0000 STEP=-.0500 NUM= 14700 NSAVE=14700 IRREG=0 IFITER=99 NNODES= 9 NUMR 14161 NUMS 14161 NUML 14699 RS 27.013 RL 0.125 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 RMAX -1.00000000 RMIN 1.54500000 RSCALE 1.59135000 RMAX -1.00000000 RMIN 1.59135000 RSCALE 1.63909050 RMAX -1.00000000 RMIN 1.63909050 RSCALE 1.68826322 RMAX -1.00000000 RMIN 1.68826322 RSCALE 1.73891111 RMAX -1.00000000 RMIN 1.73891111 RSCALE 1.79107844 RMAX -1.00000000 RMIN 1.79107844 RSCALE 1.84481080 RMAX -1.00000000 RMIN 1.84481080 RSCALE 1.90015512 DEL -10.88640217 RSCALE 1.90015512 DEL -7.56706564 RSCALE 1.91878070 DEL -5.67775290 RSCALE 1.93758884 DEL -4.45458429 RSCALE 1.95658135 DEL -3.59547837 RSCALE 1.97576002 DEL -2.95699176 RSCALE 1.99512669 DEL -2.46226308 RSCALE 2.01468318 DEL -2.06639357 RSCALE 2.03443138 DEL -1.74139322 RSCALE 2.05437315 DEL -1.46890238 RSCALE 2.07451039 DEL -1.23637464 RSCALE 2.09484502 DEL -1.03494163 RSCALE 2.11537897 DEL -0.85815428 RSCALE 2.13611420 DEL -0.70120765 RSCALE 2.15705268 DEL -0.56044556 RSCALE 2.17819639 DEL -0.43303380 RSCALE 2.19954737 DEL -0.31673864 RSCALE 2.22110763 DEL -0.20977295 RSCALE 2.24287922 DEL -0.11068705 RSCALE 2.26486422 DEL -0.01828962 RSCALE 2.28706473 DEL -0.00080561 RSCALE 2.29145921 DEL -0.00000600 RSCALE 2.29166169 DEL 0.00000000 RSCALE 2.29166321 CNORM= 9.99078E-01 0.0500 8.046E-03 I X 0.1000 -1.287E-02 X I 0.1500 -2.154E-02 X I 0.2000 -1.538E-02 X I 0.2500 -1.449E-03 X 0.3000 1.326E-02 I X 0.3500 2.432E-02 I X 0.4000 2.982E-02 I X 0.4500 2.965E-02 I X 0.5000 2.471E-02 I X 0.5500 1.638E-02 I X 0.6000 6.087E-03 IX 0.6500 -4.852E-03 XI 0.7000 -1.538E-02 X I 0.7500 -2.469E-02 X I 0.8000 -3.228E-02 X I 0.8500 -3.783E-02 X I 0.9000 -4.124E-02 X I 0.9500 -4.254E-02 X I 1.0000 -4.186E-02 X I 1.1000 -3.544E-02 X I 1.2000 -2.399E-02 X I 1.3000 -9.637E-03 X I 1.4000 5.736E-03 IX 1.5000 2.064E-02 I X 1.6000 3.398E-02 I X 1.7000 4.506E-02 I X 1.8000 5.347E-02 I X 1.9000 5.908E-02 I X 2.0000 6.192E-02 I X 2.1000 6.216E-02 I X 2.2000 6.003E-02 I X 2.3000 5.583E-02 I X 2.4000 4.989E-02 I X 2.5000 4.251E-02 I X 2.6000 3.402E-02 I X 2.7000 2.471E-02 I X 2.8000 1.484E-02 I X 2.9000 4.666E-03 IX 3.0000 -5.601E-03 XI 3.1000 -1.577E-02 X I 3.2000 -2.568E-02 X I 3.3000 -3.518E-02 X I 3.4000 -4.417E-02 X I 3.5000 -5.254E-02 X I 3.6000 -6.022E-02 X I 3.7000 -6.715E-02 X I 3.8000 -7.328E-02 X I 3.9000 -7.859E-02 X I 4.0000 -8.304E-02 X I 4.1000 -8.664E-02 X I 4.2000 -8.938E-02 X I 4.3000 -9.126E-02 X I 4.4000 -9.232E-02 X I 4.5000 -9.255E-02 X I 4.6000 -9.200E-02 X I 4.7000 -9.069E-02 X I 4.8000 -8.865E-02 X I 4.9000 -8.593E-02 X I 5.0000 -8.256E-02 X I 5.2000 -7.406E-02 X I 5.4000 -6.350E-02 X I 5.6000 -5.126E-02 X I 5.8000 -3.772E-02 X I 6.0000 -2.327E-02 X I 6.2000 -8.276E-03 X I 6.4000 6.906E-03 I X 6.6000 2.194E-02 I X 6.8000 3.652E-02 I X 7.0000 5.037E-02 I X 7.2000 6.323E-02 I X 7.4000 7.491E-02 I X 7.6000 8.523E-02 I X 7.8000 9.404E-02 I X 8.0000 1.012E-01 I X 8.2000 1.068E-01 I X 8.4000 1.106E-01 I X 8.6000 1.126E-01 I X 8.8000 1.130E-01 I X 9.0000 1.117E-01 I X 9.2000 1.087E-01 I X 9.4000 1.043E-01 I X 9.6000 9.843E-02 I X 9.8000 9.126E-02 I X 10.0000 8.290E-02 I X 10.2500 7.100E-02 I X 10.5000 5.774E-02 I X 10.7500 4.341E-02 I X 11.0000 2.830E-02 I X 11.2500 1.270E-02 I X 11.5000 -3.123E-03 XI 11.7500 -1.889E-02 X I 12.0000 -3.436E-02 X I 12.2500 -4.930E-02 X I 12.5000 -6.349E-02 X I 12.7500 -7.675E-02 X I 13.0000 -8.891E-02 X I 13.2500 -9.983E-02 X I 13.5000 -1.094E-01 X I 13.7500 -1.175E-01 X I 14.0000 -1.241E-01 X I 14.2500 -1.292E-01 X I 14.5000 -1.326E-01 X I 14.7500 -1.345E-01 X I 15.0000 -1.348E-01 X I 15.5000 -1.308E-01 X I 16.0000 -1.212E-01 X I 16.5000 -1.066E-01 X I 17.0000 -8.777E-02 X I 17.5000 -6.563E-02 X I 18.0000 -4.112E-02 X I 18.5000 -1.520E-02 X I 19.0000 1.124E-02 I X 19.5000 3.733E-02 I X 20.0000 6.229E-02 I X 20.5000 8.547E-02 I X 21.0000 1.063E-01 I X 21.5000 1.243E-01 I X 22.0000 1.391E-01 I X 22.5000 1.506E-01 I X 23.0000 1.586E-01 I X 23.5000 1.630E-01 I X 24.0000 1.639E-01 I X 24.5000 1.614E-01 I X 25.0000 1.558E-01 I X 25.5000 1.472E-01 I X 26.0000 1.360E-01 I X 26.5000 1.224E-01 I X 27.0000 1.067E-01 I X 27.5000 8.938E-02 I X 28.0000 7.067E-02 I X 28.5000 5.091E-02 I X 29.0000 3.045E-02 I X 29.5000 9.570E-03 I X 30.0000 -1.143E-02 X I 31.0000 -5.278E-02 X I 32.0000 -9.181E-02 X I 33.0000 -1.271E-01 X I 34.0000 -1.578E-01 X I 35.0000 -1.832E-01 X I 36.0000 -2.032E-01 X I 37.0000 -2.177E-01 X I 38.0000 -2.271E-01 X I 39.0000 -2.317E-01 X I 40.0000 -2.321E-01 X I 41.0000 -2.289E-01 X I 42.0000 -2.226E-01 X I 43.0000 -2.139E-01 X I 44.0000 -2.033E-01 X I 45.0000 -1.913E-01 X I 46.0000 -1.785E-01 X I 47.0000 -1.652E-01 X I 48.0000 -1.518E-01 X I 49.0000 -1.385E-01 X I 50.0000 -1.256E-01 X I 52.0000 -1.015E-01 X I 54.0000 -8.036E-02 X I 56.0000 -6.247E-02 X I 58.0000 -4.779E-02 X I 60.0000 -3.602E-02 X I 62.0000 -2.680E-02 X I 64.0000 -1.970E-02 X I 66.0000 -1.433E-02 X I 68.0000 -1.031E-02 X I 70.0000 -7.355E-03 X I 72.0000 -5.200E-03 XI 74.0000 -3.648E-03 XI 76.0000 -2.540E-03 XI 0.0 0.0 0.0 0.0 e d7 4s11s d7 4s 11s 221563.1 194563.1 FIXEDHF 27000.0 40 28.01 CONFIG=d7 4s11s d7 4s L=0 ELIM= 229263.300 N=11 E= 221563.100 E= -0.07016939 Z=2.0000 L=0.0000 STEP=-.0500 NUM= 16300 NSAVE=16300 IRREG=0 IFITER=99 NNODES=10 NUMR 15761 NUMS 15761 NUML 16299 RS 27.013 RL 0.125 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 RMAX -1.00000000 RMIN 1.54500000 RSCALE 1.59135000 RMAX -1.00000000 RMIN 1.59135000 RSCALE 1.63909050 RMAX -1.00000000 RMIN 1.63909050 RSCALE 1.68826322 RMAX -1.00000000 RMIN 1.68826322 RSCALE 1.73891111 RMAX -1.00000000 RMIN 1.73891111 RSCALE 1.79107844 RMAX -1.00000000 RMIN 1.79107844 RSCALE 1.84481080 RMAX -1.00000000 RMIN 1.84481080 RSCALE 1.90015512 RMAX -1.00000000 RMIN 1.90015512 RSCALE 1.95715978 RMAX -1.00000000 RMIN 1.95715978 RSCALE 2.01587457 RMAX -1.00000000 RMIN 2.01587457 RSCALE 2.07635081 RMAX -1.00000000 RMIN 2.07635081 RSCALE 2.13864133 RMAX -1.00000000 RMIN 2.13864133 RSCALE 2.20280057 RMAX -1.00000000 RMIN 2.20280057 RSCALE 2.26888459 RMAX -1.00000000 RMIN 2.26888459 RSCALE 2.33695112 DEL -143.21293886 RSCALE 2.33695112 DEL -20.60548893 RSCALE 2.35985823 DEL -17.91680213 RSCALE 2.36370802 DEL -9.83143333 RSCALE 2.38687740 DEL -6.57119605 RSCALE 2.41027389 DEL -4.80313780 RSCALE 2.43389972 DEL -3.68939660 RSCALE 2.45775713 DEL -2.92045034 RSCALE 2.48184840 DEL -2.35536743 RSCALE 2.50617581 DEL -1.92077180 RSCALE 2.53074168 DEL -1.57468979 RSCALE 2.55554835 DEL -1.29136876 RSCALE 2.58059817 DEL -1.05412658 RSCALE 2.60589354 DEL -0.85167636 RSCALE 2.63143686 DEL -0.67610367 RSCALE 2.65723056 DEL -0.52169020 RSCALE 2.68327709 DEL -0.38419680 RSCALE 2.70957893 DEL -0.26040991 RSCALE 2.73613858 DEL -0.14784475 RSCALE 2.76295858 DEL -0.04454505 RSCALE 2.79004147 DEL -0.00274372 RSCALE 2.80172020 DEL -0.00005265 RSCALE 2.80248675 DEL -0.00000006 RSCALE 2.80250175 DEL 0.00000000 RSCALE 2.80250177 CNORM= 9.98936E-01 0.0500 6.833E-03 I X 0.1000 -1.138E-02 X I 0.1500 -1.839E-02 X I 0.2000 -1.220E-02 X I 0.2500 4.979E-04 X 0.3000 1.323E-02 I X 0.3500 2.203E-02 I X 0.4000 2.537E-02 I X 0.4500 2.343E-02 I X 0.5000 1.734E-02 I X 0.5500 8.590E-03 I X 0.6000 -1.313E-03 X 0.6500 -1.109E-02 X I 0.7000 -1.976E-02 X I 0.7500 -2.665E-02 X I 0.8000 -3.140E-02 X I 0.8500 -3.387E-02 X I 0.9000 -3.411E-02 X I 0.9500 -3.232E-02 X I 1.0000 -2.877E-02 X I 1.1000 -1.770E-02 X I 1.2000 -3.631E-03 XI 1.3000 1.101E-02 I X 1.4000 2.434E-02 I X 1.5000 3.511E-02 I X 1.6000 4.261E-02 I X 1.7000 4.660E-02 I X 1.8000 4.720E-02 I X 1.9000 4.472E-02 I X 2.0000 3.963E-02 I X 2.1000 3.244E-02 I X 2.2000 2.372E-02 I X 2.3000 1.396E-02 I X 2.4000 3.648E-03 IX 2.5000 -6.798E-03 X I 2.6000 -1.703E-02 X I 2.7000 -2.674E-02 X I 2.8000 -3.572E-02 X I 2.9000 -4.377E-02 X I 3.0000 -5.078E-02 X I 3.1000 -5.666E-02 X I 3.2000 -6.136E-02 X I 3.3000 -6.487E-02 X I 3.4000 -6.720E-02 X I 3.5000 -6.838E-02 X I 3.6000 -6.845E-02 X I 3.7000 -6.749E-02 X I 3.8000 -6.556E-02 X I 3.9000 -6.273E-02 X I 4.0000 -5.910E-02 X I 4.1000 -5.474E-02 X I 4.2000 -4.973E-02 X I 4.3000 -4.417E-02 X I 4.4000 -3.814E-02 X I 4.5000 -3.172E-02 X I 4.6000 -2.499E-02 X I 4.7000 -1.802E-02 X I 4.8000 -1.089E-02 X I 4.9000 -3.666E-03 XI 5.0000 3.592E-03 IX 5.2000 1.796E-02 I X 5.4000 3.180E-02 I X 5.6000 4.472E-02 I X 5.8000 5.644E-02 I X 6.0000 6.671E-02 I X 6.2000 7.534E-02 I X 6.4000 8.222E-02 I X 6.6000 8.725E-02 I X 6.8000 9.040E-02 I X 7.0000 9.167E-02 I X 7.2000 9.111E-02 I X 7.4000 8.877E-02 I X 7.6000 8.477E-02 I X 7.8000 7.922E-02 I X 8.0000 7.227E-02 I X 8.2000 6.408E-02 I X 8.4000 5.482E-02 I X 8.6000 4.467E-02 I X 8.8000 3.382E-02 I X 9.0000 2.244E-02 I X 9.2000 1.073E-02 I X 9.4000 -1.141E-03 X 9.6000 -1.299E-02 X I 9.8000 -2.467E-02 X I 10.0000 -3.601E-02 X I 10.2500 -4.951E-02 X I 10.5000 -6.202E-02 X I 10.7500 -7.332E-02 X I 11.0000 -8.325E-02 X I 11.2500 -9.165E-02 X I 11.5000 -9.842E-02 X I 11.7500 -1.035E-01 X I 12.0000 -1.068E-01 X I 12.2500 -1.084E-01 X I 12.5000 -1.082E-01 X I 12.7500 -1.063E-01 X I 13.0000 -1.029E-01 X I 13.2500 -9.787E-02 X I 13.5000 -9.146E-02 X I 13.7500 -8.375E-02 X I 14.0000 -7.489E-02 X I 14.2500 -6.502E-02 X I 14.5000 -5.429E-02 X I 14.7500 -4.287E-02 X I 15.0000 -3.091E-02 X I 15.5000 -6.005E-03 X I 16.0000 1.919E-02 I X 16.5000 4.353E-02 I X 17.0000 6.602E-02 I X 17.5000 8.579E-02 I X 18.0000 1.022E-01 I X 18.5000 1.147E-01 I X 19.0000 1.230E-01 I X 19.5000 1.271E-01 I X 20.0000 1.269E-01 I X 20.5000 1.225E-01 I X 21.0000 1.144E-01 I X 21.5000 1.028E-01 I X 22.0000 8.820E-02 I X 22.5000 7.118E-02 I X 23.0000 5.224E-02 I X 23.5000 3.195E-02 I X 24.0000 1.085E-02 I X 24.5000 -1.051E-02 X I 25.0000 -3.163E-02 X I 25.5000 -5.204E-02 X I 26.0000 -7.132E-02 X I 26.5000 -8.912E-02 X I 27.0000 -1.051E-01 X I 27.5000 -1.191E-01 X I 28.0000 -1.308E-01 X I 28.5000 -1.402E-01 X I 29.0000 -1.471E-01 X I 29.5000 -1.515E-01 X I 30.0000 -1.534E-01 X I 31.0000 -1.501E-01 X I 32.0000 -1.380E-01 X I 33.0000 -1.184E-01 X I 34.0000 -9.269E-02 X I 35.0000 -6.261E-02 X I 36.0000 -2.976E-02 X I 37.0000 4.318E-03 IX 38.0000 3.825E-02 I X 39.0000 7.086E-02 I X 40.0000 1.012E-01 I X 41.0000 1.285E-01 I X 42.0000 1.524E-01 I X 43.0000 1.724E-01 I X 44.0000 1.885E-01 I X 45.0000 2.007E-01 I X 46.0000 2.091E-01 I X 47.0000 2.141E-01 I X 48.0000 2.158E-01 I X 49.0000 2.147E-01 I X 50.0000 2.112E-01 I X 52.0000 1.982E-01 I X 54.0000 1.799E-01 I X 56.0000 1.587E-01 I X 58.0000 1.367E-01 I X 60.0000 1.152E-01 I X 62.0000 9.538E-02 I X 64.0000 7.767E-02 I X 66.0000 6.232E-02 I X 68.0000 4.934E-02 I X 70.0000 3.859E-02 I X 72.0000 2.985E-02 I X 74.0000 2.286E-02 I X 76.0000 1.734E-02 I X 78.0000 1.304E-02 I X 80.0000 9.726E-03 I X 82.0000 7.200E-03 I X 84.0000 5.292E-03 IX 86.0000 3.865E-03 IX 88.0000 2.805E-03 IX 0.0 0.0 0.0 0.0 f d7 4s12s d7 4s 12s 222661.7 195661.7 FIXEDHF 27000.0 41 28.01 CONFIG=d7 4s12s d7 4s L=0 ELIM= 229263.300 N=12 E= 222661.700 E= -0.06015821 Z=2.0000 L=0.0000 STEP=-.0500 NUM= 17800 NSAVE=17800 IRREG=0 IFITER=99 NNODES=11 NUMR 17261 NUMS 17261 NUML 17799 RS 27.013 RL 0.125 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 RMAX -1.00000000 RMIN 1.54500000 RSCALE 1.59135000 RMAX -1.00000000 RMIN 1.59135000 RSCALE 1.63909050 RMAX -1.00000000 RMIN 1.63909050 RSCALE 1.68826322 RMAX -1.00000000 RMIN 1.68826322 RSCALE 1.73891111 RMAX -1.00000000 RMIN 1.73891111 RSCALE 1.79107844 RMAX -1.00000000 RMIN 1.79107844 RSCALE 1.84481080 RMAX -1.00000000 RMIN 1.84481080 RSCALE 1.90015512 RMAX -1.00000000 RMIN 1.90015512 RSCALE 1.95715978 RMAX -1.00000000 RMIN 1.95715978 RSCALE 2.01587457 RMAX -1.00000000 RMIN 2.01587457 RSCALE 2.07635081 RMAX -1.00000000 RMIN 2.07635081 RSCALE 2.13864133 RMAX -1.00000000 RMIN 2.13864133 RSCALE 2.20280057 RMAX -1.00000000 RMIN 2.20280057 RSCALE 2.26888459 RMAX -1.00000000 RMIN 2.26888459 RSCALE 2.33695112 RMAX -1.00000000 RMIN 2.33695112 RSCALE 2.40705966 RMAX -1.00000000 RMIN 2.40705966 RSCALE 2.47927145 RMAX -1.00000000 RMIN 2.47927145 RSCALE 2.55364959 RMAX -1.00000000 RMIN 2.55364959 RSCALE 2.63025908 RMAX -1.00000000 RMIN 2.63025908 RSCALE 2.70916685 RMAX -1.00000000 RMIN 2.70916685 RSCALE 2.79044186 RMAX -1.00000000 RMIN 2.79044186 RSCALE 2.87415511 RMAX -1.00000000 RMIN 2.87415511 RSCALE 2.96037977 RMAX -1.00000000 RMIN 2.96037977 RSCALE 3.04919116 DEL -6.42943365 RSCALE 3.04919116 DEL -4.46951580 RSCALE 3.07907974 DEL -3.31107277 RSCALE 3.10926129 DEL -2.54209993 RSCALE 3.13973869 DEL -1.99160820 RSCALE 3.17051483 DEL -1.57586056 RSCALE 3.20159264 DEL -1.24900503 RSCALE 3.23297508 DEL -0.98381742 RSCALE 3.26466513 DEL -0.76310563 RSCALE 3.29666582 DEL -0.57547066 RSCALE 3.32898018 DEL -0.41304869 RSCALE 3.36161129 DEL -0.27023183 RSCALE 3.39456225 DEL -0.14290601 RSCALE 3.42783621 DEL -0.02797722 RSCALE 3.46143632 DEL -0.00175229 RSCALE 3.46961562 DEL -0.00002228 RSCALE 3.47016215 DEL -0.00000002 RSCALE 3.47016919 DEL 0.00000000 RSCALE 3.47016919 CNORM= 9.98845E-01 0.0500 5.999E-03 I X 0.1000 -1.035E-02 X I 0.1500 -1.620E-02 X I 0.2000 -9.987E-03 X I 0.2500 1.830E-03 X 0.3000 1.311E-02 I X 0.3500 2.021E-02 I X 0.4000 2.191E-02 I X 0.4500 1.867E-02 I X 0.5000 1.181E-02 I X 0.5500 2.959E-03 IX 0.6000 -6.357E-03 X I 0.6500 -1.488E-02 X I 0.7000 -2.173E-02 X I 0.7500 -2.637E-02 X I 0.8000 -2.860E-02 X I 0.8500 -2.846E-02 X I 0.9000 -2.617E-02 X I 0.9500 -2.208E-02 X I 1.0000 -1.659E-02 X I 1.1000 -3.144E-03 XI 1.2000 1.099E-02 I X 1.3000 2.333E-02 I X 1.4000 3.230E-02 I X 1.5000 3.714E-02 I X 1.6000 3.779E-02 I X 1.7000 3.464E-02 I X 1.8000 2.839E-02 I X 1.9000 1.984E-02 I X 2.0000 9.854E-03 I X 2.1000 -7.906E-04 X 2.2000 -1.140E-02 X I 2.3000 -2.140E-02 X I 2.4000 -3.035E-02 X I 2.5000 -3.793E-02 X I 2.6000 -4.394E-02 X I 2.7000 -4.827E-02 X I 2.8000 -5.089E-02 X I 2.9000 -5.184E-02 X I 3.0000 -5.121E-02 X I 3.1000 -4.913E-02 X I 3.2000 -4.575E-02 X I 3.3000 -4.124E-02 X I 3.4000 -3.577E-02 X I 3.5000 -2.952E-02 X I 3.6000 -2.267E-02 X I 3.7000 -1.538E-02 X I 3.8000 -7.813E-03 X I 3.9000 -1.100E-04 X 4.0000 7.596E-03 I X 4.1000 1.519E-02 I X 4.2000 2.256E-02 I X 4.3000 2.962E-02 I X 4.4000 3.628E-02 I X 4.5000 4.250E-02 I X 4.6000 4.820E-02 I X 4.7000 5.335E-02 I X 4.8000 5.792E-02 I X 4.9000 6.187E-02 I X 5.0000 6.520E-02 I X 5.2000 6.997E-02 I X 5.4000 7.223E-02 I X 5.6000 7.207E-02 I X 5.8000 6.967E-02 I X 6.0000 6.523E-02 I X 6.2000 5.899E-02 I X 6.4000 5.121E-02 I X 6.6000 4.217E-02 I X 6.8000 3.214E-02 I X 7.0000 2.138E-02 I X 7.2000 1.016E-02 I X 7.4000 -1.261E-03 X 7.6000 -1.266E-02 X I 7.8000 -2.383E-02 X I 8.0000 -3.455E-02 X I 8.2000 -4.467E-02 X I 8.4000 -5.401E-02 X I 8.6000 -6.246E-02 X I 8.8000 -6.989E-02 X I 9.0000 -7.622E-02 X I 9.2000 -8.138E-02 X I 9.4000 -8.532E-02 X I 9.6000 -8.802E-02 X I 9.8000 -8.946E-02 X I 10.0000 -8.966E-02 X I 10.2500 -8.820E-02 X I 10.5000 -8.493E-02 X I 10.7500 -7.995E-02 X I 11.0000 -7.342E-02 X I 11.2500 -6.549E-02 X I 11.5000 -5.636E-02 X I 11.7500 -4.622E-02 X I 12.0000 -3.526E-02 X I 12.2500 -2.371E-02 X I 12.5000 -1.176E-02 X I 12.7500 3.870E-04 X 13.0000 1.252E-02 I X 13.2500 2.447E-02 I X 13.5000 3.604E-02 I X 13.7500 4.709E-02 I X 14.0000 5.746E-02 I X 14.2500 6.702E-02 I X 14.5000 7.565E-02 I X 14.7500 8.327E-02 I X 15.0000 8.979E-02 I X 15.5000 9.932E-02 I X 16.0000 1.040E-01 I X 16.5000 1.037E-01 I X 17.0000 9.869E-02 I X 17.5000 8.939E-02 I X 18.0000 7.634E-02 I X 18.5000 6.020E-02 I X 19.0000 4.172E-02 I X 19.5000 2.167E-02 I X 20.0000 8.311E-04 X 20.5000 -2.004E-02 X I 21.0000 -4.024E-02 X I 21.5000 -5.914E-02 X I 22.0000 -7.618E-02 X I 22.5000 -9.092E-02 X I 23.0000 -1.030E-01 X I 23.5000 -1.121E-01 X I 24.0000 -1.182E-01 X I 24.5000 -1.211E-01 X I 25.0000 -1.210E-01 X I 25.5000 -1.178E-01 X I 26.0000 -1.117E-01 X I 26.5000 -1.031E-01 X I 27.0000 -9.208E-02 X I 27.5000 -7.907E-02 X I 28.0000 -6.437E-02 X I 28.5000 -4.834E-02 X I 29.0000 -3.135E-02 X I 29.5000 -1.374E-02 X I 30.0000 4.128E-03 IX 31.0000 3.933E-02 I X 32.0000 7.186E-02 I X 33.0000 9.977E-02 I X 34.0000 1.216E-01 I X 35.0000 1.366E-01 I X 36.0000 1.441E-01 I X 37.0000 1.444E-01 I X 38.0000 1.377E-01 I X 39.0000 1.249E-01 I X 40.0000 1.067E-01 I X 41.0000 8.437E-02 I X 42.0000 5.884E-02 I X 43.0000 3.124E-02 I X 44.0000 2.600E-03 IX 45.0000 -2.612E-02 X I 46.0000 -5.411E-02 X I 47.0000 -8.065E-02 X I 48.0000 -1.052E-01 X I 49.0000 -1.273E-01 X I 50.0000 -1.467E-01 X I 52.0000 -1.767E-01 X I 54.0000 -1.950E-01 X I 56.0000 -2.024E-01 X I 58.0000 -2.008E-01 X I 60.0000 -1.921E-01 X I 62.0000 -1.784E-01 X I 64.0000 -1.615E-01 X I 66.0000 -1.431E-01 X I 68.0000 -1.244E-01 X I 70.0000 -1.064E-01 X I 72.0000 -8.961E-02 X I 74.0000 -7.446E-02 X I 76.0000 -6.111E-02 X I 78.0000 -4.960E-02 X I 80.0000 -3.984E-02 X I 82.0000 -3.170E-02 X I 84.0000 -2.501E-02 X I 86.0000 -1.956E-02 X I 88.0000 -1.519E-02 X I 90.0000 -1.171E-02 X I 92.0000 -8.963E-03 X I 94.0000 -6.820E-03 X I 96.0000 -5.158E-03 XI 98.0000 -3.880E-03 XI 100.0000 -2.903E-03 XI 102.0000 -2.161E-03 XI 0.0 0.0 0.0 0.0 g d6s2 5s d6s2 5s 283498.8 246498.8 FIXEDHF 37000.0 42 28.01 CONFIG=d6s2 5s d6s2 L=0 ELIM= 344113.400 N= 5 E= 283498.800 E= -0.55236091 Z=2.0000 L=0.0000 STEP=-.0500 NUM= 5300 NSAVE= 5300 IRREG=0 IFITER=99 NNODES= 4 NUMR 4761 NUMS 4761 NUML 5299 RS 27.013 RL 0.125 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 DEL 0.93391843 RSCALE 1.45631068 DEL 0.87999271 RSCALE 1.44217429 DEL 0.82613118 RSCALE 1.42817513 DEL 0.77217648 RSCALE 1.41431186 DEL 0.71797418 RSCALE 1.40058315 DEL 0.66337095 RSCALE 1.38698771 DEL 0.60821297 RSCALE 1.37352424 DEL 0.55234422 RSCALE 1.36019146 DEL 0.49560454 RSCALE 1.34698811 DEL 0.43782786 RSCALE 1.33391291 DEL 0.37884089 RSCALE 1.32096464 DEL 0.31846052 RSCALE 1.30814206 DEL 0.25649135 RSCALE 1.29544394 DEL 0.19272449 RSCALE 1.28286909 DEL 0.12693364 RSCALE 1.27041630 DEL 0.05887247 RSCALE 1.25808439 DEL -0.00260703 RSCALE 1.24741736 DEL 0.00005266 RSCALE 1.24786970 DEL 0.00000005 RSCALE 1.24786074 DEL 0.00000000 RSCALE 1.24786073 CNORM= 9.86301E-01 0.0500 3.668E-02 I X 0.1000 -4.878E-02 X I 0.1500 -9.433E-02 X I 0.2000 -8.543E-02 X I 0.2500 -4.219E-02 X I 0.3000 1.378E-02 I X 0.3500 6.734E-02 I X 0.4000 1.100E-01 I X 0.4500 1.382E-01 I X 0.5000 1.514E-01 I X 0.5500 1.511E-01 I X 0.6000 1.394E-01 I X 0.6500 1.188E-01 I X 0.7000 9.163E-02 I X 0.7500 6.015E-02 I X 0.8000 2.617E-02 I X 0.8500 -8.770E-03 XI 0.9000 -4.346E-02 X I 0.9500 -7.695E-02 X I 1.0000 -1.085E-01 X I 1.1000 -1.642E-01 X I 1.2000 -2.082E-01 X I 1.3000 -2.399E-01 X I 1.4000 -2.600E-01 X I 1.5000 -2.692E-01 X I 1.6000 -2.690E-01 X I 1.7000 -2.606E-01 X I 1.8000 -2.453E-01 X I 1.9000 -2.244E-01 X I 2.0000 -1.989E-01 X I 2.1000 -1.697E-01 X I 2.2000 -1.378E-01 X I 2.3000 -1.039E-01 X I 2.4000 -6.853E-02 X I 2.5000 -3.234E-02 X I 2.6000 4.209E-03 X 2.7000 4.072E-02 I X 2.8000 7.685E-02 I X 2.9000 1.123E-01 I X 3.0000 1.468E-01 I X 3.1000 1.801E-01 I X 3.2000 2.122E-01 I X 3.3000 2.427E-01 I X 3.4000 2.716E-01 I X 3.5000 2.989E-01 I X 3.6000 3.244E-01 I X 3.7000 3.480E-01 I X 3.8000 3.699E-01 I X 3.9000 3.899E-01 I X 4.0000 4.080E-01 I X 4.1000 4.243E-01 I X 4.2000 4.388E-01 I X 4.3000 4.516E-01 I X 4.4000 4.627E-01 I X 4.5000 4.721E-01 I X 4.6000 4.799E-01 I X 4.7000 4.862E-01 I X 4.8000 4.911E-01 I X 4.9000 4.945E-01 I X 5.0000 4.967E-01 I X 5.2000 4.974E-01 I X 5.4000 4.938E-01 I X 5.6000 4.865E-01 I X 5.8000 4.760E-01 I X 6.0000 4.629E-01 I X 6.2000 4.477E-01 I X 6.4000 4.308E-01 I X 6.6000 4.127E-01 I X 6.8000 3.936E-01 I X 7.0000 3.740E-01 I X 7.2000 3.541E-01 I X 7.4000 3.342E-01 I X 7.6000 3.144E-01 I X 7.8000 2.950E-01 I X 8.0000 2.760E-01 I X 8.2000 2.576E-01 I X 8.4000 2.398E-01 I X 8.6000 2.228E-01 I X 8.8000 2.066E-01 I X 9.0000 1.911E-01 I X 9.2000 1.765E-01 I X 9.4000 1.627E-01 I X 9.6000 1.498E-01 I X 9.8000 1.376E-01 I X 10.0000 1.263E-01 I X 10.2500 1.132E-01 I X 10.5000 1.012E-01 I X 10.7500 9.030E-02 I X 11.0000 8.044E-02 I X 11.2500 7.152E-02 I X 11.5000 6.348E-02 I X 11.7500 5.625E-02 I X 12.0000 4.977E-02 I X 12.2500 4.397E-02 I X 12.5000 3.880E-02 I X 12.7500 3.418E-02 I X 13.0000 3.008E-02 I X 13.2500 2.643E-02 I X 13.5000 2.320E-02 I X 13.7500 2.035E-02 I X 14.0000 1.782E-02 I X 14.2500 1.559E-02 I X 14.5000 1.363E-02 I X 14.7500 1.190E-02 IX 15.0000 1.038E-02 IX 15.5000 7.881E-03 IX 16.0000 5.963E-03 IX 0.0 0.0 0.0 0.0 h d8 5g d8 5g 140119.8 123275.1 17000.0 43 28.01 CONFIG=d8 5g d8 L=4 ELIM= 161648.800 N= 5 E= 140119.800 E= -0.19618669 Z=2.0000 L=4.0000 STEP=-.0500 NUM= 9100 NSAVE= 9100 IRREG=0 IFITER=99 NNODES= 0 NUMR 8831 NUMS 8831 NUML 9051 RS 13.506 RL 2.500 P0 0.00000000 RSCALE 3.88349515 R 2.70000000 RMAX 3.88349515 RMIN -1.00000000 RSCALE 3.77038364 RMAX 3.77038364 RMIN -1.00000000 RSCALE 3.66056664 RMAX 3.66056664 RMIN -1.00000000 RSCALE 3.55394819 RMAX 3.55394819 RMIN -1.00000000 RSCALE 3.45043514 RMAX 3.45043514 RMIN -1.00000000 RSCALE 3.34993703 RMAX 3.34993703 RMIN -1.00000000 RSCALE 3.25236605 RMAX 3.25236605 RMIN -1.00000000 RSCALE 3.15763694 RMAX 3.15763694 RMIN -1.00000000 RSCALE 3.06566693 DEL -11.32804018 RSCALE 3.06566693 RMAX 3.09571701 RMIN -1.00000000 RSCALE 3.08069197 DEL -89.72073501 RSCALE 3.08069197 DEL -9.68447218 RSCALE 3.06349575 DEL -8.41270690 RSCALE 3.06141499 DEL -3.73214954 RSCALE 3.04765080 DEL -1.99059328 RSCALE 3.03667561 DEL -0.80569053 RSCALE 3.02413099 DEL -0.25883315 RSCALE 3.01560111 DEL -0.04744854 RSCALE 3.01156384 DEL -0.00340947 RSCALE 3.01065761 DEL -0.00004852 RSCALE 3.01058745 DEL -0.00000005 RSCALE 3.01058643 DEL 0.00000000 RSCALE 3.01058643 CNORM= 2.42254E+00 0.0500 3.848E-06 X 0.1000 9.473E-05 X 0.1500 5.587E-04 X 0.2000 1.844E-03 X 0.2500 4.439E-03 IX 0.3000 8.776E-03 IX 0.3500 1.517E-02 I X 0.4000 2.378E-02 I X 0.4500 3.466E-02 I X 0.5000 4.772E-02 I X 0.5500 6.279E-02 I X 0.6000 7.962E-02 I X 0.6500 9.795E-02 I X 0.7000 1.175E-01 I X 0.7500 1.378E-01 I X 0.8000 1.588E-01 I X 0.8500 1.801E-01 I X 0.9000 2.014E-01 I X 0.9500 2.225E-01 I X 1.0000 2.432E-01 I X 1.1000 2.829E-01 I X 1.2000 3.193E-01 I X 1.3000 3.518E-01 I X 1.4000 3.802E-01 I X 1.5000 4.042E-01 I X 1.6000 4.241E-01 I X 1.7000 4.400E-01 I X 1.8000 4.523E-01 I X 1.9000 4.613E-01 I X 2.0000 4.673E-01 I X 2.1000 4.708E-01 I X 2.2000 4.720E-01 I X 2.3000 4.712E-01 I X 2.4000 4.689E-01 I X 2.5000 4.652E-01 I X 2.6000 4.603E-01 I X 2.7000 4.546E-01 I X 2.8000 4.481E-01 I X 2.9000 4.411E-01 I X 3.0000 4.337E-01 I X 3.1000 4.260E-01 I X 3.2000 4.181E-01 I X 3.3000 4.101E-01 I X 3.4000 4.020E-01 I X 3.5000 3.940E-01 I X 3.6000 3.860E-01 I X 3.7000 3.782E-01 I X 3.8000 3.705E-01 I X 3.9000 3.630E-01 I X 4.0000 3.557E-01 I X 4.1000 3.486E-01 I X 4.2000 3.417E-01 I X 4.3000 3.351E-01 I X 4.4000 3.287E-01 I X 4.5000 3.225E-01 I X 4.6000 3.166E-01 I X 4.7000 3.109E-01 I X 4.8000 3.054E-01 I X 4.9000 3.001E-01 I X 5.0000 2.951E-01 I X 5.2000 2.857E-01 I X 5.4000 2.771E-01 I X 5.6000 2.692E-01 I X 5.8000 2.620E-01 I X 6.0000 2.554E-01 I X 6.2000 2.493E-01 I X 6.4000 2.437E-01 I X 6.6000 2.386E-01 I X 6.8000 2.337E-01 I X 7.0000 2.292E-01 I X 7.2000 2.250E-01 I X 7.4000 2.210E-01 I X 7.6000 2.171E-01 I X 7.8000 2.134E-01 I X 8.0000 2.098E-01 I X 8.2000 2.062E-01 I X 8.4000 2.027E-01 I X 8.6000 1.992E-01 I X 8.8000 1.958E-01 I X 9.0000 1.923E-01 I X 9.2000 1.888E-01 I X 9.4000 1.853E-01 I X 9.6000 1.818E-01 I X 9.8000 1.783E-01 I X 10.0000 1.747E-01 I X 10.2500 1.702E-01 I X 10.5000 1.657E-01 I X 10.7500 1.612E-01 I X 11.0000 1.566E-01 I X 11.2500 1.519E-01 I X 11.5000 1.473E-01 I X 11.7500 1.427E-01 I X 12.0000 1.381E-01 I X 12.2500 1.335E-01 I X 12.5000 1.289E-01 I X 12.7500 1.243E-01 I X 13.0000 1.198E-01 I X 13.2500 1.154E-01 I X 13.5000 1.110E-01 I X 13.7500 1.066E-01 I X 14.0000 1.024E-01 I X 14.2500 9.819E-02 I X 14.5000 9.410E-02 I X 14.7500 9.010E-02 I X 15.0000 8.619E-02 I X 15.5000 7.868E-02 I X 16.0000 7.159E-02 I X 16.5000 6.493E-02 I X 17.0000 5.871E-02 I X 17.5000 5.294E-02 I X 18.0000 4.760E-02 I X 18.5000 4.268E-02 I X 19.0000 3.817E-02 I X 19.5000 3.406E-02 I X 20.0000 3.032E-02 I X 20.5000 2.693E-02 I X 21.0000 2.386E-02 I X 21.5000 2.110E-02 I X 22.0000 1.862E-02 I X 22.5000 1.640E-02 I X 23.0000 1.442E-02 I X 23.5000 1.265E-02 IX 24.0000 1.109E-02 IX 24.5000 9.696E-03 IX 25.0000 8.466E-03 IX 25.5000 7.381E-03 IX 26.0000 6.425E-03 IX 26.5000 5.585E-03 IX 27.0000 4.848E-03 IX 0.0 0.0 0.0 0.0 i d8 6g d8 6g 145494.5 128645.3 17000.0 44 28.01 CONFIG=d8 6g d8 L=4 ELIM= 161648.800 N= 6 E= 145494.500 E= -0.14720882 Z=2.0000 L=4.0000 STEP=-.0500 NUM= 10600 NSAVE=10600 IRREG=0 IFITER=99 NNODES= 1 NUMR 10331 NUMS 10331 NUML 10551 RS 13.506 RL 2.500 RMAX 4.00000000 RMIN -1.00000000 RSCALE 3.88349515 RMAX 3.88349515 RMIN -1.00000000 RSCALE 3.77038364 RMAX 3.77038364 RMIN -1.00000000 RSCALE 3.66056664 RMAX 3.66056664 RMIN -1.00000000 RSCALE 3.55394819 RMAX 3.55394819 RMIN -1.00000000 RSCALE 3.45043514 RMAX 3.45043514 RMIN -1.00000000 RSCALE 3.34993703 RMAX 3.34993703 RMIN -1.00000000 RSCALE 3.25236605 RMAX 3.25236605 RMIN -1.00000000 RSCALE 3.15763694 RMAX 3.15763694 RMIN -1.00000000 RSCALE 3.06566693 DEL -8.40599076 RSCALE 3.06566693 DEL -118.46417395 RSCALE 3.09571701 DEL -8.40599132 RSCALE 3.06566693 DEL -7.57792490 RSCALE 3.06337177 DEL -3.15645303 RSCALE 3.04236800 DEL -1.62374291 RSCALE 3.02737358 DEL -0.59967808 RSCALE 3.01148858 DEL -0.16671679 RSCALE 3.00218655 DEL -0.02330873 RSCALE 2.99860470 DEL -0.00105825 RSCALE 2.99802252 DEL -0.00000706 RSCALE 2.99799483 DEL 0.00000000 RSCALE 2.99799465 CNORM= 1.09271E+00 0.0500 2.406E-06 X 0.1000 5.925E-05 X 0.1500 3.494E-04 X 0.2000 1.153E-03 X 0.2500 2.778E-03 IX 0.3000 5.492E-03 IX 0.3500 9.494E-03 I X 0.4000 1.489E-02 I X 0.4500 2.171E-02 I X 0.5000 2.990E-02 I X 0.5500 3.935E-02 I X 0.6000 4.991E-02 I X 0.6500 6.142E-02 I X 0.7000 7.367E-02 I X 0.7500 8.649E-02 I X 0.8000 9.967E-02 I X 0.8500 1.131E-01 I X 0.9000 1.265E-01 I X 0.9500 1.398E-01 I X 1.0000 1.529E-01 I X 1.1000 1.779E-01 I X 1.2000 2.009E-01 I X 1.3000 2.214E-01 I X 1.4000 2.393E-01 I X 1.5000 2.545E-01 I X 1.6000 2.671E-01 I X 1.7000 2.771E-01 I X 1.8000 2.848E-01 I X 1.9000 2.903E-01 I X 2.0000 2.939E-01 I X 2.1000 2.958E-01 I X 2.2000 2.963E-01 I X 2.3000 2.954E-01 I X 2.4000 2.934E-01 I X 2.5000 2.905E-01 I X 2.6000 2.868E-01 I X 2.7000 2.825E-01 I X 2.8000 2.776E-01 I X 2.9000 2.722E-01 I X 3.0000 2.665E-01 I X 3.1000 2.605E-01 I X 3.2000 2.543E-01 I X 3.3000 2.479E-01 I X 3.4000 2.414E-01 I X 3.5000 2.348E-01 I X 3.6000 2.282E-01 I X 3.7000 2.216E-01 I X 3.8000 2.149E-01 I X 3.9000 2.083E-01 I X 4.0000 2.016E-01 I X 4.1000 1.950E-01 I X 4.2000 1.885E-01 I X 4.3000 1.820E-01 I X 4.4000 1.755E-01 I X 4.5000 1.691E-01 I X 4.6000 1.627E-01 I X 4.7000 1.564E-01 I X 4.8000 1.501E-01 I X 4.9000 1.439E-01 I X 5.0000 1.377E-01 I X 5.2000 1.254E-01 I X 5.4000 1.132E-01 I X 5.6000 1.012E-01 I X 5.8000 8.914E-02 I X 6.0000 7.715E-02 I X 6.2000 6.518E-02 I X 6.4000 5.321E-02 I X 6.6000 4.122E-02 I X 6.8000 2.923E-02 I X 7.0000 1.721E-02 I X 7.2000 5.177E-03 IX 7.4000 -6.859E-03 XI 7.6000 -1.889E-02 X I 7.8000 -3.089E-02 X I 8.0000 -4.284E-02 X I 8.2000 -5.473E-02 X I 8.4000 -6.652E-02 X I 8.6000 -7.819E-02 X I 8.8000 -8.972E-02 X I 9.0000 -1.011E-01 X I 9.2000 -1.122E-01 X I 9.4000 -1.231E-01 X I 9.6000 -1.338E-01 X I 9.8000 -1.442E-01 X I 10.0000 -1.542E-01 X I 10.2500 -1.664E-01 X I 10.5000 -1.779E-01 X I 10.7500 -1.889E-01 X I 11.0000 -1.993E-01 X I 11.2500 -2.091E-01 X I 11.5000 -2.182E-01 X I 11.7500 -2.266E-01 X I 12.0000 -2.343E-01 X I 12.2500 -2.414E-01 X I 12.5000 -2.477E-01 X I 12.7500 -2.534E-01 X I 13.0000 -2.584E-01 X I 13.2500 -2.627E-01 X I 13.5000 -2.663E-01 X I 13.7500 -2.693E-01 X I 14.0000 -2.716E-01 X I 14.2500 -2.733E-01 X I 14.5000 -2.744E-01 X I 14.7500 -2.749E-01 X I 15.0000 -2.749E-01 X I 15.5000 -2.734E-01 X I 16.0000 -2.699E-01 X I 16.5000 -2.648E-01 X I 17.0000 -2.582E-01 X I 17.5000 -2.504E-01 X I 18.0000 -2.416E-01 X I 18.5000 -2.320E-01 X I 19.0000 -2.218E-01 X I 19.5000 -2.112E-01 X I 20.0000 -2.003E-01 X I 20.5000 -1.892E-01 X I 21.0000 -1.781E-01 X I 21.5000 -1.671E-01 X I 22.0000 -1.563E-01 X I 22.5000 -1.457E-01 X I 23.0000 -1.355E-01 X I 23.5000 -1.256E-01 X I 24.0000 -1.162E-01 X I 24.5000 -1.072E-01 X I 25.0000 -9.868E-02 X I 25.5000 -9.062E-02 X I 26.0000 -8.303E-02 X I 26.5000 -7.593E-02 X I 27.0000 -6.929E-02 X I 27.5000 -6.311E-02 X I 28.0000 -5.738E-02 X I 28.5000 -5.207E-02 X I 29.0000 -4.717E-02 X I 29.5000 -4.267E-02 X I 30.0000 -3.853E-02 X I 31.0000 -3.128E-02 X I 32.0000 -2.524E-02 X I 33.0000 -2.026E-02 X I 34.0000 -1.619E-02 X I 35.0000 -1.287E-02 X I 36.0000 -1.018E-02 X I 37.0000 -8.025E-03 XI 38.0000 -6.299E-03 XI 39.0000 -4.926E-03 XI 40.0000 -3.838E-03 XI 41.0000 -2.981E-03 XI 0.0 0.0 0.0 0.0 j d8 7g d8 7g 148741.2 131887.5 17000.0 45 28.01 CONFIG=d8 7g d8 L=4 ELIM= 161648.800 N= 7 E= 148741.200 E= -0.11762271 Z=2.0000 L=4.0000 STEP=-.0500 NUM= 12100 NSAVE=12100 IRREG=0 IFITER=99 NNODES= 2 NUMR 11831 NUMS 11831 NUML 12051 RS 13.506 RL 2.500 RMAX 4.00000000 RMIN -1.00000000 RSCALE 3.88349515 RMAX 3.88349515 RMIN -1.00000000 RSCALE 3.77038364 RMAX 3.77038364 RMIN -1.00000000 RSCALE 3.66056664 RMAX 3.66056664 RMIN -1.00000000 RSCALE 3.55394819 RMAX 3.55394819 RMIN -1.00000000 RSCALE 3.45043514 RMAX 3.45043514 RMIN -1.00000000 RSCALE 3.34993703 RMAX 3.45043514 RMIN 3.34993703 RSCALE 3.40018608 DEL 0.88389829 RSCALE 3.40018608 RMAX 3.45043514 RMIN 3.36718053 RSCALE 3.40018608 DEL 0.88390243 RSCALE 3.40018608 DEL 0.88390312 RSCALE 3.40018608 DEL 0.88222773 RSCALE 3.40019332 DEL -1.41410582 RSCALE 3.40400279 DEL 0.43747612 RSCALE 3.40165688 DEL 0.18752593 RSCALE 3.40221115 DEL -0.04838195 RSCALE 3.40262700 DEL 0.00415699 RSCALE 3.40254171 DEL 0.00008500 RSCALE 3.40254846 DEL -0.00000015 RSCALE 3.40254860 DEL 0.00000000 RSCALE 3.40254860 CNORM= 1.02895E+00 0.0500 1.113E-06 X 0.1000 2.732E-05 X 0.1500 1.604E-04 X 0.2000 5.262E-04 X 0.2500 1.258E-03 X 0.3000 2.466E-03 IX 0.3500 4.220E-03 IX 0.4000 6.545E-03 IX 0.4500 9.426E-03 I X 0.5000 1.281E-02 I X 0.5500 1.662E-02 I X 0.6000 2.075E-02 I X 0.6500 2.512E-02 I X 0.7000 2.960E-02 I X 0.7500 3.411E-02 I X 0.8000 3.853E-02 I X 0.8500 4.280E-02 I X 0.9000 4.683E-02 I X 0.9500 5.056E-02 I X 1.0000 5.394E-02 I X 1.1000 5.952E-02 I X 1.2000 6.336E-02 I X 1.3000 6.542E-02 I X 1.4000 6.574E-02 I X 1.5000 6.444E-02 I X 1.6000 6.169E-02 I X 1.7000 5.766E-02 I X 1.8000 5.256E-02 I X 1.9000 4.657E-02 I X 2.0000 3.987E-02 I X 2.1000 3.261E-02 I X 2.2000 2.495E-02 I X 2.3000 1.700E-02 I X 2.4000 8.883E-03 I X 2.5000 6.820E-04 X 2.6000 -7.526E-03 X I 2.7000 -1.568E-02 X I 2.8000 -2.373E-02 X I 2.9000 -3.163E-02 X I 3.0000 -3.936E-02 X I 3.1000 -4.690E-02 X I 3.2000 -5.422E-02 X I 3.3000 -6.132E-02 X I 3.4000 -6.819E-02 X I 3.5000 -7.483E-02 X I 3.6000 -8.124E-02 X I 3.7000 -8.742E-02 X I 3.8000 -9.337E-02 X I 3.9000 -9.911E-02 X I 4.0000 -1.046E-01 X I 4.1000 -1.099E-01 X I 4.2000 -1.151E-01 X I 4.3000 -1.200E-01 X I 4.4000 -1.247E-01 X I 4.5000 -1.293E-01 X I 4.6000 -1.337E-01 X I 4.7000 -1.379E-01 X I 4.8000 -1.420E-01 X I 4.9000 -1.459E-01 X I 5.0000 -1.497E-01 X I 5.2000 -1.568E-01 X I 5.4000 -1.633E-01 X I 5.6000 -1.694E-01 X I 5.8000 -1.749E-01 X I 6.0000 -1.799E-01 X I 6.2000 -1.845E-01 X I 6.4000 -1.885E-01 X I 6.6000 -1.921E-01 X I 6.8000 -1.951E-01 X I 7.0000 -1.977E-01 X I 7.2000 -1.997E-01 X I 7.4000 -2.012E-01 X I 7.6000 -2.021E-01 X I 7.8000 -2.025E-01 X I 8.0000 -2.022E-01 X I 8.2000 -2.014E-01 X I 8.4000 -2.000E-01 X I 8.6000 -1.979E-01 X I 8.8000 -1.953E-01 X I 9.0000 -1.920E-01 X I 9.2000 -1.881E-01 X I 9.4000 -1.837E-01 X I 9.6000 -1.786E-01 X I 9.8000 -1.729E-01 X I 10.0000 -1.667E-01 X I 10.2500 -1.581E-01 X I 10.5000 -1.487E-01 X I 10.7500 -1.386E-01 X I 11.0000 -1.277E-01 X I 11.2500 -1.162E-01 X I 11.5000 -1.041E-01 X I 11.7500 -9.156E-02 X I 12.0000 -7.853E-02 X I 12.2500 -6.512E-02 X I 12.5000 -5.140E-02 X I 12.7500 -3.745E-02 X I 13.0000 -2.332E-02 X I 13.2500 -9.087E-03 X I 13.5000 5.185E-03 IX 13.7500 1.943E-02 I X 14.0000 3.360E-02 I X 14.2500 4.763E-02 I X 14.5000 6.147E-02 I X 14.7500 7.506E-02 I X 15.0000 8.837E-02 I X 15.5000 1.139E-01 I X 16.0000 1.379E-01 I X 16.5000 1.600E-01 I X 17.0000 1.800E-01 I X 17.5000 1.979E-01 I X 18.0000 2.135E-01 I X 18.5000 2.268E-01 I X 19.0000 2.379E-01 I X 19.5000 2.467E-01 I X 20.0000 2.534E-01 I X 20.5000 2.580E-01 I X 21.0000 2.607E-01 I X 21.5000 2.616E-01 I X 22.0000 2.608E-01 I X 22.5000 2.586E-01 I X 23.0000 2.550E-01 I X 23.5000 2.503E-01 I X 24.0000 2.445E-01 I X 24.5000 2.379E-01 I X 25.0000 2.305E-01 I X 25.5000 2.225E-01 I X 26.0000 2.140E-01 I X 26.5000 2.052E-01 I X 27.0000 1.962E-01 I X 27.5000 1.870E-01 I X 28.0000 1.777E-01 I X 28.5000 1.684E-01 I X 29.0000 1.592E-01 I X 29.5000 1.502E-01 I X 30.0000 1.413E-01 I X 31.0000 1.243E-01 I X 32.0000 1.085E-01 I X 33.0000 9.397E-02 I X 34.0000 8.083E-02 I X 35.0000 6.907E-02 I X 36.0000 5.868E-02 I X 37.0000 4.957E-02 I X 38.0000 4.166E-02 I X 39.0000 3.484E-02 I X 40.0000 2.900E-02 I X 41.0000 2.403E-02 I X 42.0000 1.983E-02 I X 43.0000 1.630E-02 I X 44.0000 1.335E-02 I X 45.0000 1.090E-02 I X 46.0000 8.865E-03 I X 47.0000 7.189E-03 I X 48.0000 5.811E-03 IX 49.0000 4.684E-03 IX 50.0000 3.765E-03 IX 0.0 0.0 0.0 0.0 k d8 8g d8 8g 150991.8 133991.8 FIXEDHF 17000.0 46 28.01 CONFIG=d8 8g d8 L=4 ELIM= 161648.800 N= 8 E= 150991.800 E= -0.09711373 Z=2.0000 L=4.0000 STEP=-.0500 NUM= 13400 NSAVE=13400 IRREG=0 IFITER=99 NNODES= 3 NUMR 13131 NUMS 13131 NUML 13351 RS 13.506 RL 2.500 RMAX 4.00000000 RMIN -1.00000000 RSCALE 3.88349515 DEL 0.95993457 RSCALE 3.88349515 DEL 0.88109076 RSCALE 3.84579812 DEL 0.78563039 RSCALE 3.80846701 DEL 0.66919084 RSCALE 3.77149828 DEL 0.52552750 RSCALE 3.73488840 DEL 0.34543312 RSCALE 3.69863390 DEL 0.11480323 RSCALE 3.66273132 DEL -0.02648940 RSCALE 3.64485969 DEL 0.00161282 RSCALE 3.64821024 DEL 0.00002132 RSCALE 3.64801795 DEL -0.00000002 RSCALE 3.64801537 DEL 0.00000000 RSCALE 3.64801537 CNORM= 1.01071E+00 0.0500 1.830E-06 X 0.1000 4.485E-05 X 0.1500 2.627E-04 X 0.2000 8.589E-04 X 0.2500 2.045E-03 X 0.3000 3.990E-03 IX 0.3500 6.793E-03 I X 0.4000 1.047E-02 I X 0.4500 1.499E-02 I X 0.5000 2.022E-02 I X 0.5500 2.602E-02 I X 0.6000 3.222E-02 I X 0.6500 3.864E-02 I X 0.7000 4.508E-02 I X 0.7500 5.139E-02 I X 0.8000 5.739E-02 I X 0.8500 6.296E-02 I X 0.9000 6.798E-02 I X 0.9500 7.237E-02 I X 1.0000 7.604E-02 I X 1.1000 8.110E-02 I X 1.2000 8.299E-02 I X 1.3000 8.180E-02 I X 1.4000 7.777E-02 I X 1.5000 7.123E-02 I X 1.6000 6.258E-02 I X 1.7000 5.225E-02 I X 1.8000 4.063E-02 I X 1.9000 2.809E-02 I X 2.0000 1.498E-02 I X 2.1000 1.592E-03 X 2.2000 -1.183E-02 X I 2.3000 -2.507E-02 X I 2.4000 -3.797E-02 X I 2.5000 -5.039E-02 X I 2.6000 -6.222E-02 X I 2.7000 -7.340E-02 X I 2.8000 -8.387E-02 X I 2.9000 -9.360E-02 X I 3.0000 -1.026E-01 X I 3.1000 -1.108E-01 X I 3.2000 -1.183E-01 X I 3.3000 -1.250E-01 X I 3.4000 -1.310E-01 X I 3.5000 -1.363E-01 X I 3.6000 -1.409E-01 X I 3.7000 -1.449E-01 X I 3.8000 -1.483E-01 X I 3.9000 -1.511E-01 X I 4.0000 -1.534E-01 X I 4.1000 -1.551E-01 X I 4.2000 -1.564E-01 X I 4.3000 -1.572E-01 X I 4.4000 -1.576E-01 X I 4.5000 -1.575E-01 X I 4.6000 -1.571E-01 X I 4.7000 -1.564E-01 X I 4.8000 -1.553E-01 X I 4.9000 -1.539E-01 X I 5.0000 -1.522E-01 X I 5.2000 -1.480E-01 X I 5.4000 -1.428E-01 X I 5.6000 -1.368E-01 X I 5.8000 -1.300E-01 X I 6.0000 -1.225E-01 X I 6.2000 -1.145E-01 X I 6.4000 -1.059E-01 X I 6.6000 -9.680E-02 X I 6.8000 -8.732E-02 X I 7.0000 -7.747E-02 X I 7.2000 -6.729E-02 X I 7.4000 -5.685E-02 X I 7.6000 -4.617E-02 X I 7.8000 -3.531E-02 X I 8.0000 -2.431E-02 X I 8.2000 -1.321E-02 X I 8.4000 -2.060E-03 X 8.6000 9.100E-03 I X 8.8000 2.022E-02 I X 9.0000 3.126E-02 I X 9.2000 4.218E-02 I X 9.4000 5.292E-02 I X 9.6000 6.345E-02 I X 9.8000 7.371E-02 I X 10.0000 8.368E-02 I X 10.2500 9.564E-02 I X 10.5000 1.070E-01 I X 10.7500 1.177E-01 I X 11.0000 1.276E-01 I X 11.2500 1.367E-01 I X 11.5000 1.449E-01 I X 11.7500 1.523E-01 I X 12.0000 1.587E-01 I X 12.2500 1.642E-01 I X 12.5000 1.686E-01 I X 12.7500 1.721E-01 I X 13.0000 1.746E-01 I X 13.2500 1.760E-01 I X 13.5000 1.765E-01 I X 13.7500 1.759E-01 I X 14.0000 1.744E-01 I X 14.2500 1.720E-01 I X 14.5000 1.686E-01 I X 14.7500 1.644E-01 I X 15.0000 1.593E-01 I X 15.5000 1.468E-01 I X 16.0000 1.314E-01 I X 16.5000 1.136E-01 I X 17.0000 9.373E-02 I X 17.5000 7.225E-02 I X 18.0000 4.957E-02 I X 18.5000 2.610E-02 I X 19.0000 2.232E-03 IX 19.5000 -2.167E-02 X I 20.0000 -4.527E-02 X I 20.5000 -6.828E-02 X I 21.0000 -9.043E-02 X I 21.5000 -1.115E-01 X I 22.0000 -1.313E-01 X I 22.5000 -1.497E-01 X I 23.0000 -1.665E-01 X I 23.5000 -1.817E-01 X I 24.0000 -1.953E-01 X I 24.5000 -2.071E-01 X I 25.0000 -2.173E-01 X I 25.5000 -2.257E-01 X I 26.0000 -2.326E-01 X I 26.5000 -2.378E-01 X I 27.0000 -2.416E-01 X I 27.5000 -2.439E-01 X I 28.0000 -2.449E-01 X I 28.5000 -2.447E-01 X I 29.0000 -2.433E-01 X I 29.5000 -2.409E-01 X I 30.0000 -2.375E-01 X I 31.0000 -2.284E-01 X I 32.0000 -2.168E-01 X I 33.0000 -2.033E-01 X I 34.0000 -1.887E-01 X I 35.0000 -1.735E-01 X I 36.0000 -1.581E-01 X I 37.0000 -1.429E-01 X I 38.0000 -1.282E-01 X I 39.0000 -1.142E-01 X I 40.0000 -1.012E-01 X I 41.0000 -8.907E-02 X I 42.0000 -7.799E-02 X I 43.0000 -6.793E-02 X I 44.0000 -5.888E-02 X I 45.0000 -5.080E-02 X I 46.0000 -4.365E-02 X I 47.0000 -3.735E-02 X I 48.0000 -3.183E-02 X I 49.0000 -2.703E-02 X I 50.0000 -2.288E-02 X I 52.0000 -1.622E-02 X I 54.0000 -1.137E-02 X I 56.0000 -7.877E-03 X I 58.0000 -5.403E-03 XI 60.0000 -3.672E-03 XI 62.0000 -2.474E-03 XI 0.0 0.0 0.0 0.0 l d8 9g d8 9g 152434.9 135434.9 FIXEDHF 17000.0 47 28.01 CONFIG=d8 9g d8 L=4 ELIM= 161648.800 N= 9 E= 152434.900 E= -0.08396324 Z=2.0000 L=4.0000 STEP=-.0500 NUM= 14600 NSAVE=14600 IRREG=0 IFITER=99 NNODES= 4 NUMR 14331 NUMS 14331 NUML 14551 RS 13.506 RL 2.500 DEL -4.54142651 RSCALE 4.00000000 DEL -2.51083927 RSCALE 4.03920854 DEL -1.41760584 RSCALE 4.07880140 DEL -0.73940881 RSCALE 4.11878236 DEL -0.28090286 RSCALE 4.15915521 DEL -0.06939630 RSCALE 4.18388957 DEL -0.00851191 RSCALE 4.19200503 DEL -0.00029494 RSCALE 4.19313961 DEL -0.00000130 RSCALE 4.19318033 DEL 0.00000000 RSCALE 4.19318051 CNORM= 1.00277E+00 0.0500 1.752E-06 X 0.1000 4.282E-05 X 0.1500 2.496E-04 X 0.2000 8.115E-04 X 0.2500 1.918E-03 X 0.3000 3.710E-03 IX 0.3500 6.253E-03 IX 0.4000 9.532E-03 I X 0.4500 1.346E-02 I X 0.5000 1.791E-02 I X 0.5500 2.270E-02 I X 0.6000 2.763E-02 I X 0.6500 3.252E-02 I X 0.7000 3.718E-02 I X 0.7500 4.146E-02 I X 0.8000 4.520E-02 I X 0.8500 4.830E-02 I X 0.9000 5.068E-02 I X 0.9500 5.229E-02 I X 1.0000 5.308E-02 I X 1.1000 5.224E-02 I X 1.2000 4.835E-02 I X 1.3000 4.178E-02 I X 1.4000 3.308E-02 I X 1.5000 2.280E-02 I X 1.6000 1.153E-02 I X 1.7000 -2.053E-04 X 1.8000 -1.194E-02 X I 1.9000 -2.328E-02 X I 2.0000 -3.392E-02 X I 2.1000 -4.361E-02 X I 2.2000 -5.218E-02 X I 2.3000 -5.952E-02 X I 2.4000 -6.557E-02 X I 2.5000 -7.031E-02 X I 2.6000 -7.376E-02 X I 2.7000 -7.595E-02 X I 2.8000 -7.696E-02 X I 2.9000 -7.685E-02 X I 3.0000 -7.571E-02 X I 3.1000 -7.363E-02 X I 3.2000 -7.070E-02 X I 3.3000 -6.700E-02 X I 3.4000 -6.265E-02 X I 3.5000 -5.770E-02 X I 3.6000 -5.226E-02 X I 3.7000 -4.640E-02 X I 3.8000 -4.018E-02 X I 3.9000 -3.368E-02 X I 4.0000 -2.695E-02 X I 4.1000 -2.006E-02 X I 4.2000 -1.305E-02 X I 4.3000 -5.972E-03 XI 4.4000 1.141E-03 X 4.5000 8.248E-03 I X 4.6000 1.532E-02 I X 4.7000 2.232E-02 I X 4.8000 2.923E-02 I X 4.9000 3.603E-02 I X 5.0000 4.270E-02 I X 5.2000 5.557E-02 I X 5.4000 6.774E-02 I X 5.6000 7.913E-02 I X 5.8000 8.969E-02 I X 6.0000 9.938E-02 I X 6.2000 1.082E-01 I X 6.4000 1.161E-01 I X 6.6000 1.230E-01 I X 6.8000 1.291E-01 I X 7.0000 1.343E-01 I X 7.2000 1.386E-01 I X 7.4000 1.420E-01 I X 7.6000 1.446E-01 I X 7.8000 1.463E-01 I X 8.0000 1.472E-01 I X 8.2000 1.472E-01 I X 8.4000 1.465E-01 I X 8.6000 1.451E-01 I X 8.8000 1.428E-01 I X 9.0000 1.399E-01 I X 9.2000 1.363E-01 I X 9.4000 1.319E-01 I X 9.6000 1.270E-01 I X 9.8000 1.214E-01 I X 10.0000 1.153E-01 I X 10.2500 1.069E-01 I X 10.5000 9.766E-02 I X 10.7500 8.774E-02 I X 11.0000 7.718E-02 I X 11.2500 6.608E-02 I X 11.5000 5.450E-02 I X 11.7500 4.254E-02 I X 12.0000 3.029E-02 I X 12.2500 1.782E-02 I X 12.5000 5.237E-03 IX 12.7500 -7.385E-03 X I 13.0000 -1.996E-02 X I 13.2500 -3.240E-02 X I 13.5000 -4.463E-02 X I 13.7500 -5.657E-02 X I 14.0000 -6.816E-02 X I 14.2500 -7.933E-02 X I 14.5000 -9.000E-02 X I 14.7500 -1.001E-01 X I 15.0000 -1.097E-01 X I 15.5000 -1.268E-01 X I 16.0000 -1.410E-01 X I 16.5000 -1.522E-01 X I 17.0000 -1.601E-01 X I 17.5000 -1.647E-01 X I 18.0000 -1.661E-01 X I 18.5000 -1.643E-01 X I 19.0000 -1.594E-01 X I 19.5000 -1.518E-01 X I 20.0000 -1.415E-01 X I 20.5000 -1.289E-01 X I 21.0000 -1.143E-01 X I 21.5000 -9.791E-02 X I 22.0000 -8.008E-02 X I 22.5000 -6.112E-02 X I 23.0000 -4.133E-02 X I 23.5000 -2.100E-02 X I 24.0000 -4.040E-04 X 24.5000 2.020E-02 I X 25.0000 4.057E-02 I X 25.5000 6.050E-02 I X 26.0000 7.979E-02 I X 26.5000 9.828E-02 I X 27.0000 1.158E-01 I X 27.5000 1.323E-01 I X 28.0000 1.476E-01 I X 28.5000 1.617E-01 I X 29.0000 1.745E-01 I X 29.5000 1.860E-01 I X 30.0000 1.962E-01 I X 31.0000 2.126E-01 I X 32.0000 2.238E-01 I X 33.0000 2.302E-01 I X 34.0000 2.323E-01 I X 35.0000 2.305E-01 I X 36.0000 2.256E-01 I X 37.0000 2.180E-01 I X 38.0000 2.083E-01 I X 39.0000 1.970E-01 I X 40.0000 1.847E-01 I X 41.0000 1.718E-01 I X 42.0000 1.585E-01 I X 43.0000 1.452E-01 I X 44.0000 1.322E-01 I X 45.0000 1.196E-01 I X 46.0000 1.076E-01 I X 47.0000 9.635E-02 I X 48.0000 8.582E-02 I X 49.0000 7.608E-02 I X 50.0000 6.716E-02 I X 52.0000 5.169E-02 I X 54.0000 3.920E-02 I X 56.0000 2.933E-02 I X 58.0000 2.167E-02 I X 60.0000 1.584E-02 I X 62.0000 1.146E-02 I X 64.0000 8.209E-03 I X 66.0000 5.830E-03 IX 68.0000 4.107E-03 IX 70.0000 2.872E-03 IX HF 3.0 0.0 0.0 0.0 m d7 4s5g d7 4s 5g 209574.4 182574.4 FIXEDHF 27000.0 48 28.01 CONFIG=d7 4s5g d7 4s L=4 ELIM= 200236.500 N= 5 E= 182574.400HF E= -0.16094891 Z=2.0000 L=4.0000 STEP=-.0500 NUM= 10100 NSAVE=10100 IRREG=0 IFITER=99 NNODES= 0 NUMR 9561 NUMS 9561 NUML 10051 RS 27.013 RL 2.500 P0 0.00000000 RSCALE 2.91262136 R 3.17500000 P0 0.00000000 RSCALE 2.82778773 R 2.97500000 P0 0.00000000 RSCALE 2.74542498 R 2.75000000 DEL -0.99125327 RSCALE 2.74542498 P0 0.00000000 RSCALE 2.74542498 R 2.57500000 DEL -0.99125231 RSCALE 2.74542498 DEL -0.99125214 RSCALE 2.74542498 DEL -0.99030099 RSCALE 2.74491736 DEL -0.93265963 RSCALE 2.71827249 DEL -0.85871948 RSCALE 2.69188626 DEL -0.76522179 RSCALE 2.66575616 DEL -0.64741534 RSCALE 2.63987971 DEL -0.49829632 RSCALE 2.61425444 DEL -0.30728266 RSCALE 2.58887791 DEL -0.05776991 RSCALE 2.56374771 DEL 0.01135602 RSCALE 2.55792929 DEL -0.00034406 RSCALE 2.55888514 DEL -0.00000198 RSCALE 2.55885704 DEL 0.00000000 RSCALE 2.55885687 CNORM= 1.01202E+00 0.0500 4.046E-08 X 0.1000 1.000E-06 X 0.1500 5.939E-06 X 0.2000 1.976E-05 X 0.2500 4.808E-05 X 0.3000 9.618E-05 X 0.3500 1.684E-04 X 0.4000 2.680E-04 X 0.4500 3.969E-04 X 0.5000 5.559E-04 X 0.5500 7.448E-04 X 0.6000 9.630E-04 X 0.6500 1.209E-03 X 0.7000 1.481E-03 X 0.7500 1.777E-03 X 0.8000 2.096E-03 X 0.8500 2.435E-03 X 0.9000 2.792E-03 X 0.9500 3.165E-03 IX 1.0000 3.553E-03 IX 1.1000 4.368E-03 IX 1.2000 5.227E-03 IX 1.3000 6.123E-03 IX 1.4000 7.050E-03 IX 1.5000 8.008E-03 IX 1.6000 8.995E-03 I X 1.7000 1.001E-02 I X 1.8000 1.106E-02 I X 1.9000 1.214E-02 I X 2.0000 1.326E-02 I X 2.1000 1.443E-02 I X 2.2000 1.563E-02 I X 2.3000 1.689E-02 I X 2.4000 1.820E-02 I X 2.5000 1.956E-02 I X 2.6000 2.099E-02 I X 2.7000 2.248E-02 I X 2.8000 2.405E-02 I X 2.9000 2.568E-02 I X 3.0000 2.739E-02 I X 3.1000 2.918E-02 I X 3.2000 3.105E-02 I X 3.3000 3.301E-02 I X 3.4000 3.506E-02 I X 3.5000 3.720E-02 I X 3.6000 3.943E-02 I X 3.7000 4.176E-02 I X 3.8000 4.418E-02 I X 3.9000 4.671E-02 I X 4.0000 4.933E-02 I X 4.1000 5.206E-02 I X 4.2000 5.488E-02 I X 4.3000 5.781E-02 I X 4.4000 6.084E-02 I X 4.5000 6.398E-02 I X 4.6000 6.721E-02 I X 4.7000 7.055E-02 I X 4.8000 7.398E-02 I X 4.9000 7.751E-02 I X 5.0000 8.114E-02 I X 5.2000 8.868E-02 I X 5.4000 9.657E-02 I X 5.6000 1.048E-01 I X 5.8000 1.133E-01 I X 6.0000 1.221E-01 I X 6.2000 1.311E-01 I X 6.4000 1.402E-01 I X 6.6000 1.495E-01 I X 6.8000 1.589E-01 I X 7.0000 1.683E-01 I X 7.2000 1.777E-01 I X 7.4000 1.871E-01 I X 7.6000 1.963E-01 I X 7.8000 2.054E-01 I X 8.0000 2.143E-01 I X 8.2000 2.229E-01 I X 8.4000 2.313E-01 I X 8.6000 2.394E-01 I X 8.8000 2.472E-01 I X 9.0000 2.546E-01 I X 9.2000 2.617E-01 I X 9.4000 2.684E-01 I X 9.6000 2.746E-01 I X 9.8000 2.805E-01 I X 10.0000 2.858E-01 I X 10.2500 2.920E-01 I X 10.5000 2.974E-01 I X 10.7500 3.021E-01 I X 11.0000 3.060E-01 I X 11.2500 3.093E-01 I X 11.5000 3.118E-01 I X 11.7500 3.137E-01 I X 12.0000 3.149E-01 I X 12.2500 3.154E-01 I X 12.5000 3.153E-01 I X 12.7500 3.145E-01 I X 13.0000 3.132E-01 I X 13.2500 3.113E-01 I X 13.5000 3.090E-01 I X 13.7500 3.061E-01 I X 14.0000 3.027E-01 I X 14.2500 2.989E-01 I X 14.5000 2.947E-01 I X 14.7500 2.902E-01 I X 15.0000 2.853E-01 I X 15.5000 2.747E-01 I X 16.0000 2.631E-01 I X 16.5000 2.508E-01 I X 17.0000 2.380E-01 I X 17.5000 2.249E-01 I X 18.0000 2.117E-01 I X 18.5000 1.984E-01 I X 19.0000 1.854E-01 I X 19.5000 1.726E-01 I X 20.0000 1.602E-01 I X 20.5000 1.482E-01 I X 21.0000 1.367E-01 I X 21.5000 1.257E-01 I X 22.0000 1.153E-01 I X 22.5000 1.055E-01 I X 23.0000 9.630E-02 I X 23.5000 8.769E-02 I X 24.0000 7.968E-02 I X 24.5000 7.224E-02 I X 25.0000 6.536E-02 I X 25.5000 5.901E-02 I X 26.0000 5.319E-02 I X 26.5000 4.784E-02 I X 27.0000 4.296E-02 I X 27.5000 3.852E-02 I X 28.0000 3.447E-02 I X 28.5000 3.080E-02 I X 29.0000 2.748E-02 I X 29.5000 2.449E-02 I X 30.0000 2.178E-02 I X 31.0000 1.717E-02 I X 32.0000 1.346E-02 I X 33.0000 1.051E-02 I X 34.0000 8.162E-03 IX 35.0000 6.313E-03 IX 36.0000 4.863E-03 IX 37.0000 3.732E-03 IX 0.0 0.0 0.0 0.0 n d7 4s6g d7 4s 6g 214963.9 187963.9 FIXEDHF 27000.0 49 28.01 CONFIG=d7 4s6g d7 4s L=4 ELIM= 229263.300 N= 6 E= 214963.900 E= -0.13030573 Z=2.0000 L=4.0000 STEP=-.0500 NUM= 11400 NSAVE=11400 IRREG=0 IFITER=99 NNODES= 1 NUMR 11131 NUMS 11131 NUML 11351 RS 13.506 RL 2.500 P0 0.00000000 RSCALE 3.88349515 R 2.87500000 P0 0.00000000 RSCALE 3.77038364 R 2.67500000 RMAX 3.77038364 RMIN -1.00000000 RSCALE 3.66056664 RMAX 3.66056664 RMIN -1.00000000 RSCALE 3.55394819 RMAX 3.55394819 RMIN -1.00000000 RSCALE 3.45043514 RMAX 3.45043514 RMIN -1.00000000 RSCALE 3.34993703 RMAX 3.34993703 RMIN -1.00000000 RSCALE 3.25236605 RMAX 3.25236605 RMIN -1.00000000 RSCALE 3.15763694 RMAX 3.15763694 RMIN -1.00000000 RSCALE 3.06566693 RMAX 3.06566693 RMIN -1.00000000 RSCALE 2.97637566 RMAX 2.97637566 RMIN -1.00000000 RSCALE 2.88968511 RMAX 2.97637566 RMIN 2.88968511 RSCALE 2.93303038 RMAX 2.97637566 RMIN 2.93303038 RSCALE 2.95470302 DEL 0.89260034 RSCALE 2.95470302 RMAX 2.97637566 RMIN 2.94386670 RSCALE 2.97272288 DEL -26.21555696 RSCALE 2.97272288 DEL 0.82315421 RSCALE 2.95529637 DEL 0.75720197 RSCALE 2.95582689 DEL -0.41422743 RSCALE 2.96191788 DEL 0.11402446 RSCALE 2.95976406 DEL 0.01388122 RSCALE 2.96022896 DEL -0.00053270 RSCALE 2.96029341 DEL 0.00000240 RSCALE 2.96029103 DEL 0.00000000 RSCALE 2.96029104 CNORM= 1.20117E+00 0.0500 2.266E-06 X 0.1000 5.581E-05 X 0.1500 3.293E-04 X 0.2000 1.088E-03 X 0.2500 2.621E-03 X 0.3000 5.188E-03 IX 0.3500 8.976E-03 I X 0.4000 1.409E-02 I X 0.4500 2.057E-02 I X 0.5000 2.837E-02 I X 0.5500 3.739E-02 I X 0.6000 4.749E-02 I X 0.6500 5.853E-02 I X 0.7000 7.032E-02 I X 0.7500 8.270E-02 I X 0.8000 9.548E-02 I X 0.8500 1.085E-01 I X 0.9000 1.216E-01 I X 0.9500 1.347E-01 I X 1.0000 1.476E-01 I X 1.1000 1.725E-01 I X 1.2000 1.957E-01 I X 1.3000 2.168E-01 I X 1.4000 2.356E-01 I X 1.5000 2.520E-01 I X 1.6000 2.660E-01 I X 1.7000 2.777E-01 I X 1.8000 2.873E-01 I X 1.9000 2.949E-01 I X 2.0000 3.008E-01 I X 2.1000 3.051E-01 I X 2.2000 3.081E-01 I X 2.3000 3.098E-01 I X 2.4000 3.105E-01 I X 2.5000 3.103E-01 I X 2.6000 3.093E-01 I X 2.7000 3.078E-01 I X 2.8000 3.057E-01 I X 2.9000 3.032E-01 I X 3.0000 3.004E-01 I X 3.1000 2.973E-01 I X 3.2000 2.939E-01 I X 3.3000 2.905E-01 I X 3.4000 2.869E-01 I X 3.5000 2.832E-01 I X 3.6000 2.795E-01 I X 3.7000 2.758E-01 I X 3.8000 2.721E-01 I X 3.9000 2.684E-01 I X 4.0000 2.648E-01 I X 4.1000 2.611E-01 I X 4.2000 2.576E-01 I X 4.3000 2.540E-01 I X 4.4000 2.506E-01 I X 4.5000 2.472E-01 I X 4.6000 2.438E-01 I X 4.7000 2.405E-01 I X 4.8000 2.373E-01 I X 4.9000 2.341E-01 I X 5.0000 2.309E-01 I X 5.2000 2.247E-01 I X 5.4000 2.186E-01 I X 5.6000 2.126E-01 I X 5.8000 2.066E-01 I X 6.0000 2.006E-01 I X 6.2000 1.945E-01 I X 6.4000 1.883E-01 I X 6.6000 1.819E-01 I X 6.8000 1.754E-01 I X 7.0000 1.686E-01 I X 7.2000 1.616E-01 I X 7.4000 1.543E-01 I X 7.6000 1.467E-01 I X 7.8000 1.389E-01 I X 8.0000 1.307E-01 I X 8.2000 1.223E-01 I X 8.4000 1.135E-01 I X 8.6000 1.045E-01 I X 8.8000 9.517E-02 I X 9.0000 8.562E-02 I X 9.2000 7.584E-02 I X 9.4000 6.585E-02 I X 9.6000 5.568E-02 I X 9.8000 4.536E-02 I X 10.0000 3.491E-02 I X 10.2500 2.172E-02 I X 10.5000 8.425E-03 IX 10.7500 -4.901E-03 XI 11.0000 -1.821E-02 X I 11.2500 -3.144E-02 X I 11.5000 -4.453E-02 X I 11.7500 -5.744E-02 X I 12.0000 -7.012E-02 X I 12.2500 -8.252E-02 X I 12.5000 -9.459E-02 X I 12.7500 -1.063E-01 X I 13.0000 -1.176E-01 X I 13.2500 -1.285E-01 X I 13.5000 -1.389E-01 X I 13.7500 -1.488E-01 X I 14.0000 -1.582E-01 X I 14.2500 -1.671E-01 X I 14.5000 -1.755E-01 X I 14.7500 -1.833E-01 X I 15.0000 -1.905E-01 X I 15.5000 -2.032E-01 X I 16.0000 -2.138E-01 X I 16.5000 -2.220E-01 X I 17.0000 -2.282E-01 X I 17.5000 -2.323E-01 X I 18.0000 -2.345E-01 X I 18.5000 -2.349E-01 X I 19.0000 -2.337E-01 X I 19.5000 -2.311E-01 X I 20.0000 -2.272E-01 X I 20.5000 -2.221E-01 X I 21.0000 -2.161E-01 X I 21.5000 -2.093E-01 X I 22.0000 -2.019E-01 X I 22.5000 -1.939E-01 X I 23.0000 -1.855E-01 X I 23.5000 -1.769E-01 X I 24.0000 -1.681E-01 X I 24.5000 -1.593E-01 X I 25.0000 -1.504E-01 X I 25.5000 -1.417E-01 X I 26.0000 -1.331E-01 X I 26.5000 -1.246E-01 X I 27.0000 -1.165E-01 X I 27.5000 -1.086E-01 X I 28.0000 -1.010E-01 X I 28.5000 -9.375E-02 X I 29.0000 -8.683E-02 X I 29.5000 -8.027E-02 X I 30.0000 -7.406E-02 X I 31.0000 -6.270E-02 X I 32.0000 -5.272E-02 X I 33.0000 -4.406E-02 X I 34.0000 -3.660E-02 X I 35.0000 -3.023E-02 X I 36.0000 -2.484E-02 X I 37.0000 -2.032E-02 X I 38.0000 -1.654E-02 X I 39.0000 -1.341E-02 X I 40.0000 -1.083E-02 X I 41.0000 -8.706E-03 X I 42.0000 -6.975E-03 XI 43.0000 -5.570E-03 XI 44.0000 -4.433E-03 XI 45.0000 -3.517E-03 XI 0.0 0.0 0.0 0.0 o d7 4s7g d7 4s 7g 218222.6 191222.6 FIXEDHF 27000.0 50 28.01 CONFIG=d7 4s7g d7 4s L=4 ELIM= 229263.300 N= 7 E= 218222.600 E= -0.10061027 Z=2.0000 L=4.0000 STEP=-.0500 NUM= 13200 NSAVE=13200 IRREG=0 IFITER=99 NNODES= 2 NUMR 12931 NUMS 12931 NUML 13151 RS 13.506 RL 2.500 RMAX 4.00000000 RMIN -1.00000000 RSCALE 3.88349515 RMAX 3.88349515 RMIN -1.00000000 RSCALE 3.77038364 RMAX 3.77038364 RMIN -1.00000000 RSCALE 3.66056664 RMAX 3.66056664 RMIN -1.00000000 RSCALE 3.55394819 RMAX 3.55394819 RMIN -1.00000000 RSCALE 3.45043514 RMAX 3.45043514 RMIN -1.00000000 RSCALE 3.34993703 RMAX 3.34993703 RMIN -1.00000000 RSCALE 3.25236605 RMAX 3.25236605 RMIN -1.00000000 RSCALE 3.15763694 RMAX 3.15763694 RMIN -1.00000000 RSCALE 3.06566693 RMAX 3.06566693 RMIN -1.00000000 RSCALE 2.97637566 DEL -1.05207251 RSCALE 2.97637566 DEL -11.61950431 RSCALE 3.00555049 DEL -1.05207256 RSCALE 2.97637566 DEL -0.75288771 RSCALE 2.97347107 DEL -0.15102849 RSCALE 2.96616178 DEL -0.02638816 RSCALE 2.96432761 DEL -0.00112070 RSCALE 2.96393929 DEL -0.00000870 RSCALE 2.96392207 DEL 0.00000000 RSCALE 2.96392193 CNORM= 1.06059E+00 0.0500 1.730E-06 X 0.1000 4.260E-05 X 0.1500 2.514E-04 X 0.2000 8.301E-04 X 0.2500 2.000E-03 X 0.3000 3.958E-03 IX 0.3500 6.848E-03 I X 0.4000 1.075E-02 I X 0.4500 1.569E-02 I X 0.5000 2.163E-02 I X 0.5500 2.850E-02 I X 0.6000 3.619E-02 I X 0.6500 4.459E-02 I X 0.7000 5.356E-02 I X 0.7500 6.296E-02 I X 0.8000 7.266E-02 I X 0.8500 8.253E-02 I X 0.9000 9.247E-02 I X 0.9500 1.024E-01 I X 1.0000 1.121E-01 I X 1.1000 1.309E-01 I X 1.2000 1.483E-01 I X 1.3000 1.641E-01 I X 1.4000 1.781E-01 I X 1.5000 1.901E-01 I X 1.6000 2.003E-01 I X 1.7000 2.087E-01 I X 1.8000 2.154E-01 I X 1.9000 2.205E-01 I X 2.0000 2.243E-01 I X 2.1000 2.268E-01 I X 2.2000 2.282E-01 I X 2.3000 2.286E-01 I X 2.4000 2.282E-01 I X 2.5000 2.270E-01 I X 2.6000 2.252E-01 I X 2.7000 2.229E-01 I X 2.8000 2.202E-01 I X 2.9000 2.170E-01 I X 3.0000 2.136E-01 I X 3.1000 2.099E-01 I X 3.2000 2.060E-01 I X 3.3000 2.019E-01 I X 3.4000 1.976E-01 I X 3.5000 1.933E-01 I X 3.6000 1.888E-01 I X 3.7000 1.843E-01 I X 3.8000 1.797E-01 I X 3.9000 1.751E-01 I X 4.0000 1.705E-01 I X 4.1000 1.658E-01 I X 4.2000 1.611E-01 I X 4.3000 1.564E-01 I X 4.4000 1.516E-01 I X 4.5000 1.469E-01 I X 4.6000 1.421E-01 I X 4.7000 1.373E-01 I X 4.8000 1.326E-01 I X 4.9000 1.278E-01 I X 5.0000 1.229E-01 I X 5.2000 1.133E-01 I X 5.4000 1.035E-01 I X 5.6000 9.367E-02 I X 5.8000 8.372E-02 I X 6.0000 7.365E-02 I X 6.2000 6.348E-02 I X 6.4000 5.319E-02 I X 6.6000 4.280E-02 I X 6.8000 3.231E-02 I X 7.0000 2.174E-02 I X 7.2000 1.111E-02 I X 7.4000 4.538E-04 X 7.6000 -1.020E-02 X I 7.8000 -2.083E-02 X I 8.0000 -3.139E-02 X I 8.2000 -4.183E-02 X I 8.4000 -5.213E-02 X I 8.6000 -6.223E-02 X I 8.8000 -7.210E-02 X I 9.0000 -8.170E-02 X I 9.2000 -9.097E-02 X I 9.4000 -9.989E-02 X I 9.6000 -1.084E-01 X I 9.8000 -1.165E-01 X I 10.0000 -1.242E-01 X I 10.2500 -1.330E-01 X I 10.5000 -1.410E-01 X I 10.7500 -1.482E-01 X I 11.0000 -1.544E-01 X I 11.2500 -1.597E-01 X I 11.5000 -1.640E-01 X I 11.7500 -1.674E-01 X I 12.0000 -1.697E-01 X I 12.2500 -1.711E-01 X I 12.5000 -1.715E-01 X I 12.7500 -1.709E-01 X I 13.0000 -1.693E-01 X I 13.2500 -1.668E-01 X I 13.5000 -1.634E-01 X I 13.7500 -1.591E-01 X I 14.0000 -1.539E-01 X I 14.2500 -1.480E-01 X I 14.5000 -1.413E-01 X I 14.7500 -1.339E-01 X I 15.0000 -1.259E-01 X I 15.5000 -1.080E-01 X I 16.0000 -8.809E-02 X I 16.5000 -6.664E-02 X I 17.0000 -4.405E-02 X I 17.5000 -2.074E-02 X I 18.0000 2.906E-03 IX 18.5000 2.651E-02 I X 19.0000 4.973E-02 I X 19.5000 7.228E-02 I X 20.0000 9.390E-02 I X 20.5000 1.144E-01 I X 21.0000 1.335E-01 I X 21.5000 1.511E-01 I X 22.0000 1.672E-01 I X 22.5000 1.815E-01 I X 23.0000 1.942E-01 I X 23.5000 2.052E-01 I X 24.0000 2.144E-01 I X 24.5000 2.220E-01 I X 25.0000 2.279E-01 I X 25.5000 2.323E-01 I X 26.0000 2.352E-01 I X 26.5000 2.367E-01 I X 27.0000 2.369E-01 I X 27.5000 2.360E-01 I X 28.0000 2.339E-01 I X 28.5000 2.309E-01 I X 29.0000 2.270E-01 I X 29.5000 2.223E-01 I X 30.0000 2.169E-01 I X 31.0000 2.046E-01 I X 32.0000 1.908E-01 I X 33.0000 1.759E-01 I X 34.0000 1.607E-01 I X 35.0000 1.456E-01 I X 36.0000 1.308E-01 I X 37.0000 1.166E-01 I X 38.0000 1.033E-01 I X 39.0000 9.089E-02 I X 40.0000 7.951E-02 I X 41.0000 6.918E-02 I X 42.0000 5.988E-02 I X 43.0000 5.157E-02 I X 44.0000 4.422E-02 I X 45.0000 3.775E-02 I X 46.0000 3.209E-02 I X 47.0000 2.718E-02 I X 48.0000 2.294E-02 I X 49.0000 1.929E-02 I X 50.0000 1.616E-02 I X 52.0000 1.125E-02 I X 54.0000 7.735E-03 I X 56.0000 5.264E-03 IX 58.0000 3.548E-03 IX 60.0000 2.370E-03 IX 0.0 0.0 0.0 0.0 p d7 4s8g d7 4s 8g 220337.9 193337.9 FIXEDHF 27000.0 51 28.01 CONFIG=d7 4s8g d7 4s L=4 ELIM= 229263.300 N= 8 E= 220337.900 E= -0.08133423 Z=2.0000 L=4.0000 STEP=-.0500 NUM= 14900 NSAVE=14900 IRREG=0 IFITER=99 NNODES= 3 NUMR 14631 NUMS 14631 NUML 14851 RS 13.506 RL 2.500 RMAX 4.00000000 RMIN -1.00000000 RSCALE 3.88349515 RMAX 3.88349515 RMIN -1.00000000 RSCALE 3.77038364 RMAX 3.77038364 RMIN -1.00000000 RSCALE 3.66056664 RMAX 3.66056664 RMIN -1.00000000 RSCALE 3.55394819 RMAX 3.55394819 RMIN -1.00000000 RSCALE 3.45043514 RMAX 3.45043514 RMIN -1.00000000 RSCALE 3.34993703 DEL -33.93524663 RSCALE 3.34993703 DEL -152.64836861 RSCALE 3.38277356 DEL -33.93524108 RSCALE 3.34993703 DEL -26.39754802 RSCALE 3.34055040 DEL -13.31200767 RSCALE 3.30812373 DEL -7.76601347 RSCALE 3.27601182 DEL -4.82034027 RSCALE 3.24421163 DEL -3.04858239 RSCALE 3.21272011 DEL -1.89412063 RSCALE 3.18153429 DEL -1.09833369 RSCALE 3.15065118 DEL -0.52629961 RSCALE 3.12006786 DEL -0.12801436 RSCALE 3.09192969 DEL -0.01971261 RSCALE 3.08288570 DEL -0.00088638 RSCALE 3.08123955 DEL -0.00000646 RSCALE 3.08116204 DEL 0.00000000 RSCALE 3.08116147 CNORM= 1.00235E+00 0.0500 6.802E-07 X 0.1000 1.673E-05 X 0.1500 9.860E-05 X 0.2000 3.250E-04 X 0.2500 7.813E-04 X 0.3000 1.542E-03 X 0.3500 2.659E-03 IX 0.4000 4.160E-03 IX 0.4500 6.047E-03 IX 0.5000 8.302E-03 I X 0.5500 1.089E-02 I X 0.6000 1.376E-02 I X 0.6500 1.687E-02 I X 0.7000 2.016E-02 I X 0.7500 2.356E-02 I X 0.8000 2.703E-02 I X 0.8500 3.051E-02 I X 0.9000 3.396E-02 I X 0.9500 3.733E-02 I X 1.0000 4.059E-02 I X 1.1000 4.667E-02 I X 1.2000 5.201E-02 I X 1.3000 5.651E-02 I X 1.4000 6.013E-02 I X 1.5000 6.286E-02 I X 1.6000 6.473E-02 I X 1.7000 6.580E-02 I X 1.8000 6.614E-02 I X 1.9000 6.580E-02 I X 2.0000 6.487E-02 I X 2.1000 6.342E-02 I X 2.2000 6.152E-02 I X 2.3000 5.922E-02 I X 2.4000 5.658E-02 I X 2.5000 5.366E-02 I X 2.6000 5.050E-02 I X 2.7000 4.714E-02 I X 2.8000 4.361E-02 I X 2.9000 3.995E-02 I X 3.0000 3.617E-02 I X 3.1000 3.231E-02 I X 3.2000 2.837E-02 I X 3.3000 2.438E-02 I X 3.4000 2.035E-02 I X 3.5000 1.629E-02 I X 3.6000 1.220E-02 I X 3.7000 8.096E-03 I X 3.8000 3.984E-03 IX 3.9000 -1.320E-04 X 4.0000 -4.248E-03 XI 4.1000 -8.361E-03 X I 4.2000 -1.247E-02 X I 4.3000 -1.656E-02 X I 4.4000 -2.065E-02 X I 4.5000 -2.472E-02 X I 4.6000 -2.878E-02 X I 4.7000 -3.281E-02 X I 4.8000 -3.683E-02 X I 4.9000 -4.083E-02 X I 5.0000 -4.480E-02 X I 5.2000 -5.267E-02 X I 5.4000 -6.042E-02 X I 5.6000 -6.802E-02 X I 5.8000 -7.546E-02 X I 6.0000 -8.270E-02 X I 6.2000 -8.971E-02 X I 6.4000 -9.646E-02 X I 6.6000 -1.029E-01 X I 6.8000 -1.090E-01 X I 7.0000 -1.148E-01 X I 7.2000 -1.201E-01 X I 7.4000 -1.250E-01 X I 7.6000 -1.295E-01 X I 7.8000 -1.334E-01 X I 8.0000 -1.367E-01 X I 8.2000 -1.395E-01 X I 8.4000 -1.417E-01 X I 8.6000 -1.432E-01 X I 8.8000 -1.441E-01 X I 9.0000 -1.443E-01 X I 9.2000 -1.438E-01 X I 9.4000 -1.427E-01 X I 9.6000 -1.409E-01 X I 9.8000 -1.385E-01 X I 10.0000 -1.353E-01 X I 10.2500 -1.305E-01 X I 10.5000 -1.248E-01 X I 10.7500 -1.181E-01 X I 11.0000 -1.105E-01 X I 11.2500 -1.022E-01 X I 11.5000 -9.307E-02 X I 11.7500 -8.330E-02 X I 12.0000 -7.293E-02 X I 12.2500 -6.205E-02 X I 12.5000 -5.073E-02 X I 12.7500 -3.906E-02 X I 13.0000 -2.712E-02 X I 13.2500 -1.500E-02 X I 13.5000 -2.784E-03 XI 13.7500 9.454E-03 I X 14.0000 2.163E-02 I X 14.2500 3.367E-02 I X 14.5000 4.550E-02 I X 14.7500 5.704E-02 I X 15.0000 6.823E-02 I X 15.5000 8.934E-02 I X 16.0000 1.084E-01 I X 16.5000 1.249E-01 I X 17.0000 1.388E-01 I X 17.5000 1.497E-01 I X 18.0000 1.575E-01 I X 18.5000 1.623E-01 I X 19.0000 1.639E-01 I X 19.5000 1.625E-01 I X 20.0000 1.583E-01 I X 20.5000 1.513E-01 I X 21.0000 1.418E-01 I X 21.5000 1.301E-01 I X 22.0000 1.163E-01 I X 22.5000 1.009E-01 I X 23.0000 8.397E-02 I X 23.5000 6.593E-02 I X 24.0000 4.701E-02 I X 24.5000 2.751E-02 I X 25.0000 7.663E-03 I X 25.5000 -1.227E-02 X I 26.0000 -3.207E-02 X I 26.5000 -5.153E-02 X I 27.0000 -7.046E-02 X I 27.5000 -8.869E-02 X I 28.0000 -1.061E-01 X I 28.5000 -1.225E-01 X I 29.0000 -1.379E-01 X I 29.5000 -1.522E-01 X I 30.0000 -1.653E-01 X I 31.0000 -1.877E-01 X I 32.0000 -2.052E-01 X I 33.0000 -2.176E-01 X I 34.0000 -2.254E-01 X I 35.0000 -2.290E-01 X I 36.0000 -2.287E-01 X I 37.0000 -2.252E-01 X I 38.0000 -2.189E-01 X I 39.0000 -2.104E-01 X I 40.0000 -2.002E-01 X I 41.0000 -1.887E-01 X I 42.0000 -1.765E-01 X I 43.0000 -1.637E-01 X I 44.0000 -1.509E-01 X I 45.0000 -1.381E-01 X I 46.0000 -1.257E-01 X I 47.0000 -1.137E-01 X I 48.0000 -1.023E-01 X I 49.0000 -9.166E-02 X I 50.0000 -8.171E-02 X I 52.0000 -6.411E-02 X I 54.0000 -4.951E-02 X I 56.0000 -3.769E-02 X I 58.0000 -2.833E-02 X I 60.0000 -2.105E-02 X I 62.0000 -1.547E-02 X I 64.0000 -1.126E-02 X I 66.0000 -8.119E-03 X I 68.0000 -5.806E-03 XI 70.0000 -4.119E-03 XI 72.0000 -2.901E-03 XI 0.0 0.0 0.0 0.0 q d7 4s9g d7 4s 9g 221788.1 194788.1 FIXEDHF 27000.0 52 28.01 CONFIG=d7 4s9g d7 4s L=4 ELIM= 229263.300 N= 9 E= 221788.100 E= -0.06811904 Z=2.0000 L=4.0000 STEP=-.0500 NUM= 16500 NSAVE=16500 IRREG=0 IFITER=99 NNODES= 4 NUMR 16231 NUMS 16231 NUML 16451 RS 13.506 RL 2.500 RMAX 4.00000000 RMIN -1.00000000 RSCALE 3.88349515 RMAX 3.88349515 RMIN -1.00000000 RSCALE 3.77038364 RMAX 3.77038364 RMIN -1.00000000 RSCALE 3.66056664 RMAX 3.66056664 RMIN -1.00000000 RSCALE 3.55394819 DEL 0.92065861 RSCALE 3.55394819 DEL 0.59811674 RSCALE 3.51945007 DEL 0.05397028 RSCALE 3.48528682 DEL -0.02188156 RSCALE 3.48189840 DEL 0.00056711 RSCALE 3.48287588 DEL 0.00000578 RSCALE 3.48285119 DEL -0.00000002 RSCALE 3.48285093 DEL -0.00000001 RSCALE 3.48285093 CNORM= 1.01183E+00 0.0500 1.090E-06 X 0.1000 2.674E-05 X 0.1500 1.569E-04 X 0.2000 5.140E-04 X 0.2500 1.227E-03 X 0.3000 2.401E-03 IX 0.3500 4.101E-03 IX 0.4000 6.348E-03 I X 0.4500 9.121E-03 I X 0.5000 1.236E-02 I X 0.5500 1.599E-02 I X 0.6000 1.991E-02 I X 0.6500 2.402E-02 I X 0.7000 2.821E-02 I X 0.7500 3.238E-02 I X 0.8000 3.643E-02 I X 0.8500 4.028E-02 I X 0.9000 4.387E-02 I X 0.9500 4.712E-02 I X 1.0000 5.000E-02 I X 1.1000 5.451E-02 I X 1.2000 5.722E-02 I X 1.3000 5.813E-02 I X 1.4000 5.731E-02 I X 1.5000 5.491E-02 I X 1.6000 5.112E-02 I X 1.7000 4.615E-02 I X 1.8000 4.020E-02 I X 1.9000 3.348E-02 I X 2.0000 2.618E-02 I X 2.1000 1.846E-02 I X 2.2000 1.048E-02 I X 2.3000 2.358E-03 IX 2.4000 -5.793E-03 X I 2.5000 -1.388E-02 X I 2.6000 -2.184E-02 X I 2.7000 -2.960E-02 X I 2.8000 -3.712E-02 X I 2.9000 -4.437E-02 X I 3.0000 -5.131E-02 X I 3.1000 -5.794E-02 X I 3.2000 -6.424E-02 X I 3.3000 -7.020E-02 X I 3.4000 -7.582E-02 X I 3.5000 -8.111E-02 X I 3.6000 -8.606E-02 X I 3.7000 -9.069E-02 X I 3.8000 -9.499E-02 X I 3.9000 -9.898E-02 X I 4.0000 -1.027E-01 X I 4.1000 -1.061E-01 X I 4.2000 -1.092E-01 X I 4.3000 -1.120E-01 X I 4.4000 -1.146E-01 X I 4.5000 -1.169E-01 X I 4.6000 -1.190E-01 X I 4.7000 -1.209E-01 X I 4.8000 -1.225E-01 X I 4.9000 -1.239E-01 X I 5.0000 -1.250E-01 X I 5.2000 -1.268E-01 X I 5.4000 -1.277E-01 X I 5.6000 -1.280E-01 X I 5.8000 -1.275E-01 X I 6.0000 -1.263E-01 X I 6.2000 -1.245E-01 X I 6.4000 -1.221E-01 X I 6.6000 -1.190E-01 X I 6.8000 -1.154E-01 X I 7.0000 -1.112E-01 X I 7.2000 -1.065E-01 X I 7.4000 -1.013E-01 X I 7.6000 -9.559E-02 X I 7.8000 -8.940E-02 X I 8.0000 -8.277E-02 X I 8.2000 -7.573E-02 X I 8.4000 -6.831E-02 X I 8.6000 -6.055E-02 X I 8.8000 -5.247E-02 X I 9.0000 -4.413E-02 X I 9.2000 -3.555E-02 X I 9.4000 -2.679E-02 X I 9.6000 -1.790E-02 X I 9.8000 -8.902E-03 X I 10.0000 1.383E-04 X 10.2500 1.143E-02 I X 10.5000 2.263E-02 I X 10.7500 3.365E-02 I X 11.0000 4.439E-02 I X 11.2500 5.476E-02 I X 11.5000 6.470E-02 I X 11.7500 7.412E-02 I X 12.0000 8.294E-02 I X 12.2500 9.111E-02 I X 12.5000 9.858E-02 I X 12.7500 1.053E-01 I X 13.0000 1.112E-01 I X 13.2500 1.162E-01 I X 13.5000 1.204E-01 I X 13.7500 1.237E-01 I X 14.0000 1.261E-01 I X 14.2500 1.275E-01 I X 14.5000 1.281E-01 I X 14.7500 1.278E-01 I X 15.0000 1.266E-01 I X 15.5000 1.215E-01 I X 16.0000 1.133E-01 I X 16.5000 1.021E-01 I X 17.0000 8.835E-02 I X 17.5000 7.243E-02 I X 18.0000 5.479E-02 I X 18.5000 3.588E-02 I X 19.0000 1.617E-02 I X 19.5000 -3.890E-03 XI 20.0000 -2.387E-02 X I 20.5000 -4.337E-02 X I 21.0000 -6.201E-02 X I 21.5000 -7.946E-02 X I 22.0000 -9.543E-02 X I 22.5000 -1.097E-01 X I 23.0000 -1.220E-01 X I 23.5000 -1.323E-01 X I 24.0000 -1.403E-01 X I 24.5000 -1.462E-01 X I 25.0000 -1.498E-01 X I 25.5000 -1.511E-01 X I 26.0000 -1.503E-01 X I 26.5000 -1.474E-01 X I 27.0000 -1.424E-01 X I 27.5000 -1.356E-01 X I 28.0000 -1.271E-01 X I 28.5000 -1.169E-01 X I 29.0000 -1.055E-01 X I 29.5000 -9.275E-02 X I 30.0000 -7.901E-02 X I 31.0000 -4.917E-02 X I 32.0000 -1.734E-02 X I 33.0000 1.514E-02 I X 34.0000 4.712E-02 I X 35.0000 7.759E-02 I X 36.0000 1.058E-01 I X 37.0000 1.310E-01 I X 38.0000 1.530E-01 I X 39.0000 1.714E-01 I X 40.0000 1.862E-01 I X 41.0000 1.974E-01 I X 42.0000 2.051E-01 I X 43.0000 2.096E-01 I X 44.0000 2.111E-01 I X 45.0000 2.100E-01 I X 46.0000 2.066E-01 I X 47.0000 2.013E-01 I X 48.0000 1.944E-01 I X 49.0000 1.862E-01 I X 50.0000 1.770E-01 I X 52.0000 1.569E-01 I X 54.0000 1.358E-01 I X 56.0000 1.152E-01 I X 58.0000 9.601E-02 I X 60.0000 7.872E-02 I X 62.0000 6.362E-02 I X 64.0000 5.075E-02 I X 66.0000 4.001E-02 I X 68.0000 3.119E-02 I X 70.0000 2.408E-02 I X 72.0000 1.842E-02 I X 74.0000 1.396E-02 I X 76.0000 1.050E-02 I X 78.0000 7.842E-03 I X 80.0000 5.814E-03 I X 82.0000 4.283E-03 IX 84.0000 3.135E-03 IX 86.0000 2.282E-03 IX 0.0 0.0 0.0 0.0 r d8 7i d8 7i 148905.6 131905.6 FIXEDHF 17000.0 53 28.01 CONFIG=d8 7i d8 L=6 ELIM= 161648.800 N= 7 E= 148905.600 E= -0.11612459 Z=2.0000 L=6.0000 STEP=-.0500 NUM= 12000 NSAVE=12000 IRREG=0 IFITER=99 NNODES= 0 NUMR 11623 NUMS 11623 NUML 11855 RS 18.909 RL 7.350 RMAX -1.00000000 RMIN 6.00000000 RSCALE 6.18000000 DEL -0.66132070 RSCALE 6.18000000 DEL -9.80177537 RSCALE 6.24057719 DEL -0.66132070 RSCALE 6.18000000 DEL -0.49770802 RSCALE 6.17561718 DEL -0.08874979 RSCALE 6.16228470 DEL -0.01409776 RSCALE 6.15939136 DEL -0.00047262 RSCALE 6.15884496 DEL -0.00000260 RSCALE 6.15882601 DEL 0.00000000 RSCALE 6.15882590 CNORM= 1.16797E+01 0.0500 4.789E-10 X 0.1000 5.054E-08 X 0.1500 7.146E-07 X 0.2000 4.446E-06 X 0.2500 1.766E-05 X 0.3000 5.289E-05 X 0.3500 1.304E-04 X 0.4000 2.792E-04 X 0.4500 5.365E-04 X 0.5000 9.477E-04 X 0.5500 1.564E-03 X 0.6000 2.441E-03 X 0.6500 3.636E-03 X 0.7000 5.208E-03 IX 0.7500 7.211E-03 IX 0.8000 9.698E-03 IX 0.8500 1.271E-02 IX 0.9000 1.630E-02 I X 0.9500 2.049E-02 I X 1.0000 2.530E-02 I X 1.1000 3.685E-02 I X 1.2000 5.097E-02 I X 1.3000 6.756E-02 I X 1.4000 8.642E-02 I X 1.5000 1.072E-01 I X 1.6000 1.297E-01 I X 1.7000 1.534E-01 I X 1.8000 1.779E-01 I X 1.9000 2.029E-01 I X 2.0000 2.279E-01 I X 2.1000 2.527E-01 I X 2.2000 2.770E-01 I X 2.3000 3.004E-01 I X 2.4000 3.227E-01 I X 2.5000 3.438E-01 I X 2.6000 3.635E-01 I X 2.7000 3.817E-01 I X 2.8000 3.984E-01 I X 2.9000 4.134E-01 I X 3.0000 4.268E-01 I X 3.1000 4.386E-01 I X 3.2000 4.487E-01 I X 3.3000 4.573E-01 I X 3.4000 4.645E-01 I X 3.5000 4.701E-01 I X 3.6000 4.744E-01 I X 3.7000 4.774E-01 I X 3.8000 4.792E-01 I X 3.9000 4.799E-01 I X 4.0000 4.795E-01 I X 4.1000 4.781E-01 I X 4.2000 4.759E-01 I X 4.3000 4.729E-01 I X 4.4000 4.691E-01 I X 4.5000 4.647E-01 I X 4.6000 4.597E-01 I X 4.7000 4.542E-01 I X 4.8000 4.483E-01 I X 4.9000 4.419E-01 I X 5.0000 4.352E-01 I X 5.2000 4.210E-01 I X 5.4000 4.060E-01 I X 5.6000 3.905E-01 I X 5.8000 3.747E-01 I X 6.0000 3.589E-01 I X 6.2000 3.432E-01 I X 6.4000 3.277E-01 I X 6.6000 3.127E-01 I X 6.8000 2.980E-01 I X 7.0000 2.839E-01 I X 7.2000 2.703E-01 I X 7.4000 2.572E-01 I X 7.6000 2.447E-01 I X 7.8000 2.328E-01 I X 8.0000 2.215E-01 I X 8.2000 2.108E-01 I X 8.4000 2.006E-01 I X 8.6000 1.909E-01 I X 8.8000 1.818E-01 I X 9.0000 1.731E-01 I X 9.2000 1.650E-01 I X 9.4000 1.573E-01 I X 9.6000 1.500E-01 I X 9.8000 1.431E-01 I X 10.0000 1.366E-01 I X 10.2500 1.290E-01 I X 10.5000 1.220E-01 I X 10.7500 1.154E-01 I X 11.0000 1.093E-01 I X 11.2500 1.036E-01 I X 11.5000 9.833E-02 I X 11.7500 9.339E-02 I X 12.0000 8.879E-02 I X 12.2500 8.450E-02 I X 12.5000 8.049E-02 I X 12.7500 7.673E-02 I X 13.0000 7.322E-02 I X 13.2500 6.993E-02 I X 13.5000 6.684E-02 I X 13.7500 6.394E-02 I X 14.0000 6.120E-02 I X 14.2500 5.863E-02 I X 14.5000 5.620E-02 I X 14.7500 5.391E-02 I X 15.0000 5.174E-02 I X 15.5000 4.773E-02 I X 16.0000 4.412E-02 I X 16.5000 4.083E-02 I X 17.0000 3.783E-02 I X 17.5000 3.508E-02 I X 18.0000 3.255E-02 I X 18.5000 3.021E-02 I X 19.0000 2.804E-02 I X 19.5000 2.602E-02 I X 20.0000 2.415E-02 I X 20.5000 2.240E-02 I X 21.0000 2.077E-02 I X 21.5000 1.924E-02 I X 22.0000 1.782E-02 I X 22.5000 1.649E-02 I X 23.0000 1.525E-02 I X 23.5000 1.409E-02 I X 24.0000 1.301E-02 IX 24.5000 1.201E-02 IX 25.0000 1.107E-02 IX 25.5000 1.019E-02 IX 26.0000 9.380E-03 IX 26.5000 8.623E-03 IX 27.0000 7.921E-03 IX 27.5000 7.269E-03 IX 28.0000 6.665E-03 IX 28.5000 6.106E-03 IX 29.0000 5.588E-03 IX 29.5000 5.110E-03 IX 6.0 0.0 0.0 0.0 s d8 8i d8 8i 151005.7 134005.7 FIXEDHF 17000.0 54 28.01 CONFIG=d8 8i d8 L=6 ELIM= 161648.800 N= 8 E= 151005.700 E= -0.09698707 Z=2.0000 L=6.0000 STEP=-.0500 NUM= 13300 NSAVE=13300 IRREG=0 IFITER=99 NNODES= 1 NUMR 12761 NUMS 12761 NUML 13196 RS 27.013 RL 5.250 RMAX -1.00000000 RMIN 6.00000000 RSCALE 6.18000000 RMAX -1.00000000 RMIN 6.18000000 RSCALE 6.36540000 RMAX -1.00000000 RMIN 6.36540000 RSCALE 6.55636200 DEL -70.95043346 RSCALE 6.55636200 DEL -20.76333613 RSCALE 6.62062834 DEL -14.63005977 RSCALE 6.64721652 DEL -7.40245588 RSCALE 6.71063885 DEL -4.12378238 RSCALE 6.77559551 DEL -2.35082650 RSCALE 6.84201080 DEL -1.29039543 RSCALE 6.90907711 DEL -0.60384278 RSCALE 6.97680081 DEL -0.18545767 RSCALE 7.03636575 DEL -0.03780153 RSCALE 7.06276911 DEL -0.00301674 RSCALE 7.06952865 DEL -0.00005389 RSCALE 7.07011488 DEL -0.00000008 RSCALE 7.07012554 DEL 0.00000000 RSCALE 7.07012556 CNORM= 2.57283E+00 0.0500 5.140E-10 X 0.1000 5.417E-08 X 0.1500 7.644E-07 X 0.2000 4.743E-06 X 0.2500 1.878E-05 X 0.3000 5.602E-05 X 0.3500 1.375E-04 X 0.4000 2.928E-04 X 0.4500 5.596E-04 X 0.5000 9.823E-04 X 0.5500 1.610E-03 X 0.6000 2.495E-03 X 0.6500 3.689E-03 IX 0.7000 5.240E-03 IX 0.7500 7.193E-03 IX 0.8000 9.585E-03 I X 0.8500 1.245E-02 I X 0.9000 1.580E-02 I X 0.9500 1.964E-02 I X 1.0000 2.399E-02 I X 1.1000 3.413E-02 I X 1.2000 4.603E-02 I X 1.3000 5.936E-02 I X 1.4000 7.373E-02 I X 1.5000 8.866E-02 I X 1.6000 1.037E-01 I X 1.7000 1.183E-01 I X 1.8000 1.320E-01 I X 1.9000 1.445E-01 I X 2.0000 1.554E-01 I X 2.1000 1.645E-01 I X 2.2000 1.715E-01 I X 2.3000 1.763E-01 I X 2.4000 1.789E-01 I X 2.5000 1.792E-01 I X 2.6000 1.772E-01 I X 2.7000 1.731E-01 I X 2.8000 1.670E-01 I X 2.9000 1.589E-01 I X 3.0000 1.491E-01 I X 3.1000 1.377E-01 I X 3.2000 1.250E-01 I X 3.3000 1.110E-01 I X 3.4000 9.603E-02 I X 3.5000 8.020E-02 I X 3.6000 6.369E-02 I X 3.7000 4.668E-02 I X 3.8000 2.931E-02 I X 3.9000 1.173E-02 I X 4.0000 -5.926E-03 XI 4.1000 -2.355E-02 X I 4.2000 -4.103E-02 X I 4.3000 -5.827E-02 X I 4.4000 -7.519E-02 X I 4.5000 -9.171E-02 X I 4.6000 -1.078E-01 X I 4.7000 -1.233E-01 X I 4.8000 -1.384E-01 X I 4.9000 -1.528E-01 X I 5.0000 -1.666E-01 X I 5.2000 -1.923E-01 X I 5.4000 -2.154E-01 X I 5.6000 -2.359E-01 X I 5.8000 -2.539E-01 X I 6.0000 -2.694E-01 X I 6.2000 -2.825E-01 X I 6.4000 -2.935E-01 X I 6.6000 -3.025E-01 X I 6.8000 -3.096E-01 X I 7.0000 -3.151E-01 X I 7.2000 -3.190E-01 X I 7.4000 -3.217E-01 X I 7.6000 -3.231E-01 X I 7.8000 -3.235E-01 X I 8.0000 -3.230E-01 X I 8.2000 -3.217E-01 X I 8.4000 -3.198E-01 X I 8.6000 -3.172E-01 X I 8.8000 -3.142E-01 X I 9.0000 -3.108E-01 X I 9.2000 -3.070E-01 X I 9.4000 -3.030E-01 X I 9.6000 -2.987E-01 X I 9.8000 -2.943E-01 X I 10.0000 -2.898E-01 X I 10.2500 -2.841E-01 X I 10.5000 -2.783E-01 X I 10.7500 -2.724E-01 X I 11.0000 -2.667E-01 X I 11.2500 -2.609E-01 X I 11.5000 -2.553E-01 X I 11.7500 -2.498E-01 X I 12.0000 -2.444E-01 X I 12.2500 -2.391E-01 X I 12.5000 -2.340E-01 X I 12.7500 -2.291E-01 X I 13.0000 -2.243E-01 X I 13.2500 -2.197E-01 X I 13.5000 -2.152E-01 X I 13.7500 -2.109E-01 X I 14.0000 -2.067E-01 X I 14.2500 -2.027E-01 X I 14.5000 -1.988E-01 X I 14.7500 -1.950E-01 X I 15.0000 -1.913E-01 X I 15.5000 -1.844E-01 X I 16.0000 -1.778E-01 X I 16.5000 -1.716E-01 X I 17.0000 -1.658E-01 X I 17.5000 -1.601E-01 X I 18.0000 -1.547E-01 X I 18.5000 -1.494E-01 X I 19.0000 -1.442E-01 X I 19.5000 -1.392E-01 X I 20.0000 -1.342E-01 X I 20.5000 -1.293E-01 X I 21.0000 -1.244E-01 X I 21.5000 -1.196E-01 X I 22.0000 -1.149E-01 X I 22.5000 -1.102E-01 X I 23.0000 -1.056E-01 X I 23.5000 -1.011E-01 X I 24.0000 -9.657E-02 X I 24.5000 -9.216E-02 X I 25.0000 -8.784E-02 X I 25.5000 -8.361E-02 X I 26.0000 -7.948E-02 X I 26.5000 -7.545E-02 X I 27.0000 -7.154E-02 X I 27.5000 -6.774E-02 X I 28.0000 -6.405E-02 X I 28.5000 -6.050E-02 X I 29.0000 -5.706E-02 X I 29.5000 -5.376E-02 X I 30.0000 -5.059E-02 X I 31.0000 -4.463E-02 X I 32.0000 -3.920E-02 X I 33.0000 -3.427E-02 X I 34.0000 -2.983E-02 X I 35.0000 -2.586E-02 X I 36.0000 -2.233E-02 X I 37.0000 -1.921E-02 X I 38.0000 -1.647E-02 X I 39.0000 -1.406E-02 X I 40.0000 -1.197E-02 X I 41.0000 -1.016E-02 X I 42.0000 -8.591E-03 XI 43.0000 -7.244E-03 XI 44.0000 -6.091E-03 XI 45.0000 -5.107E-03 XI 46.0000 -4.271E-03 XI 47.0000 -3.562E-03 XI 6.0 0.0 0.0 0.0 t d8 9i d8 9i 152445.0 135445.0 FIXEDHF 17000.0 55 28.01 CONFIG=d8 9i d8 L=6 ELIM= 161648.800 N= 9 E= 152445.000 E= -0.08387120 Z=2.0000 L=6.0000 STEP=-.0500 NUM= 14500 NSAVE=14500 IRREG=0 IFITER=99 NNODES= 2 NUMR 13961 NUMS 13961 NUML 14396 RS 27.013 RL 5.250 RMAX -1.00000000 RMIN 6.00000000 RSCALE 6.18000000 RMAX -1.00000000 RMIN 6.18000000 RSCALE 6.36540000 RMAX -1.00000000 RMIN 6.36540000 RSCALE 6.55636200 RMAX -1.00000000 RMIN 6.55636200 RSCALE 6.75305286 RMAX -1.00000000 RMIN 6.75305286 RSCALE 6.95564445 RMAX -1.00000000 RMIN 6.95564445 RSCALE 7.16431378 RMAX -1.00000000 RMIN 7.16431378 RSCALE 7.37924319 RMAX -1.00000000 RMIN 7.37924319 RSCALE 7.60062049 DEL 0.26428904 RSCALE 7.60062049 DEL -11.01570004 RSCALE 7.52684138 DEL 0.23187508 RSCALE 7.59889185 DEL 0.20292831 RSCALE 7.59740649 DEL -0.03392052 RSCALE 7.58699352 DEL 0.00417163 RSCALE 7.58848482 DEL 0.00007665 RSCALE 7.58832150 DEL -0.00000018 RSCALE 7.58831845 DEL 0.00000000 RSCALE 7.58831845 CNORM= 1.08405E+00 0.0500 1.874E-10 X 0.1000 1.974E-08 X 0.1500 2.783E-07 X 0.2000 1.724E-06 X 0.2500 6.817E-06 X 0.3000 2.029E-05 X 0.3500 4.971E-05 X 0.4000 1.056E-04 X 0.4500 2.012E-04 X 0.5000 3.522E-04 X 0.5500 5.755E-04 X 0.6000 8.886E-04 X 0.6500 1.309E-03 X 0.7000 1.851E-03 X 0.7500 2.531E-03 IX 0.8000 3.357E-03 IX 0.8500 4.338E-03 IX 0.9000 5.477E-03 IX 0.9500 6.775E-03 I X 1.0000 8.228E-03 I X 1.1000 1.156E-02 I X 1.2000 1.539E-02 I X 1.3000 1.956E-02 I X 1.4000 2.392E-02 I X 1.5000 2.827E-02 I X 1.6000 3.245E-02 I X 1.7000 3.627E-02 I X 1.8000 3.960E-02 I X 1.9000 4.231E-02 I X 2.0000 4.431E-02 I X 2.1000 4.553E-02 I X 2.2000 4.594E-02 I X 2.3000 4.553E-02 I X 2.4000 4.432E-02 I X 2.5000 4.234E-02 I X 2.6000 3.964E-02 I X 2.7000 3.629E-02 I X 2.8000 3.237E-02 I X 2.9000 2.795E-02 I X 3.0000 2.312E-02 I X 3.1000 1.796E-02 I X 3.2000 1.256E-02 I X 3.3000 6.992E-03 I X 3.4000 1.339E-03 X 3.5000 -4.329E-03 XI 3.6000 -9.949E-03 X I 3.7000 -1.546E-02 X I 3.8000 -2.082E-02 X I 3.9000 -2.597E-02 X I 4.0000 -3.087E-02 X I 4.1000 -3.550E-02 X I 4.2000 -3.983E-02 X I 4.3000 -4.384E-02 X I 4.4000 -4.750E-02 X I 4.5000 -5.081E-02 X I 4.6000 -5.377E-02 X I 4.7000 -5.637E-02 X I 4.8000 -5.860E-02 X I 4.9000 -6.048E-02 X I 5.0000 -6.200E-02 X I 5.2000 -6.403E-02 X I 5.4000 -6.476E-02 X I 5.6000 -6.431E-02 X I 5.8000 -6.278E-02 X I 6.0000 -6.029E-02 X I 6.2000 -5.697E-02 X I 6.4000 -5.293E-02 X I 6.6000 -4.828E-02 X I 6.8000 -4.312E-02 X I 7.0000 -3.756E-02 X I 7.2000 -3.166E-02 X I 7.4000 -2.551E-02 X I 7.6000 -1.918E-02 X I 7.8000 -1.272E-02 X I 8.0000 -6.178E-03 XI 8.2000 3.946E-04 X 8.4000 6.966E-03 I X 8.6000 1.351E-02 I X 8.8000 1.999E-02 I X 9.0000 2.640E-02 I X 9.2000 3.271E-02 I X 9.4000 3.893E-02 I X 9.6000 4.503E-02 I X 9.8000 5.101E-02 I X 10.0000 5.687E-02 I X 10.2500 6.402E-02 I X 10.5000 7.097E-02 I X 10.7500 7.773E-02 I X 11.0000 8.429E-02 I X 11.2500 9.068E-02 I X 11.5000 9.688E-02 I X 11.7500 1.029E-01 I X 12.0000 1.088E-01 I X 12.2500 1.145E-01 I X 12.5000 1.201E-01 I X 12.7500 1.255E-01 I X 13.0000 1.308E-01 I X 13.2500 1.359E-01 I X 13.5000 1.410E-01 I X 13.7500 1.459E-01 I X 14.0000 1.507E-01 I X 14.2500 1.554E-01 I X 14.5000 1.600E-01 I X 14.7500 1.644E-01 I X 15.0000 1.688E-01 I X 15.5000 1.772E-01 I X 16.0000 1.852E-01 I X 16.5000 1.928E-01 I X 17.0000 1.999E-01 I X 17.5000 2.066E-01 I X 18.0000 2.127E-01 I X 18.5000 2.183E-01 I X 19.0000 2.234E-01 I X 19.5000 2.278E-01 I X 20.0000 2.317E-01 I X 20.5000 2.349E-01 I X 21.0000 2.374E-01 I X 21.5000 2.392E-01 I X 22.0000 2.404E-01 I X 22.5000 2.409E-01 I X 23.0000 2.408E-01 I X 23.5000 2.400E-01 I X 24.0000 2.386E-01 I X 24.5000 2.366E-01 I X 25.0000 2.340E-01 I X 25.5000 2.309E-01 I X 26.0000 2.273E-01 I X 26.5000 2.233E-01 I X 27.0000 2.189E-01 I X 27.5000 2.141E-01 I X 28.0000 2.090E-01 I X 28.5000 2.036E-01 I X 29.0000 1.980E-01 I X 29.5000 1.922E-01 I X 30.0000 1.862E-01 I X 31.0000 1.738E-01 I X 32.0000 1.612E-01 I X 33.0000 1.486E-01 I X 34.0000 1.361E-01 I X 35.0000 1.240E-01 I X 36.0000 1.123E-01 I X 37.0000 1.013E-01 I X 38.0000 9.089E-02 I X 39.0000 8.118E-02 I X 40.0000 7.219E-02 I X 41.0000 6.393E-02 I X 42.0000 5.640E-02 I X 43.0000 4.956E-02 I X 44.0000 4.340E-02 I X 45.0000 3.787E-02 I X 46.0000 3.294E-02 I X 47.0000 2.855E-02 I X 48.0000 2.468E-02 I X 49.0000 2.127E-02 I X 50.0000 1.828E-02 I X 52.0000 1.340E-02 I X 54.0000 9.718E-03 I X 56.0000 6.985E-03 I X 58.0000 4.978E-03 IX 60.0000 3.519E-03 IX 62.0000 2.469E-03 IX 0.0 0.0 0.0 0.0 u d7 4s7i d7 4s 7i 218276.9 191276.9 FIXEDHF 27000.0 56 28.01 CONFIG=d7 4s7i d7 4s L=6 ELIM= 229263.300 N= 7 E= 218276.900 E= -0.10011545 Z=2.0000 L=6.0000 STEP=-.0500 NUM= 13100 NSAVE=13100 IRREG=0 IFITER=99 NNODES= 0 NUMR 12723 NUMS 12723 NUML 12955 RS 18.909 RL 7.350 RMAX -1.00000000 RMIN 6.00000000 RSCALE 6.18000000 DEL -3.09530924 RSCALE 6.18000000 RMAX 6.24057719 RMIN 6.00000000 RSCALE 6.18000000 DEL -3.09530924 RSCALE 6.18000000 DEL -0.00827795 RSCALE 6.12001083 DEL -0.00436490 RSCALE 6.11984997 DEL -0.00001313 RSCALE 6.11967053 DEL -0.00000002 RSCALE 6.11966999 DEL 0.00000000 RSCALE 6.11966999 CNORM= 6.79294E+00 0.0500 4.328E-10 X 0.1000 4.567E-08 X 0.1500 6.458E-07 X 0.2000 4.019E-06 X 0.2500 1.597E-05 X 0.3000 4.783E-05 X 0.3500 1.180E-04 X 0.4000 2.525E-04 X 0.4500 4.855E-04 X 0.5000 8.577E-04 X 0.5500 1.416E-03 X 0.6000 2.210E-03 X 0.6500 3.294E-03 X 0.7000 4.719E-03 IX 0.7500 6.537E-03 IX 0.8000 8.795E-03 IX 0.8500 1.153E-02 IX 0.9000 1.479E-02 I X 0.9500 1.860E-02 I X 1.0000 2.298E-02 I X 1.1000 3.350E-02 I X 1.2000 4.638E-02 I X 1.3000 6.154E-02 I X 1.4000 7.880E-02 I X 1.5000 9.789E-02 I X 1.6000 1.185E-01 I X 1.7000 1.403E-01 I X 1.8000 1.630E-01 I X 1.9000 1.861E-01 I X 2.0000 2.093E-01 I X 2.1000 2.324E-01 I X 2.2000 2.551E-01 I X 2.3000 2.770E-01 I X 2.4000 2.980E-01 I X 2.5000 3.180E-01 I X 2.6000 3.367E-01 I X 2.7000 3.541E-01 I X 2.8000 3.702E-01 I X 2.9000 3.848E-01 I X 3.0000 3.979E-01 I X 3.1000 4.095E-01 I X 3.2000 4.198E-01 I X 3.3000 4.286E-01 I X 3.4000 4.360E-01 I X 3.5000 4.421E-01 I X 3.6000 4.470E-01 I X 3.7000 4.506E-01 I X 3.8000 4.532E-01 I X 3.9000 4.547E-01 I X 4.0000 4.552E-01 I X 4.1000 4.549E-01 I X 4.2000 4.537E-01 I X 4.3000 4.517E-01 I X 4.4000 4.491E-01 I X 4.5000 4.458E-01 I X 4.6000 4.420E-01 I X 4.7000 4.377E-01 I X 4.8000 4.329E-01 I X 4.9000 4.278E-01 I X 5.0000 4.223E-01 I X 5.2000 4.104E-01 I X 5.4000 3.977E-01 I X 5.6000 3.844E-01 I X 5.8000 3.708E-01 I X 6.0000 3.571E-01 I X 6.2000 3.433E-01 I X 6.4000 3.297E-01 I X 6.6000 3.164E-01 I X 6.8000 3.034E-01 I X 7.0000 2.908E-01 I X 7.2000 2.786E-01 I X 7.4000 2.669E-01 I X 7.6000 2.557E-01 I X 7.8000 2.449E-01 I X 8.0000 2.347E-01 I X 8.2000 2.249E-01 I X 8.4000 2.157E-01 I X 8.6000 2.069E-01 I X 8.8000 1.985E-01 I X 9.0000 1.906E-01 I X 9.2000 1.831E-01 I X 9.4000 1.761E-01 I X 9.6000 1.694E-01 I X 9.8000 1.631E-01 I X 10.0000 1.571E-01 I X 10.2500 1.502E-01 I X 10.5000 1.437E-01 I X 10.7500 1.376E-01 I X 11.0000 1.320E-01 I X 11.2500 1.268E-01 I X 11.5000 1.220E-01 I X 11.7500 1.174E-01 I X 12.0000 1.132E-01 I X 12.2500 1.093E-01 I X 12.5000 1.056E-01 I X 12.7500 1.022E-01 I X 13.0000 9.895E-02 I X 13.2500 9.594E-02 I X 13.5000 9.311E-02 I X 13.7500 9.045E-02 I X 14.0000 8.795E-02 I X 14.2500 8.559E-02 I X 14.5000 8.335E-02 I X 14.7500 8.124E-02 I X 15.0000 7.923E-02 I X 15.5000 7.548E-02 I X 16.0000 7.205E-02 I X 16.5000 6.888E-02 I X 17.0000 6.591E-02 I X 17.5000 6.311E-02 I X 18.0000 6.045E-02 I X 18.5000 5.790E-02 I X 19.0000 5.545E-02 I X 19.5000 5.308E-02 I X 20.0000 5.078E-02 I X 20.5000 4.855E-02 I X 21.0000 4.638E-02 I X 21.5000 4.426E-02 I X 22.0000 4.220E-02 I X 22.5000 4.019E-02 I X 23.0000 3.824E-02 I X 23.5000 3.634E-02 I X 24.0000 3.449E-02 I X 24.5000 3.270E-02 I X 25.0000 3.097E-02 I X 25.5000 2.929E-02 I X 26.0000 2.767E-02 I X 26.5000 2.611E-02 I X 27.0000 2.460E-02 I X 27.5000 2.315E-02 I X 28.0000 2.177E-02 I X 28.5000 2.044E-02 I X 29.0000 1.917E-02 I X 29.5000 1.796E-02 I X 30.0000 1.681E-02 I X 31.0000 1.467E-02 I X 32.0000 1.275E-02 I X 33.0000 1.103E-02 IX 34.0000 9.505E-03 IX 35.0000 8.159E-03 IX 36.0000 6.978E-03 IX 37.0000 5.946E-03 IX 38.0000 5.049E-03 IX 6.0 0.0 0.0 0.0 v d7 4s8i d7 4s 8i 220376.8 193376.8 FIXEDHF 27000.0 57 28.01 CONFIG=d7 4s8i d7 4s L=6 ELIM= 229263.300 N= 8 E= 220376.800 E= -0.08097975 Z=2.0000 L=6.0000 STEP=-.0500 NUM= 14800 NSAVE=14800 IRREG=0 IFITER=99 NNODES= 1 NUMR 14261 NUMS 14261 NUML 14696 RS 27.013 RL 5.250 DEL 0.93462476 RSCALE 6.00000000 RMAX -1.00000000 RMIN 5.94175809 RSCALE 5.97087905 RMAX -1.00000000 RMIN 5.97087905 RSCALE 5.98543952 RMAX -1.00000000 RMIN 5.98543952 RSCALE 5.99271976 DEL 0.97971146 RSCALE 5.99271976 DEL 0.54787544 RSCALE 6.05146120 DEL -0.10868580 RSCALE 6.11077844 DEL 0.02091598 RSCALE 6.10095918 DEL 0.00065699 RSCALE 6.10254388 DEL -0.00000412 RSCALE 6.10259527 DEL 0.00000000 RSCALE 6.10259495 CNORM= 1.02611E+00 0.0500 1.322E-10 X 0.1000 1.396E-08 X 0.1500 1.973E-07 X 0.2000 1.228E-06 X 0.2500 4.880E-06 X 0.3000 1.462E-05 X 0.3500 3.605E-05 X 0.4000 7.718E-05 X 0.4500 1.484E-04 X 0.5000 2.622E-04 X 0.5500 4.329E-04 X 0.6000 6.759E-04 X 0.6500 1.007E-03 X 0.7000 1.443E-03 X 0.7500 1.999E-03 X 0.8000 2.690E-03 IX 0.8500 3.529E-03 IX 0.9000 4.526E-03 IX 0.9500 5.692E-03 IX 1.0000 7.033E-03 I X 1.1000 1.026E-02 I X 1.2000 1.420E-02 I X 1.3000 1.885E-02 I X 1.4000 2.414E-02 I X 1.5000 3.000E-02 I X 1.6000 3.633E-02 I X 1.7000 4.302E-02 I X 1.8000 4.998E-02 I X 1.9000 5.708E-02 I X 2.0000 6.422E-02 I X 2.1000 7.132E-02 I X 2.2000 7.828E-02 I X 2.3000 8.502E-02 I X 2.4000 9.149E-02 I X 2.5000 9.762E-02 I X 2.6000 1.034E-01 I X 2.7000 1.087E-01 I X 2.8000 1.136E-01 I X 2.9000 1.181E-01 I X 3.0000 1.221E-01 I X 3.1000 1.257E-01 I X 3.2000 1.288E-01 I X 3.3000 1.314E-01 I X 3.4000 1.337E-01 I X 3.5000 1.355E-01 I X 3.6000 1.369E-01 I X 3.7000 1.379E-01 I X 3.8000 1.386E-01 I X 3.9000 1.390E-01 I X 4.0000 1.390E-01 I X 4.1000 1.388E-01 I X 4.2000 1.383E-01 I X 4.3000 1.375E-01 I X 4.4000 1.365E-01 I X 4.5000 1.353E-01 I X 4.6000 1.339E-01 I X 4.7000 1.324E-01 I X 4.8000 1.307E-01 I X 4.9000 1.288E-01 I X 5.0000 1.269E-01 I X 5.2000 1.226E-01 I X 5.4000 1.181E-01 I X 5.6000 1.133E-01 I X 5.8000 1.084E-01 I X 6.0000 1.033E-01 I X 6.2000 9.818E-02 I X 6.4000 9.305E-02 I X 6.6000 8.792E-02 I X 6.8000 8.284E-02 I X 7.0000 7.780E-02 I X 7.2000 7.283E-02 I X 7.4000 6.794E-02 I X 7.6000 6.312E-02 I X 7.8000 5.837E-02 I X 8.0000 5.371E-02 I X 8.2000 4.912E-02 I X 8.4000 4.461E-02 I X 8.6000 4.015E-02 I X 8.8000 3.576E-02 I X 9.0000 3.143E-02 I X 9.2000 2.714E-02 I X 9.4000 2.290E-02 I X 9.6000 1.868E-02 I X 9.8000 1.450E-02 I X 10.0000 1.033E-02 I X 10.2500 5.147E-03 IX 10.5000 -2.749E-05 X 10.7500 -5.202E-03 XI 11.0000 -1.039E-02 X I 11.2500 -1.559E-02 X I 11.5000 -2.082E-02 X I 11.7500 -2.608E-02 X I 12.0000 -3.138E-02 X I 12.2500 -3.672E-02 X I 12.5000 -4.211E-02 X I 12.7500 -4.754E-02 X I 13.0000 -5.302E-02 X I 13.2500 -5.854E-02 X I 13.5000 -6.411E-02 X I 13.7500 -6.972E-02 X I 14.0000 -7.536E-02 X I 14.2500 -8.104E-02 X I 14.5000 -8.674E-02 X I 14.7500 -9.246E-02 X I 15.0000 -9.818E-02 X I 15.5000 -1.096E-01 X I 16.0000 -1.210E-01 X I 16.5000 -1.322E-01 X I 17.0000 -1.432E-01 X I 17.5000 -1.539E-01 X I 18.0000 -1.642E-01 X I 18.5000 -1.740E-01 X I 19.0000 -1.832E-01 X I 19.5000 -1.919E-01 X I 20.0000 -1.999E-01 X I 20.5000 -2.072E-01 X I 21.0000 -2.137E-01 X I 21.5000 -2.195E-01 X I 22.0000 -2.245E-01 X I 22.5000 -2.287E-01 X I 23.0000 -2.322E-01 X I 23.5000 -2.348E-01 X I 24.0000 -2.367E-01 X I 24.5000 -2.378E-01 X I 25.0000 -2.382E-01 X I 25.5000 -2.379E-01 X I 26.0000 -2.369E-01 X I 26.5000 -2.353E-01 X I 27.0000 -2.331E-01 X I 27.5000 -2.303E-01 X I 28.0000 -2.270E-01 X I 28.5000 -2.233E-01 X I 29.0000 -2.191E-01 X I 29.5000 -2.145E-01 X I 30.0000 -2.096E-01 X I 31.0000 -1.989E-01 X I 32.0000 -1.874E-01 X I 33.0000 -1.753E-01 X I 34.0000 -1.629E-01 X I 35.0000 -1.504E-01 X I 36.0000 -1.381E-01 X I 37.0000 -1.261E-01 X I 38.0000 -1.145E-01 X I 39.0000 -1.035E-01 X I 40.0000 -9.311E-02 X I 41.0000 -8.339E-02 X I 42.0000 -7.437E-02 X I 43.0000 -6.605E-02 X I 44.0000 -5.845E-02 X I 45.0000 -5.152E-02 X I 46.0000 -4.526E-02 X I 47.0000 -3.963E-02 X I 48.0000 -3.459E-02 X I 49.0000 -3.009E-02 X I 50.0000 -2.611E-02 X I 52.0000 -1.948E-02 X I 54.0000 -1.439E-02 X I 56.0000 -1.052E-02 X I 58.0000 -7.626E-03 X I 60.0000 -5.481E-03 XI 62.0000 -3.908E-03 XI 64.0000 -2.767E-03 XI 6.0 0.0 0.0 0.0 w d7 4s9i d7 4s 9i 221816.1 194816.1 FIXEDHF 27000.0 58 28.01 CONFIG=d7 4s9i d7 4s L=6 ELIM= 229263.300 N= 9 E= 221816.100 E= -0.06786388 Z=2.0000 L=6.0000 STEP=-.0500 NUM= 16400 NSAVE=16400 IRREG=0 IFITER=99 NNODES= 2 NUMR 15861 NUMS 15861 NUML 16296 RS 27.013 RL 5.250 RMAX -1.00000000 RMIN 6.00000000 RSCALE 6.18000000 RMAX -1.00000000 RMIN 6.18000000 RSCALE 6.36540000 RMAX -1.00000000 RMIN 6.36540000 RSCALE 6.55636200 DEL -8.70511935 RSCALE 6.55636200 DEL -3.65156545 RSCALE 6.62062834 DEL -2.09084622 RSCALE 6.66706551 DEL -0.91602727 RSCALE 6.72927592 DEL -0.35192021 RSCALE 6.77778248 DEL -0.08967942 RSCALE 6.80804348 DEL -0.01164715 RSCALE 6.81839194 DEL -0.00044569 RSCALE 6.81993656 DEL -0.00000231 RSCALE 6.81999801 DEL 0.00000000 RSCALE 6.81999834 CNORM= 1.11964E+00 0.0500 1.917E-10 X 0.1000 2.021E-08 X 0.1500 2.853E-07 X 0.2000 1.772E-06 X 0.2500 7.020E-06 X 0.3000 2.096E-05 X 0.3500 5.151E-05 X 0.4000 1.098E-04 X 0.4500 2.102E-04 X 0.5000 3.695E-04 X 0.5500 6.067E-04 X 0.6000 9.418E-04 X 0.6500 1.395E-03 X 0.7000 1.985E-03 IX 0.7500 2.731E-03 IX 0.8000 3.648E-03 IX 0.8500 4.747E-03 IX 0.9000 6.040E-03 I X 0.9500 7.531E-03 I X 1.0000 9.222E-03 I X 1.1000 1.320E-02 I X 1.2000 1.791E-02 I X 1.3000 2.325E-02 I X 1.4000 2.909E-02 I X 1.5000 3.525E-02 I X 1.6000 4.156E-02 I X 1.7000 4.784E-02 I X 1.8000 5.392E-02 I X 1.9000 5.964E-02 I X 2.0000 6.486E-02 I X 2.1000 6.947E-02 I X 2.2000 7.337E-02 I X 2.3000 7.650E-02 I X 2.4000 7.881E-02 I X 2.5000 8.027E-02 I X 2.6000 8.089E-02 I X 2.7000 8.066E-02 I X 2.8000 7.962E-02 I X 2.9000 7.780E-02 I X 3.0000 7.525E-02 I X 3.1000 7.201E-02 I X 3.2000 6.814E-02 I X 3.3000 6.370E-02 I X 3.4000 5.876E-02 I X 3.5000 5.337E-02 I X 3.6000 4.759E-02 I X 3.7000 4.148E-02 I X 3.8000 3.510E-02 I X 3.9000 2.850E-02 I X 4.0000 2.173E-02 I X 4.1000 1.483E-02 I X 4.2000 7.862E-03 I X 4.3000 8.497E-04 X 4.4000 -6.167E-03 X I 4.5000 -1.316E-02 X I 4.6000 -2.009E-02 X I 4.7000 -2.694E-02 X I 4.8000 -3.368E-02 X I 4.9000 -4.031E-02 X I 5.0000 -4.679E-02 X I 5.2000 -5.929E-02 X I 5.4000 -7.109E-02 X I 5.6000 -8.214E-02 X I 5.8000 -9.242E-02 X I 6.0000 -1.019E-01 X I 6.2000 -1.106E-01 X I 6.4000 -1.186E-01 X I 6.6000 -1.259E-01 X I 6.8000 -1.325E-01 X I 7.0000 -1.385E-01 X I 7.2000 -1.438E-01 X I 7.4000 -1.486E-01 X I 7.6000 -1.530E-01 X I 7.8000 -1.568E-01 X I 8.0000 -1.602E-01 X I 8.2000 -1.633E-01 X I 8.4000 -1.660E-01 X I 8.6000 -1.683E-01 X I 8.8000 -1.704E-01 X I 9.0000 -1.722E-01 X I 9.2000 -1.738E-01 X I 9.4000 -1.752E-01 X I 9.6000 -1.764E-01 X I 9.8000 -1.774E-01 X I 10.0000 -1.783E-01 X I 10.2500 -1.792E-01 X I 10.5000 -1.799E-01 X I 10.7500 -1.804E-01 X I 11.0000 -1.807E-01 X I 11.2500 -1.809E-01 X I 11.5000 -1.810E-01 X I 11.7500 -1.809E-01 X I 12.0000 -1.806E-01 X I 12.2500 -1.803E-01 X I 12.5000 -1.798E-01 X I 12.7500 -1.792E-01 X I 13.0000 -1.784E-01 X I 13.2500 -1.775E-01 X I 13.5000 -1.765E-01 X I 13.7500 -1.753E-01 X I 14.0000 -1.740E-01 X I 14.2500 -1.725E-01 X I 14.5000 -1.709E-01 X I 14.7500 -1.691E-01 X I 15.0000 -1.671E-01 X I 15.5000 -1.626E-01 X I 16.0000 -1.574E-01 X I 16.5000 -1.514E-01 X I 17.0000 -1.445E-01 X I 17.5000 -1.369E-01 X I 18.0000 -1.285E-01 X I 18.5000 -1.192E-01 X I 19.0000 -1.092E-01 X I 19.5000 -9.849E-02 X I 20.0000 -8.711E-02 X I 20.5000 -7.514E-02 X I 21.0000 -6.266E-02 X I 21.5000 -4.975E-02 X I 22.0000 -3.649E-02 X I 22.5000 -2.299E-02 X I 23.0000 -9.339E-03 X I 23.5000 4.378E-03 IX 24.0000 1.807E-02 I X 24.5000 3.164E-02 I X 25.0000 4.501E-02 I X 25.5000 5.810E-02 I X 26.0000 7.084E-02 I X 26.5000 8.315E-02 I X 27.0000 9.498E-02 I X 27.5000 1.063E-01 I X 28.0000 1.170E-01 I X 28.5000 1.271E-01 I X 29.0000 1.365E-01 I X 29.5000 1.452E-01 I X 30.0000 1.533E-01 I X 31.0000 1.672E-01 I X 32.0000 1.781E-01 I X 33.0000 1.863E-01 I X 34.0000 1.916E-01 I X 35.0000 1.944E-01 I X 36.0000 1.949E-01 I X 37.0000 1.932E-01 I X 38.0000 1.897E-01 I X 39.0000 1.846E-01 I X 40.0000 1.782E-01 I X 41.0000 1.707E-01 I X 42.0000 1.624E-01 I X 43.0000 1.536E-01 I X 44.0000 1.444E-01 I X 45.0000 1.350E-01 I X 46.0000 1.255E-01 I X 47.0000 1.161E-01 I X 48.0000 1.070E-01 I X 49.0000 9.810E-02 I X 50.0000 8.960E-02 I X 52.0000 7.388E-02 I X 54.0000 6.006E-02 I X 56.0000 4.819E-02 I X 58.0000 3.821E-02 I X 60.0000 2.997E-02 I X 62.0000 2.328E-02 I X 64.0000 1.791E-02 I X 66.0000 1.365E-02 I X 68.0000 1.033E-02 I X 70.0000 7.755E-03 I X 72.0000 5.781E-03 I X 74.0000 4.281E-03 IX 76.0000 3.150E-03 IX 78.0000 2.304E-03 IX HF 10.0 0.0 0.0 0.0 x d8 9l d8 9l 152445.0 135445.0 FIXEDHF 17000.0 59 28.01 CONFIG=d8 9l d8 L=8 ELIM= 140865.000 N= 9 E= 135445.000HF E= -0.04939068 Z=2.0000 L=8.0000 STEP=-.0500 NUM= 19500 NSAVE=19500 IRREG=0 IFITER=99 NNODES= 0 NUMR 18961 NUMS 18961 NUML 19321 RS 27.013 RL 9.000 P0 0.00000000 RSCALE 9.70873786 R 15.40000000 P0 0.00000000 RSCALE 9.42595909 R 14.90000000 P0 0.00000000 RSCALE 9.15141659 R 14.45000000 P0 0.00000000 RSCALE 8.88487048 R 13.95000000 P0 0.00000000 RSCALE 8.62608784 R 13.40000000 P0 0.00000000 RSCALE 8.37484257 R 12.85000000 P0 0.00000000 RSCALE 8.13091511 R 12.20000000 P0 0.00000000 RSCALE 7.89409234 R 11.30000000 P0 0.00000000 RSCALE 7.66416732 R 9.45000000 P0 0.00000000 RSCALE 7.44093915 R 10.25000000 P0 0.00000000 RSCALE 7.22421277 R 11.20000000 P0 0.00000000 RSCALE 7.01379880 R 11.65000000 P0 0.00000000 RSCALE 6.80951340 R 11.95000000 P0 0.00000000 RSCALE 6.61117806 R 12.10000000 P0 0.00000000 RSCALE 6.41861947 R 12.20000000 P0 0.00000000 RSCALE 6.23166939 R 12.30000000 P0 0.00000000 RSCALE 6.05016446 R 12.35000000 P0 0.00000000 RSCALE 5.87394608 R 12.40000000 P0 0.00000000 RSCALE 5.70286027 R 12.45000000 P0 0.00000000 RSCALE 5.53675754 R 12.45000000 P0 0.00000000 RSCALE 5.37549276 R 12.45000000 P0 0.00000000 RSCALE 5.21892501 R 12.45000000 P0 0.00000000 RSCALE 5.06691748 R 12.45000000 P0 0.00000000 RSCALE 4.91933736 R 12.45000000 P0 0.00000000 RSCALE 4.77605569 R 12.45000000 P0 0.00000000 RSCALE 4.63694727 R 12.45000000 P0 0.00000000 RSCALE 4.50189056 R 12.45000000 INWARD INTEGRATION STOPS AT 190 ORIGIN ~R**2 CNORM= 1.00145E+00 0.0500 7.196E-10 X 0.1000 2.878E-09 X 0.1500 6.476E-09 X 0.2000 1.151E-08 X 0.2500 1.799E-08 X 0.3000 2.590E-08 X 0.3500 3.526E-08 X 0.4000 4.605E-08 X 0.4500 5.828E-08 X 0.5000 7.196E-08 X 0.5500 8.707E-08 X 0.6000 1.036E-07 X 0.6500 1.216E-07 X 0.7000 1.410E-07 X 0.7500 1.619E-07 X 0.8000 1.842E-07 X 0.8500 2.080E-07 X 0.9000 2.331E-07 X 0.9500 2.598E-07 X 1.0000 2.878E-07 X 1.1000 3.483E-07 X 1.2000 4.145E-07 X 1.3000 4.864E-07 X 1.4000 5.641E-07 X 1.5000 6.476E-07 X 1.6000 7.368E-07 X 1.7000 8.318E-07 X 1.8000 9.325E-07 X 1.9000 1.039E-06 X 2.0000 1.151E-06 X 2.1000 1.269E-06 X 2.2000 1.393E-06 X 2.3000 1.523E-06 X 2.4000 1.658E-06 X 2.5000 1.799E-06 X 2.6000 1.946E-06 X 2.7000 2.098E-06 X 2.8000 2.257E-06 X 2.9000 2.421E-06 X 3.0000 2.590E-06 X 3.1000 2.766E-06 X 3.2000 2.947E-06 X 3.3000 3.134E-06 X 3.4000 3.327E-06 X 3.5000 3.526E-06 X 3.6000 3.730E-06 X 3.7000 3.940E-06 X 3.8000 4.156E-06 X 3.9000 4.378E-06 X 4.0000 4.605E-06 X 4.1000 4.838E-06 X 4.2000 5.077E-06 X 4.3000 5.322E-06 X 4.4000 5.572E-06 X 4.5000 5.828E-06 X 4.6000 6.090E-06 X 4.7000 6.358E-06 X 4.8000 6.631E-06 X 4.9000 6.911E-06 X 5.0000 7.196E-06 X 5.2000 7.783E-06 X 5.4000 8.393E-06 X 5.6000 9.026E-06 X 5.8000 9.682E-06 X 6.0000 1.036E-05 X 6.2000 1.106E-05 X 6.4000 1.179E-05 X 6.6000 1.254E-05 X 6.8000 1.331E-05 X 7.0000 1.410E-05 X 7.2000 1.492E-05 X 7.4000 1.576E-05 X 7.6000 1.662E-05 X 7.8000 1.751E-05 X 8.0000 1.842E-05 X 8.2000 1.935E-05 X 8.4000 2.031E-05 X 8.6000 2.129E-05 X 8.8000 2.229E-05 X 9.0000 2.331E-05 X 9.2000 2.436E-05 X 9.4000 2.543E-05 X 9.6000 1.110E-04 X 9.8000 2.818E-04 X 10.0000 4.548E-04 X 10.2500 6.760E-04 X 10.5000 2.827E-03 IX 10.7500 2.871E-03 IX 11.0000 2.948E-03 IX 11.2500 4.131E-03 IX 11.5000 4.158E-03 IX 11.7500 4.868E-03 IX 12.0000 5.324E-03 IX 12.2500 5.807E-03 I X 12.5000 6.131E-03 I X 12.7500 6.168E-03 I X 13.0000 6.273E-03 I X 13.2500 6.445E-03 I X 13.5000 6.679E-03 I X 13.7500 6.976E-03 I X 14.0000 7.334E-03 I X 14.2500 7.752E-03 I X 14.5000 8.229E-03 I X 14.7500 8.766E-03 I X 15.0000 9.363E-03 I X 15.5000 1.074E-02 I X 16.0000 1.236E-02 I X 16.5000 1.422E-02 I X 17.0000 1.635E-02 I X 17.5000 1.873E-02 I X 18.0000 2.137E-02 I X 18.5000 2.428E-02 I X 19.0000 2.745E-02 I X 19.5000 3.088E-02 I X 20.0000 3.457E-02 I X 20.5000 3.852E-02 I X 21.0000 4.271E-02 I X 21.5000 4.714E-02 I X 22.0000 5.179E-02 I X 22.5000 5.665E-02 I X 23.0000 6.172E-02 I X 23.5000 6.695E-02 I X 24.0000 7.235E-02 I X 24.5000 7.789E-02 I X 25.0000 8.355E-02 I X 25.5000 8.930E-02 I X 26.0000 9.513E-02 I X 26.5000 1.010E-01 I X 27.0000 1.069E-01 I X 27.5000 1.128E-01 I X 28.0000 1.187E-01 I X 28.5000 1.245E-01 I X 29.0000 1.303E-01 I X 29.5000 1.359E-01 I X 30.0000 1.415E-01 I X 31.0000 1.521E-01 I X 32.0000 1.620E-01 I X 33.0000 1.711E-01 I X 34.0000 1.792E-01 I X 35.0000 1.862E-01 I X 36.0000 1.921E-01 I X 37.0000 1.968E-01 I X 38.0000 2.003E-01 I X 39.0000 2.026E-01 I X 40.0000 2.038E-01 I X 41.0000 2.037E-01 I X 42.0000 2.026E-01 I X 43.0000 2.005E-01 I X 44.0000 1.974E-01 I X 45.0000 1.935E-01 I X 46.0000 1.888E-01 I X 47.0000 1.835E-01 I X 48.0000 1.776E-01 I X 49.0000 1.712E-01 I X 50.0000 1.644E-01 I X 52.0000 1.500E-01 I X 54.0000 1.351E-01 I X 56.0000 1.201E-01 I X 58.0000 1.056E-01 I X 60.0000 9.186E-02 I X 62.0000 7.911E-02 I X 64.0000 6.749E-02 I X 66.0000 5.708E-02 I X 68.0000 4.788E-02 I X 70.0000 3.984E-02 I X 72.0000 3.292E-02 I X 74.0000 2.701E-02 I X 76.0000 2.201E-02 I X 78.0000 1.783E-02 I X 80.0000 1.436E-02 I X 82.0000 1.149E-02 I X 84.0000 9.154E-03 I X 86.0000 7.254E-03 I X 88.0000 5.720E-03 I X 90.0000 4.489E-03 IX 92.0000 3.508E-03 IX 94.0000 2.729E-03 IX 96.0000 2.115E-03 IX HF 10.0 0.0 0.0 0.0 y d7 4s9l d7 4s 9l 221816.1 194816.1 FIXEDHF 27000.0 60 28.01 CONFIG=d7 4s9l d7 4s L=8 ELIM= 200236.500 N= 9 E= 194816.100HF E= -0.04939432 Z=2.0000 L=8.0000 STEP=-.0500 NUM= 19500 NSAVE=19500 IRREG=0 IFITER=99 NNODES= 0 NUMR 18961 NUMS 18961 NUML 19321 RS 27.013 RL 9.000 P0 0.00000000 RSCALE 9.70873786 R 15.30000000 P0 0.00000000 RSCALE 9.42595909 R 14.80000000 P0 0.00000000 RSCALE 9.15141659 R 14.30000000 P0 0.00000000 RSCALE 8.88487048 R 13.75000000 P0 0.00000000 RSCALE 8.62608784 R 13.15000000 P0 0.00000000 RSCALE 8.37484257 R 12.45000000 P0 0.00000000 RSCALE 8.13091511 R 11.45000000 P0 0.00000000 RSCALE 7.89409234 R 9.00000000 P0 0.00000000 RSCALE 7.66416732 R 10.70000000 P0 0.00000000 RSCALE 7.44093915 R 11.60000000 P0 0.00000000 RSCALE 7.22421277 R 12.05000000 P0 0.00000000 RSCALE 7.01379880 R 12.35000000 P0 0.00000000 RSCALE 6.80951340 R 12.50000000 P0 0.00000000 RSCALE 6.61117806 R 12.65000000 P0 0.00000000 RSCALE 6.41861947 R 12.70000000 P0 0.00000000 RSCALE 6.23166939 R 12.80000000 P0 0.00000000 RSCALE 6.05016446 R 12.85000000 P0 0.00000000 RSCALE 5.87394608 R 12.85000000 P0 0.00000000 RSCALE 5.70286027 R 12.85000000 P0 0.00000000 RSCALE 5.53675754 R 12.90000000 P0 0.00000000 RSCALE 5.37549276 R 12.90000000 P0 0.00000000 RSCALE 5.21892501 R 12.90000000 P0 0.00000000 RSCALE 5.06691748 R 12.90000000 P0 0.00000000 RSCALE 4.91933736 R 12.90000000 P0 0.00000000 RSCALE 4.77605569 R 12.90000000 INWARD INTEGRATION STOPS AT 181 ORIGIN ~R**2 CNORM= 1.00180E+00 0.0500 2.537E-10 X 0.1000 1.015E-09 X 0.1500 2.283E-09 X 0.2000 4.059E-09 X 0.2500 6.342E-09 X 0.3000 9.132E-09 X 0.3500 1.243E-08 X 0.4000 1.624E-08 X 0.4500 2.055E-08 X 0.5000 2.537E-08 X 0.5500 3.069E-08 X 0.6000 3.653E-08 X 0.6500 4.287E-08 X 0.7000 4.972E-08 X 0.7500 5.708E-08 X 0.8000 6.494E-08 X 0.8500 7.331E-08 X 0.9000 8.219E-08 X 0.9500 9.158E-08 X 1.0000 1.015E-07 X 1.1000 1.228E-07 X 1.2000 1.461E-07 X 1.3000 1.715E-07 X 1.4000 1.989E-07 X 1.5000 2.283E-07 X 1.6000 2.598E-07 X 1.7000 2.932E-07 X 1.8000 3.288E-07 X 1.9000 3.663E-07 X 2.0000 4.059E-07 X 2.1000 4.475E-07 X 2.2000 4.911E-07 X 2.3000 5.368E-07 X 2.4000 5.845E-07 X 2.5000 6.342E-07 X 2.6000 6.859E-07 X 2.7000 7.397E-07 X 2.8000 7.955E-07 X 2.9000 8.534E-07 X 3.0000 9.132E-07 X 3.1000 9.751E-07 X 3.2000 1.039E-06 X 3.3000 1.105E-06 X 3.4000 1.173E-06 X 3.5000 1.243E-06 X 3.6000 1.315E-06 X 3.7000 1.389E-06 X 3.8000 1.465E-06 X 3.9000 1.543E-06 X 4.0000 1.624E-06 X 4.1000 1.706E-06 X 4.2000 1.790E-06 X 4.3000 1.876E-06 X 4.4000 1.964E-06 X 4.5000 2.055E-06 X 4.6000 2.147E-06 X 4.7000 2.241E-06 X 4.8000 2.338E-06 X 4.9000 2.436E-06 X 5.0000 2.537E-06 X 5.2000 2.744E-06 X 5.4000 2.959E-06 X 5.6000 3.182E-06 X 5.8000 3.413E-06 X 6.0000 3.653E-06 X 6.2000 3.901E-06 X 6.4000 4.156E-06 X 6.6000 4.420E-06 X 6.8000 4.692E-06 X 7.0000 4.972E-06 X 7.2000 5.260E-06 X 7.4000 5.557E-06 X 7.6000 5.861E-06 X 7.8000 6.173E-06 X 8.0000 6.494E-06 X 8.2000 6.823E-06 X 8.4000 7.160E-06 X 8.6000 7.505E-06 X 8.8000 7.858E-06 X 9.0000 8.219E-06 X 9.2000 1.239E-04 X 9.4000 2.790E-04 X 9.6000 4.361E-04 X 9.8000 5.964E-04 X 10.0000 7.609E-04 X 10.2500 9.739E-04 X 10.5000 1.197E-03 X 10.7500 3.751E-03 IX 11.0000 3.776E-03 IX 11.2500 3.838E-03 IX 11.5000 3.938E-03 IX 11.7500 5.267E-03 IX 12.0000 5.318E-03 IX 12.2500 6.135E-03 I X 12.5000 6.671E-03 I X 12.7500 7.382E-03 I X 13.0000 7.622E-03 I X 13.2500 7.685E-03 I X 13.5000 7.824E-03 I X 13.7500 8.035E-03 I X 14.0000 8.316E-03 I X 14.2500 8.665E-03 I X 14.5000 9.081E-03 I X 14.7500 9.563E-03 I X 15.0000 1.011E-02 I X 15.5000 1.140E-02 I X 16.0000 1.295E-02 I X 16.5000 1.476E-02 I X 17.0000 1.683E-02 I X 17.5000 1.917E-02 I X 18.0000 2.178E-02 I X 18.5000 2.465E-02 I X 19.0000 2.779E-02 I X 19.5000 3.120E-02 I X 20.0000 3.488E-02 I X 20.5000 3.881E-02 I X 21.0000 4.298E-02 I X 21.5000 4.740E-02 I X 22.0000 5.204E-02 I X 22.5000 5.689E-02 I X 23.0000 6.194E-02 I X 23.5000 6.717E-02 I X 24.0000 7.256E-02 I X 24.5000 7.809E-02 I X 25.0000 8.374E-02 I X 25.5000 8.948E-02 I X 26.0000 9.530E-02 I X 26.5000 1.012E-01 I X 27.0000 1.071E-01 I X 27.5000 1.129E-01 I X 28.0000 1.188E-01 I X 28.5000 1.246E-01 I X 29.0000 1.304E-01 I X 29.5000 1.360E-01 I X 30.0000 1.416E-01 I X 31.0000 1.522E-01 I X 32.0000 1.621E-01 I X 33.0000 1.712E-01 I X 34.0000 1.792E-01 I X 35.0000 1.863E-01 I X 36.0000 1.921E-01 I X 37.0000 1.968E-01 I X 38.0000 2.003E-01 I X 39.0000 2.026E-01 I X 40.0000 2.037E-01 I X 41.0000 2.037E-01 I X 42.0000 2.026E-01 I X 43.0000 2.005E-01 I X 44.0000 1.974E-01 I X 45.0000 1.935E-01 I X 46.0000 1.888E-01 I X 47.0000 1.834E-01 I X 48.0000 1.775E-01 I X 49.0000 1.711E-01 I X 50.0000 1.643E-01 I X 52.0000 1.499E-01 I X 54.0000 1.350E-01 I X 56.0000 1.200E-01 I X 58.0000 1.055E-01 I X 60.0000 9.179E-02 I X 62.0000 7.905E-02 I X 64.0000 6.744E-02 I X 66.0000 5.703E-02 I X 68.0000 4.783E-02 I X 70.0000 3.981E-02 I X 72.0000 3.288E-02 I X 74.0000 2.698E-02 I X 76.0000 2.199E-02 I X 78.0000 1.781E-02 I X 80.0000 1.434E-02 I X 82.0000 1.148E-02 I X 84.0000 9.144E-03 I X 86.0000 7.245E-03 I X 88.0000 5.712E-03 I X 90.0000 4.483E-03 IX 92.0000 3.503E-03 IX 94.0000 2.725E-03 IX 96.0000 2.112E-03 IX 0.0 0.0 0.0 0.0 z d7p2 d7 4p 4p 176446.0 149446.0 FIXEDHF 27000.0 61 28.01 CONFIG=d7p2 d7 4p L=1 ELIM= 284488.200 N= 4 E= 176446.000 E= -0.98455302 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 3900 NSAVE= 3900 IRREG=0 IFITER=99 NNODES= 2 NUMR 3361 NUMS 3361 NUML 3896 RS 27.013 RL 0.250 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 RMAX 1.33273057 RMIN -1.00000000 RSCALE 1.29391318 DEL -11.76590535 RSCALE 1.29391318 DEL -21.56881811 RSCALE 1.30659629 DEL -11.76590503 RSCALE 1.29391318 DEL -6.95177628 RSCALE 1.28135318 DEL -4.12457071 RSCALE 1.26891511 DEL -2.28471948 RSCALE 1.25659777 DEL -1.00452485 RSCALE 1.24439999 DEL -0.24345612 RSCALE 1.23482881 DEL -0.03378258 RSCALE 1.23176712 DEL -0.00132704 RSCALE 1.23127382 DEL -0.00000755 RSCALE 1.23125365 DEL 0.00000000 RSCALE 1.23125353 CNORM= 9.40609E-01 0.0500 8.704E-02 I X 0.1000 1.683E-01 I X 0.1500 1.684E-01 I X 0.2000 1.061E-01 I X 0.2500 1.417E-02 IX 0.3000 -8.153E-02 X I 0.3500 -1.650E-01 X I 0.4000 -2.284E-01 X I 0.4500 -2.691E-01 X I 0.5000 -2.879E-01 X I 0.5500 -2.871E-01 X I 0.6000 -2.700E-01 X I 0.6500 -2.398E-01 X I 0.7000 -1.998E-01 X I 0.7500 -1.527E-01 X I 0.8000 -1.009E-01 X I 0.8500 -4.640E-02 X I 0.9000 9.200E-03 IX 0.9500 6.464E-02 I X 1.0000 1.189E-01 I X 1.1000 2.214E-01 I X 1.2000 3.130E-01 I X 1.3000 3.922E-01 I X 1.4000 4.589E-01 I X 1.5000 5.135E-01 I X 1.6000 5.571E-01 I X 1.7000 5.908E-01 I X 1.8000 6.158E-01 I X 1.9000 6.332E-01 I X 2.0000 6.442E-01 I X 2.1000 6.496E-01 I X 2.2000 6.503E-01 I X 2.3000 6.470E-01 I X 2.4000 6.404E-01 I X 2.5000 6.310E-01 I X 2.6000 6.194E-01 I X 2.7000 6.058E-01 I X 2.8000 5.908E-01 I X 2.9000 5.745E-01 I X 3.0000 5.573E-01 I X 3.1000 5.393E-01 I X 3.2000 5.208E-01 I X 3.3000 5.020E-01 I X 3.4000 4.829E-01 I X 3.5000 4.637E-01 I X 3.6000 4.446E-01 I X 3.7000 4.255E-01 I X 3.8000 4.067E-01 I X 3.9000 3.882E-01 I X 4.0000 3.700E-01 I X 4.1000 3.522E-01 I X 4.2000 3.348E-01 I X 4.3000 3.180E-01 I X 4.4000 3.017E-01 I X 4.5000 2.859E-01 I X 4.6000 2.706E-01 I X 4.7000 2.560E-01 I X 4.8000 2.419E-01 I X 4.9000 2.283E-01 I X 5.0000 2.154E-01 I X 5.2000 1.912E-01 I X 5.4000 1.692E-01 I X 5.6000 1.493E-01 I X 5.8000 1.314E-01 I X 6.0000 1.154E-01 I X 6.2000 1.011E-01 I X 6.4000 8.842E-02 I X 6.6000 7.715E-02 I X 6.8000 6.720E-02 I X 7.0000 5.843E-02 I X 7.2000 5.071E-02 I X 7.4000 4.395E-02 I X 7.6000 3.803E-02 I X 7.8000 3.287E-02 I X 8.0000 2.836E-02 I X 8.2000 2.445E-02 I X 8.4000 2.105E-02 I X 8.6000 1.810E-02 I X 8.8000 1.555E-02 IX 9.0000 1.334E-02 IX 9.2000 1.143E-02 IX 9.4000 9.792E-03 IX 9.6000 8.378E-03 IX 9.8000 7.162E-03 IX 0.0 0.0 0.0 0.0 z d7p2 d6p2 3d 176446.0 149446.0 FIXEDHF 27000.0 61 28.01 CONFIG=d7p2 d6p2 L=2 ELIM= 464473.600 N= 3 E= 176446.000 E= -2.62470075 Z=2.0000 L=2.0000 STEP=-.0500 NUM= 3000 NSAVE= 3000 IRREG=0 IFITER=99 NNODES= 0 NUMR 2461 NUMS 2461 NUML 2986 RS 27.013 RL 0.750 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 RMAX 1.33273057 RMIN -1.00000000 RSCALE 1.29391318 DEL -49.02261563 RSCALE 1.29391318 DEL -416.71755613 RSCALE 1.30659629 DEL -49.02261562 RSCALE 1.29391318 DEL -43.22580770 RSCALE 1.29222221 DEL -21.54693812 RSCALE 1.27967863 DEL -13.18380316 RSCALE 1.26725681 DEL -8.80321531 RSCALE 1.25495557 DEL -6.13631440 RSCALE 1.24277373 DEL -4.35920563 RSCALE 1.23071015 DEL -3.10115067 RSCALE 1.21876366 DEL -2.17097851 RSCALE 1.20693314 DEL -1.46029918 RSCALE 1.19521746 DEL -0.90319367 RSCALE 1.18361550 DEL -0.45734738 RSCALE 1.17212616 DEL -0.09440656 RSCALE 1.16074835 DEL -0.01050922 RSCALE 1.15778881 DEL -0.00027431 RSCALE 1.15741809 DEL -0.00000082 RSCALE 1.15740815 DEL 0.00000000 RSCALE 1.15740812 CNORM= 1.63863E+00 0.0500 2.040E-02 IX 0.1000 1.086E-01 I X 0.1500 2.505E-01 I X 0.2000 4.151E-01 I X 0.2500 5.777E-01 I X 0.3000 7.231E-01 I X 0.3500 8.439E-01 I X 0.4000 9.378E-01 I X 0.4500 1.006E+00 I X 0.5000 1.050E+00 I X 0.5500 1.074E+00 I X 0.6000 1.081E+00 I X 0.6500 1.074E+00 I X 0.7000 1.056E+00 I X 0.7500 1.030E+00 I X 0.8000 9.974E-01 I X 0.8500 9.603E-01 I X 0.9000 9.201E-01 I X 0.9500 8.781E-01 I X 1.0000 8.352E-01 I X 1.1000 7.493E-01 I X 1.2000 6.666E-01 I X 1.3000 5.894E-01 I X 1.4000 5.187E-01 I X 1.5000 4.550E-01 I X 1.6000 3.982E-01 I X 1.7000 3.477E-01 I X 1.8000 3.033E-01 I X 1.9000 2.643E-01 I X 2.0000 2.301E-01 I X 2.1000 2.003E-01 I X 2.2000 1.742E-01 I X 2.3000 1.515E-01 I X 2.4000 1.318E-01 I X 2.5000 1.146E-01 I X 2.6000 9.960E-02 I X 2.7000 8.659E-02 I X 2.8000 7.527E-02 I X 2.9000 6.542E-02 I X 3.0000 5.686E-02 I X 3.1000 4.942E-02 I X 3.2000 4.294E-02 I X 3.3000 3.730E-02 I X 3.4000 3.240E-02 I X 3.5000 2.814E-02 IX 3.6000 2.443E-02 IX 3.7000 2.121E-02 IX 3.8000 1.841E-02 IX 3.9000 1.598E-02 IX 4.0000 1.386E-02 IX 4.1000 1.202E-02 IX 0.0 0.0 0.0 0.0 1 d8 4p d7 4p 3d 65859.7 48800.4 17000.0 1 28.01 CONFIG=d8 4p d7 4p L=2 ELIM= 284488.200 N= 3 E= 65859.700 E= -1.99228959 Z=2.0000 L=2.0000 STEP=-.0500 NUM= 3000 NSAVE= 3000 IRREG=0 IFITER=99 NNODES= 0 NUMR 2461 NUMS 2461 NUML 2986 RS 27.013 RL 0.750 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 RMAX 1.33273057 RMIN -1.00000000 RSCALE 1.29391318 RMAX 1.29391318 RMIN -1.00000000 RSCALE 1.25622639 RMAX 1.25622639 RMIN -1.00000000 RSCALE 1.21963727 RMAX 1.21963727 RMIN -1.00000000 RSCALE 1.18411385 DEL -8.94050968 RSCALE 1.18411385 DEL -17.51327627 RSCALE 1.19572069 DEL -8.94050968 RSCALE 1.18411385 DEL -5.24410998 RSCALE 1.17261968 DEL -3.20315795 RSCALE 1.16123707 DEL -1.91978262 RSCALE 1.14996496 DEL -1.04496930 RSCALE 1.13880227 DEL -0.41489372 RSCALE 1.12774794 DEL -0.08736441 RSCALE 1.12046885 DEL -0.00918865 RSCALE 1.11852724 DEL -0.00022854 RSCALE 1.11829903 DEL -0.00000061 RSCALE 1.11829321 DEL 0.00000000 RSCALE 1.11829319 CNORM= 1.92943E+00 0.0500 1.801E-02 IX 0.1000 9.614E-02 I X 0.1500 2.227E-01 I X 0.2000 3.707E-01 I X 0.2500 5.186E-01 I X 0.3000 6.529E-01 I X 0.3500 7.669E-01 I X 0.4000 8.582E-01 I X 0.4500 9.270E-01 I X 0.5000 9.754E-01 I X 0.5500 1.006E+00 I X 0.6000 1.021E+00 I X 0.6500 1.023E+00 I X 0.7000 1.015E+00 I X 0.7500 9.985E-01 I X 0.8000 9.759E-01 I X 0.8500 9.486E-01 I X 0.9000 9.177E-01 I X 0.9500 8.845E-01 I X 1.0000 8.497E-01 I X 1.1000 7.781E-01 I X 1.2000 7.069E-01 I X 1.3000 6.386E-01 I X 1.4000 5.746E-01 I X 1.5000 5.154E-01 I X 1.6000 4.614E-01 I X 1.7000 4.124E-01 I X 1.8000 3.682E-01 I X 1.9000 3.284E-01 I X 2.0000 2.929E-01 I X 2.1000 2.611E-01 I X 2.2000 2.327E-01 I X 2.3000 2.073E-01 I X 2.4000 1.848E-01 I X 2.5000 1.646E-01 I X 2.6000 1.467E-01 I X 2.7000 1.307E-01 I X 2.8000 1.164E-01 I X 2.9000 1.037E-01 I X 3.0000 9.239E-02 I X 3.1000 8.229E-02 I X 3.2000 7.327E-02 I X 3.3000 6.523E-02 I X 3.4000 5.806E-02 I X 3.5000 5.167E-02 I X 3.6000 4.597E-02 I X 3.7000 4.089E-02 I X 3.8000 3.636E-02 I X 3.9000 3.232E-02 I X 4.0000 2.873E-02 I X 4.1000 2.552E-02 IX 4.2000 2.267E-02 IX 4.3000 2.013E-02 IX 4.4000 1.787E-02 IX 4.5000 1.586E-02 IX 4.6000 1.408E-02 IX 4.7000 1.249E-02 IX 4.8000 1.107E-02 IX 0.0 0.0 0.0 0.0 1 d8 4p d8 4p 65859.7 48800.4 17000.0 1 28.01 CONFIG=d8 4p d8 L=1 ELIM= 161648.800 N= 4 E= 65859.700 E= -0.87289455 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 4100 NSAVE= 4100 IRREG=0 IFITER=99 NNODES= 2 NUMR 3561 NUMS 3561 NUML 4096 RS 27.013 RL 0.250 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 RMAX 1.33273057 RMIN -1.00000000 RSCALE 1.29391318 DEL -30.35727836 RSCALE 1.29391318 DEL -52.31701961 RSCALE 1.30659629 DEL -30.35727731 RSCALE 1.29391318 DEL -19.91996200 RSCALE 1.28135318 DEL -13.89995613 RSCALE 1.26891511 DEL -10.02822191 RSCALE 1.25659777 DEL -7.35702827 RSCALE 1.24439999 DEL -5.42124522 RSCALE 1.23232062 DEL -3.96636002 RSCALE 1.22035850 DEL -2.84170770 RSCALE 1.20851250 DEL -1.95261600 RSCALE 1.19678149 DEL -1.23674298 RSCALE 1.18516435 DEL -0.65145534 RSCALE 1.17365997 DEL -0.16667558 RSCALE 1.16226727 DEL -0.01815695 RSCALE 1.15835027 DEL -0.00057430 RSCALE 1.15787140 DEL -0.00000205 RSCALE 1.15785576 DEL 0.00000000 RSCALE 1.15785570 CNORM= 9.70384E-01 0.0500 7.269E-02 I X 0.1000 1.419E-01 I X 0.1500 1.450E-01 I X 0.2000 9.619E-02 I X 0.2500 2.169E-02 I X 0.3000 -5.772E-02 X I 0.3500 -1.290E-01 X I 0.4000 -1.854E-01 X I 0.4500 -2.244E-01 X I 0.5000 -2.462E-01 X I 0.5500 -2.523E-01 X I 0.6000 -2.450E-01 X I 0.6500 -2.267E-01 X I 0.7000 -1.997E-01 X I 0.7500 -1.661E-01 X I 0.8000 -1.278E-01 X I 0.8500 -8.637E-02 X I 0.9000 -4.306E-02 X I 0.9500 1.085E-03 X 1.0000 4.522E-02 I X 1.1000 1.311E-01 I X 1.2000 2.110E-01 I X 1.3000 2.832E-01 I X 1.4000 3.470E-01 I X 1.5000 4.023E-01 I X 1.6000 4.495E-01 I X 1.7000 4.891E-01 I X 1.8000 5.218E-01 I X 1.9000 5.482E-01 I X 2.0000 5.690E-01 I X 2.1000 5.848E-01 I X 2.2000 5.961E-01 I X 2.3000 6.035E-01 I X 2.4000 6.075E-01 I X 2.5000 6.083E-01 I X 2.6000 6.065E-01 I X 2.7000 6.023E-01 I X 2.8000 5.960E-01 I X 2.9000 5.879E-01 I X 3.0000 5.782E-01 I X 3.1000 5.671E-01 I X 3.2000 5.548E-01 I X 3.3000 5.416E-01 I X 3.4000 5.274E-01 I X 3.5000 5.126E-01 I X 3.6000 4.972E-01 I X 3.7000 4.815E-01 I X 3.8000 4.654E-01 I X 3.9000 4.491E-01 I X 4.0000 4.327E-01 I X 4.1000 4.163E-01 I X 4.2000 4.000E-01 I X 4.3000 3.838E-01 I X 4.4000 3.678E-01 I X 4.5000 3.521E-01 I X 4.6000 3.367E-01 I X 4.7000 3.215E-01 I X 4.8000 3.068E-01 I X 4.9000 2.924E-01 I X 5.0000 2.784E-01 I X 5.2000 2.518E-01 I X 5.4000 2.269E-01 I X 5.6000 2.039E-01 I X 5.8000 1.827E-01 I X 6.0000 1.632E-01 I X 6.2000 1.455E-01 I X 6.4000 1.294E-01 I X 6.6000 1.148E-01 I X 6.8000 1.016E-01 I X 7.0000 8.981E-02 I X 7.2000 7.922E-02 I X 7.4000 6.976E-02 I X 7.6000 6.133E-02 I X 7.8000 5.384E-02 I X 8.0000 4.719E-02 I X 8.2000 4.131E-02 I X 8.4000 3.611E-02 I X 8.6000 3.153E-02 I X 8.8000 2.749E-02 I X 9.0000 2.395E-02 I X 9.2000 2.084E-02 I X 9.4000 1.811E-02 I X 9.6000 1.573E-02 IX 9.8000 1.364E-02 IX 10.0000 1.182E-02 IX 10.2500 9.875E-03 IX 10.5000 8.237E-03 IX 10.7500 6.862E-03 IX 0.0 0.0 0.0 0.0 2 d8 5p d8 5p 115655.8 99006.3 17000.0 2 28.01 CONFIG=d8 5p d8 L=1 ELIM= 161648.800 N= 5 E= 115655.800 E= -0.41911908 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 6100 NSAVE= 6100 IRREG=0 IFITER=99 NNODES= 3 NUMR 5561 NUMS 5561 NUML 6096 RS 27.013 RL 0.250 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 RMAX 1.33273057 RMIN -1.00000000 RSCALE 1.29391318 DEL -16.00334500 RSCALE 1.29391318 DEL -32.56602049 RSCALE 1.30659629 DEL -16.00333665 RSCALE 1.29391318 DEL -9.38662354 RSCALE 1.28165839 DEL -5.72494059 RSCALE 1.26921736 DEL -3.46844017 RSCALE 1.25689708 DEL -1.95212991 RSCALE 1.24469640 DEL -0.87207741 RSCALE 1.23261415 DEL -0.20228694 RSCALE 1.22285846 DEL -0.02696116 RSCALE 1.21991210 DEL -0.00096742 RSCALE 1.21945901 DEL -0.00000481 RSCALE 1.21944215 DEL 0.00000000 RSCALE 1.21944206 CNORM= 9.88575E-01 0.0500 4.126E-02 I X 0.1000 7.984E-02 I X 0.1500 8.003E-02 I X 0.2000 5.061E-02 I X 0.2500 7.075E-03 IX 0.3000 -3.831E-02 X I 0.3500 -7.796E-02 X I 0.4000 -1.081E-01 X I 0.4500 -1.274E-01 X I 0.5000 -1.363E-01 X I 0.5500 -1.358E-01 X I 0.6000 -1.275E-01 X I 0.6500 -1.129E-01 X I 0.7000 -9.359E-02 X I 0.7500 -7.086E-02 X I 0.8000 -4.588E-02 X I 0.8500 -1.962E-02 X I 0.9000 7.128E-03 IX 0.9500 3.373E-02 I X 1.0000 5.971E-02 I X 1.1000 1.084E-01 I X 1.2000 1.512E-01 I X 1.3000 1.872E-01 I X 1.4000 2.163E-01 I X 1.5000 2.386E-01 I X 1.6000 2.546E-01 I X 1.7000 2.647E-01 I X 1.8000 2.694E-01 I X 1.9000 2.694E-01 I X 2.0000 2.651E-01 I X 2.1000 2.571E-01 I X 2.2000 2.459E-01 I X 2.3000 2.317E-01 I X 2.4000 2.151E-01 I X 2.5000 1.964E-01 I X 2.6000 1.758E-01 I X 2.7000 1.537E-01 I X 2.8000 1.304E-01 I X 2.9000 1.060E-01 I X 3.0000 8.091E-02 I X 3.1000 5.524E-02 I X 3.2000 2.919E-02 I X 3.3000 2.955E-03 X 3.4000 -2.330E-02 X I 3.5000 -4.941E-02 X I 3.6000 -7.525E-02 X I 3.7000 -1.007E-01 X I 3.8000 -1.256E-01 X I 3.9000 -1.499E-01 X I 4.0000 -1.735E-01 X I 4.1000 -1.963E-01 X I 4.2000 -2.182E-01 X I 4.3000 -2.393E-01 X I 4.4000 -2.593E-01 X I 4.5000 -2.784E-01 X I 4.6000 -2.964E-01 X I 4.7000 -3.134E-01 X I 4.8000 -3.293E-01 X I 4.9000 -3.441E-01 X I 5.0000 -3.579E-01 X I 5.2000 -3.821E-01 X I 5.4000 -4.022E-01 X I 5.6000 -4.182E-01 X I 5.8000 -4.303E-01 X I 6.0000 -4.388E-01 X I 6.2000 -4.439E-01 X I 6.4000 -4.459E-01 X I 6.6000 -4.452E-01 X I 6.8000 -4.419E-01 X I 7.0000 -4.364E-01 X I 7.2000 -4.289E-01 X I 7.4000 -4.198E-01 X I 7.6000 -4.092E-01 X I 7.8000 -3.975E-01 X I 8.0000 -3.848E-01 X I 8.2000 -3.713E-01 X I 8.4000 -3.572E-01 X I 8.6000 -3.428E-01 X I 8.8000 -3.280E-01 X I 9.0000 -3.132E-01 X I 9.2000 -2.983E-01 X I 9.4000 -2.835E-01 X I 9.6000 -2.689E-01 X I 9.8000 -2.546E-01 X I 10.0000 -2.406E-01 X I 10.2500 -2.236E-01 X I 10.5000 -2.073E-01 X I 10.7500 -1.917E-01 X I 11.0000 -1.769E-01 X I 11.2500 -1.628E-01 X I 11.5000 -1.496E-01 X I 11.7500 -1.372E-01 X I 12.0000 -1.256E-01 X I 12.2500 -1.148E-01 X I 12.5000 -1.047E-01 X I 12.7500 -9.537E-02 X I 13.0000 -8.673E-02 X I 13.2500 -7.876E-02 X I 13.5000 -7.143E-02 X I 13.7500 -6.469E-02 X I 14.0000 -5.851E-02 X I 14.2500 -5.286E-02 X I 14.5000 -4.770E-02 X I 14.7500 -4.299E-02 X I 15.0000 -3.871E-02 X I 15.5000 -3.128E-02 X I 16.0000 -2.518E-02 X I 16.5000 -2.020E-02 X I 17.0000 -1.615E-02 X I 17.5000 -1.287E-02 X I 18.0000 -1.022E-02 XI 18.5000 -8.101E-03 XI 19.0000 -6.402E-03 XI 19.5000 -5.047E-03 XI 0.0 0.0 0.0 0.0 3 d8 6p d8 6p 133447.0 116604.9 17000.0 3 28.01 CONFIG=d8 6p d8 L=1 ELIM= 161648.800 N= 6 E= 133447.000 E= -0.25699372 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 7900 NSAVE= 7900 IRREG=0 IFITER=99 NNODES= 4 NUMR 7361 NUMS 7361 NUML 7896 RS 27.013 RL 0.250 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 DEL -9.73833644 RSCALE 1.33273057 DEL -1.23385541 RSCALE 1.34579418 DEL -0.72387943 RSCALE 1.34768948 DEL -0.11674038 RSCALE 1.35037975 DEL -0.01289483 RSCALE 1.35089704 DEL -0.00025738 RSCALE 1.35096127 DEL -0.00000078 RSCALE 1.35096258 DEL -0.00000010 RSCALE 1.35096258 DEL -0.00000004 RSCALE 1.35096258 DEL 0.00000000 RSCALE 1.35096258 CNORM= 9.92843E-01 0.0500 2.768E-02 I X 0.1000 5.272E-02 I X 0.1500 5.104E-02 I X 0.2000 2.933E-02 I X 0.2500 -1.154E-03 X 0.3000 -3.169E-02 X I 0.3500 -5.703E-02 X I 0.4000 -7.473E-02 X I 0.4500 -8.421E-02 X I 0.5000 -8.600E-02 X I 0.5500 -8.122E-02 X I 0.6000 -7.116E-02 X I 0.6500 -5.715E-02 X I 0.7000 -4.039E-02 X I 0.7500 -2.194E-02 X I 0.8000 -2.686E-03 X 0.8500 1.667E-02 I X 0.9000 3.556E-02 I X 0.9500 5.358E-02 I X 1.0000 7.040E-02 I X 1.1000 9.970E-02 I X 1.2000 1.225E-01 I X 1.3000 1.388E-01 I X 1.4000 1.488E-01 I X 1.5000 1.532E-01 I X 1.6000 1.525E-01 I X 1.7000 1.474E-01 I X 1.8000 1.387E-01 I X 1.9000 1.269E-01 I X 2.0000 1.127E-01 I X 2.1000 9.642E-02 I X 2.2000 7.863E-02 I X 2.3000 5.968E-02 I X 2.4000 3.994E-02 I X 2.5000 1.969E-02 I X 2.6000 -7.847E-04 X 2.7000 -2.125E-02 X I 2.8000 -4.151E-02 X I 2.9000 -6.136E-02 X I 3.0000 -8.066E-02 X I 3.1000 -9.925E-02 X I 3.2000 -1.170E-01 X I 3.3000 -1.338E-01 X I 3.4000 -1.496E-01 X I 3.5000 -1.643E-01 X I 3.6000 -1.777E-01 X I 3.7000 -1.900E-01 X I 3.8000 -2.009E-01 X I 3.9000 -2.106E-01 X I 4.0000 -2.188E-01 X I 4.1000 -2.258E-01 X I 4.2000 -2.314E-01 X I 4.3000 -2.356E-01 X I 4.4000 -2.385E-01 X I 4.5000 -2.401E-01 X I 4.6000 -2.404E-01 X I 4.7000 -2.395E-01 X I 4.8000 -2.373E-01 X I 4.9000 -2.341E-01 X I 5.0000 -2.296E-01 X I 5.2000 -2.177E-01 X I 5.4000 -2.019E-01 X I 5.6000 -1.828E-01 X I 5.8000 -1.608E-01 X I 6.0000 -1.364E-01 X I 6.2000 -1.101E-01 X I 6.4000 -8.227E-02 X I 6.6000 -5.340E-02 X I 6.8000 -2.388E-02 X I 7.0000 5.910E-03 IX 7.2000 3.564E-02 I X 7.4000 6.501E-02 I X 7.6000 9.373E-02 I X 7.8000 1.216E-01 I X 8.0000 1.483E-01 I X 8.2000 1.739E-01 I X 8.4000 1.980E-01 I X 8.6000 2.206E-01 I X 8.8000 2.416E-01 I X 9.0000 2.609E-01 I X 9.2000 2.786E-01 I X 9.4000 2.945E-01 I X 9.6000 3.088E-01 I X 9.8000 3.213E-01 I X 10.0000 3.321E-01 I X 10.2500 3.434E-01 I X 10.5000 3.522E-01 I X 10.7500 3.587E-01 I X 11.0000 3.630E-01 I X 11.2500 3.652E-01 I X 11.5000 3.656E-01 I X 11.7500 3.642E-01 I X 12.0000 3.613E-01 I X 12.2500 3.570E-01 I X 12.5000 3.514E-01 I X 12.7500 3.447E-01 I X 13.0000 3.370E-01 I X 13.2500 3.285E-01 I X 13.5000 3.193E-01 I X 13.7500 3.096E-01 I X 14.0000 2.994E-01 I X 14.2500 2.889E-01 I X 14.5000 2.781E-01 I X 14.7500 2.672E-01 I X 15.0000 2.561E-01 I X 15.5000 2.341E-01 I X 16.0000 2.125E-01 I X 16.5000 1.916E-01 I X 17.0000 1.718E-01 I X 17.5000 1.532E-01 I X 18.0000 1.360E-01 I X 18.5000 1.201E-01 I X 19.0000 1.056E-01 I X 19.5000 9.254E-02 I X 20.0000 8.077E-02 I X 20.5000 7.025E-02 I X 21.0000 6.089E-02 I X 21.5000 5.262E-02 I X 22.0000 4.534E-02 I X 22.5000 3.896E-02 I X 23.0000 3.339E-02 I X 23.5000 2.854E-02 I X 24.0000 2.434E-02 I X 24.5000 2.072E-02 I X 25.0000 1.759E-02 I X 25.5000 1.491E-02 I X 26.0000 1.261E-02 I X 26.5000 1.064E-02 I X 27.0000 8.967E-03 IX 27.5000 7.543E-03 IX 28.0000 6.335E-03 IX 28.5000 5.312E-03 IX 29.0000 4.448E-03 IX 29.5000 3.719E-03 IX 0.0 0.0 0.0 0.0 4 d8 7p d8 7p 141955.7 125001.6 17000.0 4 28.01 CONFIG=d8 7p d8 L=1 ELIM= 161648.800 N= 7 E= 141955.700 E= -0.17945674 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 9600 NSAVE= 9600 IRREG=0 IFITER=99 NNODES= 5 NUMR 9061 NUMS 9061 NUML 9596 RS 27.013 RL 0.250 DEL -2.97511075 RSCALE 1.50000000 DEL -2.33221032 RSCALE 1.51470320 DEL -1.77514507 RSCALE 1.52955052 DEL -1.28679348 RSCALE 1.54454338 DEL -0.85424747 RSCALE 1.55968321 DEL -0.46745109 RSCALE 1.57497143 DEL -0.11844180 RSCALE 1.59040951 DEL -0.00812614 RSCALE 1.59564867 DEL -0.00014891 RSCALE 1.59603460 DEL -0.00000021 RSCALE 1.59604180 DEL -0.00000001 RSCALE 1.59604181 CNORM= 9.96191E-01 0.0500 2.083E-02 I X 0.1000 3.873E-02 I X 0.1500 3.551E-02 I X 0.2000 1.715E-02 I X 0.2500 -6.918E-03 XI 0.3000 -2.956E-02 X I 0.3500 -4.672E-02 X I 0.4000 -5.675E-02 X I 0.4500 -5.962E-02 X I 0.5000 -5.619E-02 X I 0.5500 -4.774E-02 X I 0.6000 -3.562E-02 X I 0.6500 -2.115E-02 X I 0.7000 -5.449E-03 XI 0.7500 1.054E-02 I X 0.8000 2.608E-02 I X 0.8500 4.062E-02 I X 0.9000 5.376E-02 I X 0.9500 6.525E-02 I X 1.0000 7.493E-02 I X 1.1000 8.868E-02 I X 1.2000 9.518E-02 I X 1.3000 9.516E-02 I X 1.4000 8.966E-02 I X 1.5000 7.974E-02 I X 1.6000 6.644E-02 I X 1.7000 5.069E-02 I X 1.8000 3.330E-02 I X 1.9000 1.496E-02 I X 2.0000 -3.772E-03 XI 2.1000 -2.242E-02 X I 2.2000 -4.062E-02 X I 2.3000 -5.808E-02 X I 2.4000 -7.457E-02 X I 2.5000 -8.990E-02 X I 2.6000 -1.040E-01 X I 2.7000 -1.166E-01 X I 2.8000 -1.279E-01 X I 2.9000 -1.376E-01 X I 3.0000 -1.459E-01 X I 3.1000 -1.527E-01 X I 3.2000 -1.579E-01 X I 3.3000 -1.617E-01 X I 3.4000 -1.641E-01 X I 3.5000 -1.650E-01 X I 3.6000 -1.646E-01 X I 3.7000 -1.629E-01 X I 3.8000 -1.599E-01 X I 3.9000 -1.558E-01 X I 4.0000 -1.505E-01 X I 4.1000 -1.442E-01 X I 4.2000 -1.370E-01 X I 4.3000 -1.288E-01 X I 4.4000 -1.198E-01 X I 4.5000 -1.100E-01 X I 4.6000 -9.955E-02 X I 4.7000 -8.852E-02 X I 4.8000 -7.698E-02 X I 4.9000 -6.499E-02 X I 5.0000 -5.265E-02 X I 5.2000 -2.719E-02 X I 5.4000 -1.164E-03 X 5.6000 2.489E-02 I X 5.8000 5.048E-02 I X 6.0000 7.516E-02 I X 6.2000 9.855E-02 I X 6.4000 1.203E-01 I X 6.6000 1.402E-01 I X 6.8000 1.579E-01 I X 7.0000 1.733E-01 I X 7.2000 1.863E-01 I X 7.4000 1.968E-01 I X 7.6000 2.047E-01 I X 7.8000 2.101E-01 I X 8.0000 2.130E-01 I X 8.2000 2.134E-01 I X 8.4000 2.114E-01 I X 8.6000 2.071E-01 I X 8.8000 2.007E-01 I X 9.0000 1.923E-01 I X 9.2000 1.821E-01 I X 9.4000 1.702E-01 I X 9.6000 1.567E-01 I X 9.8000 1.419E-01 I X 10.0000 1.259E-01 I X 10.2500 1.045E-01 I X 10.5000 8.191E-02 I X 10.7500 5.834E-02 I X 11.0000 3.413E-02 I X 11.2500 9.555E-03 I X 11.5000 -1.511E-02 X I 11.7500 -3.964E-02 X I 12.0000 -6.380E-02 X I 12.2500 -8.741E-02 X I 12.5000 -1.103E-01 X I 12.7500 -1.323E-01 X I 13.0000 -1.533E-01 X I 13.2500 -1.732E-01 X I 13.5000 -1.918E-01 X I 13.7500 -2.093E-01 X I 14.0000 -2.254E-01 X I 14.2500 -2.401E-01 X I 14.5000 -2.535E-01 X I 14.7500 -2.655E-01 X I 15.0000 -2.761E-01 X I 15.5000 -2.933E-01 X I 16.0000 -3.054E-01 X I 16.5000 -3.127E-01 X I 17.0000 -3.157E-01 X I 17.5000 -3.148E-01 X I 18.0000 -3.105E-01 X I 18.5000 -3.034E-01 X I 19.0000 -2.940E-01 X I 19.5000 -2.827E-01 X I 20.0000 -2.699E-01 X I 20.5000 -2.561E-01 X I 21.0000 -2.416E-01 X I 21.5000 -2.267E-01 X I 22.0000 -2.116E-01 X I 22.5000 -1.967E-01 X I 23.0000 -1.820E-01 X I 23.5000 -1.677E-01 X I 24.0000 -1.540E-01 X I 24.5000 -1.409E-01 X I 25.0000 -1.285E-01 X I 25.5000 -1.168E-01 X I 26.0000 -1.059E-01 X I 26.5000 -9.567E-02 X I 27.0000 -8.624E-02 X I 27.5000 -7.753E-02 X I 28.0000 -6.954E-02 X I 28.5000 -6.223E-02 X I 29.0000 -5.557E-02 X I 29.5000 -4.951E-02 X I 30.0000 -4.403E-02 X I 31.0000 -3.462E-02 X I 32.0000 -2.703E-02 X I 33.0000 -2.096E-02 X I 34.0000 -1.616E-02 X I 35.0000 -1.239E-02 X I 36.0000 -9.450E-03 X I 37.0000 -7.172E-03 XI 38.0000 -5.418E-03 XI 39.0000 -4.076E-03 XI 0.0 0.0 0.0 0.0 5 d8 8p d8 8p 146624.2 129677.2 17000.0 5 28.01 CONFIG=d8 8p d8 L=1 ELIM= 161648.800 N= 8 E= 146624.200 E= -0.13691424 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 11200 NSAVE=11200 IRREG=0 IFITER=99 NNODES= 6 NUMR 10661 NUMS 10661 NUML 11196 RS 27.013 RL 0.250 DEL -32.96811665 RSCALE 1.50000000 DEL -26.98278169 RSCALE 1.51470320 DEL -22.42819711 RSCALE 1.52955052 DEL -18.87530914 RSCALE 1.54454338 DEL -16.04550330 RSCALE 1.55968321 DEL -13.75152255 RSCALE 1.57497143 DEL -11.86349881 RSCALE 1.59040951 DEL -10.28893441 RSCALE 1.60599892 DEL -8.96042153 RSCALE 1.62174113 DEL -7.82784687 RSCALE 1.63763766 DEL -6.85329508 RSCALE 1.65369000 DEL -6.00762946 RSCALE 1.66989969 DEL -5.26814539 RSCALE 1.68626827 DEL -4.61692677 RSCALE 1.70279730 DEL -4.03967413 RSCALE 1.71948835 DEL -3.52485496 RSCALE 1.73634300 DEL -3.06307872 RSCALE 1.75336287 DEL -2.64663081 RSCALE 1.77054957 DEL -2.26912061 RSCALE 1.78790473 DEL -1.92521276 RSCALE 1.80543001 DEL -1.61041968 RSCALE 1.82312708 DEL -1.32093985 RSCALE 1.84099762 DEL -1.05353048 RSCALE 1.85904332 DEL -0.80540640 RSCALE 1.87726591 DEL -0.57415906 RSCALE 1.89566713 DEL -0.35769103 RSCALE 1.91424871 DEL -0.15416257 RSCALE 1.93301243 DEL -0.00883128 RSCALE 1.94722501 DEL -0.00022495 RSCALE 1.94808866 DEL -0.00000033 RSCALE 1.94811123 DEL 0.00000000 RSCALE 1.94811126 CNORM= 9.96327E-01 0.0500 1.764E-02 I X 0.1000 3.197E-02 I X 0.1500 2.755E-02 I X 0.2000 1.036E-02 I X 0.2500 -1.071E-02 X I 0.3000 -2.913E-02 X I 0.3500 -4.143E-02 X I 0.4000 -4.653E-02 X I 0.4500 -4.488E-02 X I 0.5000 -3.771E-02 X I 0.5500 -2.657E-02 X I 0.6000 -1.302E-02 X I 0.6500 1.582E-03 X 0.7000 1.609E-02 I X 0.7500 2.965E-02 I X 0.8000 4.163E-02 I X 0.8500 5.164E-02 I X 0.9000 5.944E-02 I X 0.9500 6.496E-02 I X 1.0000 6.822E-02 I X 1.1000 6.845E-02 I X 1.2000 6.152E-02 I X 1.3000 4.917E-02 I X 1.4000 3.312E-02 I X 1.5000 1.493E-02 I X 1.6000 -4.116E-03 XI 1.7000 -2.298E-02 X I 1.8000 -4.089E-02 X I 1.9000 -5.729E-02 X I 2.0000 -7.179E-02 X I 2.1000 -8.417E-02 X I 2.2000 -9.430E-02 X I 2.3000 -1.022E-01 X I 2.4000 -1.078E-01 X I 2.5000 -1.112E-01 X I 2.6000 -1.127E-01 X I 2.7000 -1.122E-01 X I 2.8000 -1.100E-01 X I 2.9000 -1.061E-01 X I 3.0000 -1.009E-01 X I 3.1000 -9.430E-02 X I 3.2000 -8.663E-02 X I 3.3000 -7.799E-02 X I 3.4000 -6.852E-02 X I 3.5000 -5.836E-02 X I 3.6000 -4.764E-02 X I 3.7000 -3.648E-02 X I 3.8000 -2.501E-02 X I 3.9000 -1.332E-02 X I 4.0000 -1.532E-03 X 4.1000 1.027E-02 I X 4.2000 2.200E-02 I X 4.3000 3.357E-02 I X 4.4000 4.491E-02 I X 4.5000 5.594E-02 I X 4.6000 6.660E-02 I X 4.7000 7.683E-02 I X 4.8000 8.658E-02 I X 4.9000 9.580E-02 I X 5.0000 1.045E-01 I X 5.2000 1.199E-01 I X 5.4000 1.327E-01 I X 5.6000 1.426E-01 I X 5.8000 1.496E-01 I X 6.0000 1.537E-01 I X 6.2000 1.548E-01 I X 6.4000 1.532E-01 I X 6.6000 1.488E-01 I X 6.8000 1.419E-01 I X 7.0000 1.327E-01 I X 7.2000 1.215E-01 I X 7.4000 1.083E-01 I X 7.6000 9.363E-02 I X 7.8000 7.759E-02 I X 8.0000 6.048E-02 I X 8.2000 4.257E-02 I X 8.4000 2.412E-02 I X 8.6000 5.360E-03 IX 8.8000 -1.346E-02 X I 9.0000 -3.213E-02 X I 9.2000 -5.043E-02 X I 9.4000 -6.819E-02 X I 9.6000 -8.522E-02 X I 9.8000 -1.014E-01 X I 10.0000 -1.165E-01 X I 10.2500 -1.338E-01 X I 10.5000 -1.492E-01 X I 10.7500 -1.624E-01 X I 11.0000 -1.735E-01 X I 11.2500 -1.823E-01 X I 11.5000 -1.887E-01 X I 11.7500 -1.929E-01 X I 12.0000 -1.948E-01 X I 12.2500 -1.944E-01 X I 12.5000 -1.920E-01 X I 12.7500 -1.874E-01 X I 13.0000 -1.810E-01 X I 13.2500 -1.728E-01 X I 13.5000 -1.629E-01 X I 13.7500 -1.514E-01 X I 14.0000 -1.387E-01 X I 14.2500 -1.247E-01 X I 14.5000 -1.097E-01 X I 14.7500 -9.379E-02 X I 15.0000 -7.716E-02 X I 15.5000 -4.228E-02 X I 16.0000 -6.209E-03 XI 16.5000 3.004E-02 I X 17.0000 6.556E-02 I X 17.5000 9.960E-02 I X 18.0000 1.315E-01 I X 18.5000 1.609E-01 I X 19.0000 1.873E-01 I X 19.5000 2.105E-01 I X 20.0000 2.304E-01 I X 20.5000 2.469E-01 I X 21.0000 2.602E-01 I X 21.5000 2.703E-01 I X 22.0000 2.774E-01 I X 22.5000 2.816E-01 I X 23.0000 2.833E-01 I X 23.5000 2.826E-01 I X 24.0000 2.798E-01 I X 24.5000 2.751E-01 I X 25.0000 2.689E-01 I X 25.5000 2.613E-01 I X 26.0000 2.527E-01 I X 26.5000 2.431E-01 I X 27.0000 2.329E-01 I X 27.5000 2.221E-01 I X 28.0000 2.111E-01 I X 28.5000 1.998E-01 I X 29.0000 1.886E-01 I X 29.5000 1.773E-01 I X 30.0000 1.663E-01 I X 31.0000 1.449E-01 I X 32.0000 1.250E-01 I X 33.0000 1.068E-01 I X 34.0000 9.048E-02 I X 35.0000 7.604E-02 I X 36.0000 6.344E-02 I X 37.0000 5.258E-02 I X 38.0000 4.330E-02 I X 39.0000 3.546E-02 I X 40.0000 2.887E-02 I X 41.0000 2.340E-02 I X 42.0000 1.887E-02 I X 43.0000 1.515E-02 I X 44.0000 1.211E-02 I X 45.0000 9.642E-03 I X 46.0000 7.649E-03 IX 47.0000 6.047E-03 IX 48.0000 4.764E-03 IX 49.0000 3.741E-03 IX 50.0000 2.929E-03 IX 0.0 0.0 0.0 0.0 6 d8 9p d8 9p 148059.6 132550.1 17000.0 6 28.01 CONFIG=d8 9p d8 L=1 ELIM= 161648.800 N= 9 E= 148059.600 E= -0.12383391 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 11800 NSAVE=11800 IRREG=0 IFITER=99 NNODES= 7 NUMR 11261 NUMS 11261 NUML 11796 RS 27.013 RL 0.250 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 RMAX -1.00000000 RMIN 1.54500000 RSCALE 1.59135000 RMAX -1.00000000 RMIN 1.59135000 RSCALE 1.63909050 RMAX -1.00000000 RMIN 1.63909050 RSCALE 1.68826322 RMAX -1.00000000 RMIN 1.68826322 RSCALE 1.73891111 RMAX -1.00000000 RMIN 1.73891111 RSCALE 1.79107844 RMAX -1.00000000 RMIN 1.79107844 RSCALE 1.84481080 RMAX -1.00000000 RMIN 1.84481080 RSCALE 1.90015512 RMAX -1.00000000 RMIN 1.90015512 RSCALE 1.95715978 RMAX -1.00000000 RMIN 1.95715978 RSCALE 2.01587457 RMAX -1.00000000 RMIN 2.01587457 RSCALE 2.07635081 RMAX -1.00000000 RMIN 2.07635081 RSCALE 2.13864133 RMAX -1.00000000 RMIN 2.13864133 RSCALE 2.20280057 RMAX -1.00000000 RMIN 2.20280057 RSCALE 2.26888459 RMAX -1.00000000 RMIN 2.26888459 RSCALE 2.33695112 RMAX -1.00000000 RMIN 2.33695112 RSCALE 2.40705966 DEL -16.86545025 RSCALE 2.40705966 DEL -12.04932163 RSCALE 2.43065398 DEL -9.19430785 RSCALE 2.45447958 DEL -7.30020011 RSCALE 2.47853871 DEL -5.94816518 RSCALE 2.50283368 DEL -4.93191019 RSCALE 2.52736679 DEL -4.13802676 RSCALE 2.55214038 DEL -3.49898960 RSCALE 2.57715680 DEL -2.97207230 RSCALE 2.60241844 DEL -2.52891128 RSCALE 2.62792769 DEL -2.14992937 RSCALE 2.65368699 DEL -1.82117004 RSCALE 2.67969879 DEL -1.53240804 RSCALE 2.70596556 DEL -1.27597287 RSCALE 2.73248979 DEL -1.04599103 RSCALE 2.75927402 DEL -0.83788139 RSCALE 2.78632080 DEL -0.64801121 RSCALE 2.81363269 DEL -0.47345526 RSCALE 2.84121229 DEL -0.31182383 RSCALE 2.86906224 DEL -0.16113743 RSCALE 2.89718517 DEL -0.01973382 RSCALE 2.92558377 DEL -0.00076049 RSCALE 2.92954698 DEL -0.00000364 RSCALE 2.92970583 DEL 0.00000000 RSCALE 2.92970660 CNORM= 9.94562E-01 0.0500 1.648E-02 I X 0.1000 2.862E-02 I X 0.1500 2.201E-02 I X 0.2000 3.770E-03 IX 0.2500 -1.631E-02 X I 0.3000 -3.144E-02 X I 0.3500 -3.858E-02 X I 0.4000 -3.746E-02 X I 0.4500 -2.952E-02 X I 0.5000 -1.695E-02 X I 0.5500 -2.054E-03 X 0.6000 1.312E-02 I X 0.6500 2.697E-02 I X 0.7000 3.834E-02 I X 0.7500 4.657E-02 I X 0.8000 5.134E-02 I X 0.8500 5.268E-02 I X 0.9000 5.082E-02 I X 0.9500 4.614E-02 I X 1.0000 3.913E-02 I X 1.1000 2.018E-02 I X 1.2000 -2.007E-03 X 1.3000 -2.400E-02 X I 1.4000 -4.328E-02 X I 1.5000 -5.825E-02 X I 1.6000 -6.811E-02 X I 1.7000 -7.269E-02 X I 1.8000 -7.226E-02 X I 1.9000 -6.739E-02 X I 2.0000 -5.879E-02 X I 2.1000 -4.728E-02 X I 2.2000 -3.364E-02 X I 2.3000 -1.863E-02 X I 2.4000 -2.921E-03 XI 2.5000 1.289E-02 I X 2.6000 2.832E-02 I X 2.7000 4.295E-02 I X 2.8000 5.646E-02 I X 2.9000 6.862E-02 I X 3.0000 7.926E-02 I X 3.1000 8.826E-02 I X 3.2000 9.557E-02 I X 3.3000 1.012E-01 I X 3.4000 1.051E-01 I X 3.5000 1.073E-01 I X 3.6000 1.080E-01 I X 3.7000 1.072E-01 I X 3.8000 1.050E-01 I X 3.9000 1.015E-01 I X 4.0000 9.679E-02 I X 4.1000 9.104E-02 I X 4.2000 8.433E-02 I X 4.3000 7.679E-02 I X 4.4000 6.851E-02 I X 4.5000 5.962E-02 I X 4.6000 5.021E-02 I X 4.7000 4.039E-02 I X 4.8000 3.024E-02 I X 4.9000 1.987E-02 I X 5.0000 9.346E-03 I X 5.2000 -1.182E-02 X I 5.4000 -3.268E-02 X I 5.6000 -5.275E-02 X I 5.8000 -7.162E-02 X I 6.0000 -8.894E-02 X I 6.2000 -1.044E-01 X I 6.4000 -1.179E-01 X I 6.6000 -1.292E-01 X I 6.8000 -1.382E-01 X I 7.0000 -1.448E-01 X I 7.2000 -1.491E-01 X I 7.4000 -1.510E-01 X I 7.6000 -1.506E-01 X I 7.8000 -1.480E-01 X I 8.0000 -1.433E-01 X I 8.2000 -1.366E-01 X I 8.4000 -1.281E-01 X I 8.6000 -1.180E-01 X I 8.8000 -1.063E-01 X I 9.0000 -9.337E-02 X I 9.2000 -7.932E-02 X I 9.4000 -6.437E-02 X I 9.6000 -4.869E-02 X I 9.8000 -3.248E-02 X I 10.0000 -1.593E-02 X I 10.2500 4.964E-03 IX 10.5000 2.579E-02 I X 10.7500 4.622E-02 I X 11.0000 6.600E-02 I X 11.2500 8.485E-02 I X 11.5000 1.026E-01 I X 11.7500 1.189E-01 I X 12.0000 1.338E-01 I X 12.2500 1.471E-01 I X 12.5000 1.586E-01 I X 12.7500 1.683E-01 I X 13.0000 1.761E-01 I X 13.2500 1.820E-01 I X 13.5000 1.861E-01 I X 13.7500 1.882E-01 I X 14.0000 1.885E-01 I X 14.2500 1.871E-01 I X 14.5000 1.839E-01 I X 14.7500 1.791E-01 I X 15.0000 1.727E-01 I X 15.5000 1.558E-01 I X 16.0000 1.339E-01 I X 16.5000 1.081E-01 I X 17.0000 7.926E-02 I X 17.5000 4.837E-02 I X 18.0000 1.628E-02 I X 18.5000 -1.620E-02 X I 19.0000 -4.833E-02 X I 19.5000 -7.949E-02 X I 20.0000 -1.091E-01 X I 20.5000 -1.369E-01 X I 21.0000 -1.623E-01 X I 21.5000 -1.853E-01 X I 22.0000 -2.055E-01 X I 22.5000 -2.230E-01 X I 23.0000 -2.378E-01 X I 23.5000 -2.497E-01 X I 24.0000 -2.590E-01 X I 24.5000 -2.658E-01 X I 25.0000 -2.702E-01 X I 25.5000 -2.723E-01 X I 26.0000 -2.724E-01 X I 26.5000 -2.707E-01 X I 27.0000 -2.673E-01 X I 27.5000 -2.624E-01 X I 28.0000 -2.564E-01 X I 28.5000 -2.492E-01 X I 29.0000 -2.412E-01 X I 29.5000 -2.325E-01 X I 30.0000 -2.233E-01 X I 31.0000 -2.036E-01 X I 32.0000 -1.834E-01 X I 33.0000 -1.632E-01 X I 34.0000 -1.438E-01 X I 35.0000 -1.255E-01 X I 36.0000 -1.086E-01 X I 37.0000 -9.323E-02 X I 38.0000 -7.946E-02 X I 39.0000 -6.727E-02 X I 40.0000 -5.660E-02 X I 41.0000 -4.735E-02 X I 42.0000 -3.939E-02 X I 43.0000 -3.261E-02 X I 44.0000 -2.687E-02 X I 45.0000 -2.203E-02 X I 46.0000 -1.800E-02 X I 47.0000 -1.464E-02 X I 48.0000 -1.187E-02 X I 49.0000 -9.582E-03 X I 50.0000 -7.712E-03 X I 52.0000 -4.948E-03 XI 54.0000 -3.138E-03 XI 0.0 0.0 0.0 0.0 7 d8 10p d8 10p 151442.0 134442.0 FIXEDHF 17000.0 7 28.01 CONFIG=d8 10p d8 L=1 ELIM= 161648.800 N=10 E= 151442.000 E= -0.09301121 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 13900 NSAVE=13900 IRREG=0 IFITER=99 NNODES= 8 NUMR 13361 NUMS 13361 NUML 13896 RS 27.013 RL 0.250 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 RMAX -1.00000000 RMIN 1.54500000 RSCALE 1.59135000 RMAX -1.00000000 RMIN 1.59135000 RSCALE 1.63909050 RMAX -1.00000000 RMIN 1.63909050 RSCALE 1.68826322 RMAX -1.00000000 RMIN 1.68826322 RSCALE 1.73891111 RMAX -1.00000000 RMIN 1.73891111 RSCALE 1.79107844 RMAX -1.00000000 RMIN 1.79107844 RSCALE 1.84481080 RMAX -1.00000000 RMIN 1.84481080 RSCALE 1.90015512 RMAX -1.00000000 RMIN 1.90015512 RSCALE 1.95715978 RMAX -1.00000000 RMIN 1.95715978 RSCALE 2.01587457 RMAX -1.00000000 RMIN 2.01587457 RSCALE 2.07635081 RMAX -1.00000000 RMIN 2.07635081 RSCALE 2.13864133 RMAX -1.00000000 RMIN 2.13864133 RSCALE 2.20280057 RMAX -1.00000000 RMIN 2.20280057 RSCALE 2.26888459 RMAX -1.00000000 RMIN 2.26888459 RSCALE 2.33695112 RMAX -1.00000000 RMIN 2.33695112 RSCALE 2.40705966 RMAX -1.00000000 RMIN 2.40705966 RSCALE 2.47927145 RMAX -1.00000000 RMIN 2.47927145 RSCALE 2.55364959 DEL -85.74786725 RSCALE 2.55364959 DEL -28.92132181 RSCALE 2.57868081 DEL -21.37166969 RSCALE 2.59142020 DEL -13.80899409 RSCALE 2.61682165 DEL -9.97374996 RSCALE 2.64247209 DEL -7.64789851 RSCALE 2.66837395 DEL -6.08199093 RSCALE 2.69452971 DEL -4.95230140 RSCALE 2.72094185 DEL -4.09610875 RSCALE 2.74761289 DEL -3.42265600 RSCALE 2.77454536 DEL -2.87731516 RSCALE 2.80174183 DEL -2.42522492 RSCALE 2.82920487 DEL -2.04308209 RSCALE 2.85693712 DEL -1.71470865 RSCALE 2.88494120 DEL -1.42851346 RSCALE 2.91321978 DEL -1.17596567 RSCALE 2.94177555 DEL -0.95063928 RSCALE 2.97061123 DEL -0.74759339 RSCALE 2.99972956 DEL -0.56295845 RSCALE 3.02913331 DEL -0.39365233 RSCALE 3.05882528 DEL -0.23718091 RSCALE 3.08880830 DEL -0.09149503 RSCALE 3.11908521 DEL -0.00540771 RSCALE 3.13810000 DEL -0.00012607 RSCALE 3.13929445 DEL -0.00000018 RSCALE 3.13932296 DEL 0.00000000 RSCALE 3.13932299 CNORM= 9.96691E-01 0.0500 1.336E-02 I X 0.1000 2.307E-02 I X 0.1500 1.743E-02 I X 0.2000 2.417E-03 IX 0.2500 -1.385E-02 X I 0.3000 -2.582E-02 X I 0.3500 -3.104E-02 X I 0.4000 -2.942E-02 X I 0.4500 -2.227E-02 X I 0.5000 -1.150E-02 X I 0.5500 9.070E-04 X 0.6000 1.324E-02 I X 0.6500 2.416E-02 I X 0.7000 3.277E-02 I X 0.7500 3.856E-02 I X 0.8000 4.136E-02 I X 0.8500 4.124E-02 I X 0.9000 3.849E-02 I X 0.9500 3.349E-02 I X 1.0000 2.670E-02 I X 1.1000 9.638E-03 I X 1.2000 -9.091E-03 X I 1.3000 -2.659E-02 X I 1.4000 -4.087E-02 X I 1.5000 -5.077E-02 X I 1.6000 -5.588E-02 X I 1.7000 -5.632E-02 X I 1.8000 -5.255E-02 X I 1.9000 -4.529E-02 X I 2.0000 -3.530E-02 X I 2.1000 -2.341E-02 X I 2.2000 -1.036E-02 X I 2.3000 3.152E-03 IX 2.4000 1.655E-02 I X 2.5000 2.934E-02 I X 2.6000 4.115E-02 I X 2.7000 5.168E-02 I X 2.8000 6.073E-02 I X 2.9000 6.817E-02 I X 3.0000 7.394E-02 I X 3.1000 7.802E-02 I X 3.2000 8.045E-02 I X 3.3000 8.128E-02 I X 3.4000 8.060E-02 I X 3.5000 7.852E-02 I X 3.6000 7.515E-02 I X 3.7000 7.064E-02 I X 3.8000 6.510E-02 I X 3.9000 5.867E-02 I X 4.0000 5.148E-02 I X 4.1000 4.366E-02 I X 4.2000 3.533E-02 I X 4.3000 2.661E-02 I X 4.4000 1.761E-02 I X 4.5000 8.428E-03 I X 4.6000 -8.312E-04 X 4.7000 -1.008E-02 X I 4.8000 -1.925E-02 X I 4.9000 -2.825E-02 X I 5.0000 -3.703E-02 X I 5.2000 -5.366E-02 X I 5.4000 -6.875E-02 X I 5.6000 -8.199E-02 X I 5.8000 -9.317E-02 X I 6.0000 -1.021E-01 X I 6.2000 -1.088E-01 X I 6.4000 -1.132E-01 X I 6.6000 -1.152E-01 X I 6.8000 -1.150E-01 X I 7.0000 -1.127E-01 X I 7.2000 -1.084E-01 X I 7.4000 -1.022E-01 X I 7.6000 -9.432E-02 X I 7.8000 -8.493E-02 X I 8.0000 -7.422E-02 X I 8.2000 -6.239E-02 X I 8.4000 -4.966E-02 X I 8.6000 -3.621E-02 X I 8.8000 -2.227E-02 X I 9.0000 -8.032E-03 X I 9.2000 6.315E-03 IX 9.4000 2.058E-02 I X 9.6000 3.460E-02 I X 9.8000 4.819E-02 I X 10.0000 6.122E-02 I X 10.2500 7.651E-02 I X 10.5000 9.047E-02 I X 10.7500 1.029E-01 I X 11.0000 1.137E-01 I X 11.2500 1.226E-01 I X 11.5000 1.297E-01 I X 11.7500 1.348E-01 I X 12.0000 1.380E-01 I X 12.2500 1.392E-01 I X 12.5000 1.385E-01 I X 12.7500 1.359E-01 I X 13.0000 1.316E-01 I X 13.2500 1.256E-01 I X 13.5000 1.181E-01 I X 13.7500 1.091E-01 I X 14.0000 9.892E-02 I X 14.2500 8.756E-02 I X 14.5000 7.522E-02 I X 14.7500 6.208E-02 I X 15.0000 4.827E-02 I X 15.5000 1.933E-02 I X 16.0000 -1.038E-02 X I 16.5000 -3.971E-02 X I 17.0000 -6.764E-02 X I 17.5000 -9.330E-02 X I 18.0000 -1.160E-01 X I 18.5000 -1.351E-01 X I 19.0000 -1.502E-01 X I 19.5000 -1.612E-01 X I 20.0000 -1.679E-01 X I 20.5000 -1.703E-01 X I 21.0000 -1.685E-01 X I 21.5000 -1.629E-01 X I 22.0000 -1.536E-01 X I 22.5000 -1.411E-01 X I 23.0000 -1.258E-01 X I 23.5000 -1.080E-01 X I 24.0000 -8.822E-02 X I 24.5000 -6.691E-02 X I 25.0000 -4.448E-02 X I 25.5000 -2.134E-02 X I 26.0000 2.130E-03 X 26.5000 2.557E-02 I X 27.0000 4.866E-02 I X 27.5000 7.112E-02 I X 28.0000 9.270E-02 I X 28.5000 1.132E-01 I X 29.0000 1.324E-01 I X 29.5000 1.502E-01 I X 30.0000 1.665E-01 I X 31.0000 1.943E-01 I X 32.0000 2.155E-01 I X 33.0000 2.303E-01 I X 34.0000 2.391E-01 I X 35.0000 2.423E-01 I X 36.0000 2.409E-01 I X 37.0000 2.354E-01 I X 38.0000 2.267E-01 I X 39.0000 2.155E-01 I X 40.0000 2.026E-01 I X 41.0000 1.885E-01 I X 42.0000 1.737E-01 I X 43.0000 1.588E-01 I X 44.0000 1.440E-01 I X 45.0000 1.297E-01 I X 46.0000 1.160E-01 I X 47.0000 1.031E-01 I X 48.0000 9.117E-02 I X 49.0000 8.016E-02 I X 50.0000 7.013E-02 I X 52.0000 5.294E-02 I X 54.0000 3.929E-02 I X 56.0000 2.873E-02 I X 58.0000 2.073E-02 I X 60.0000 1.477E-02 I X 62.0000 1.041E-02 I X 64.0000 7.256E-03 I X 66.0000 5.012E-03 IX 68.0000 3.432E-03 IX 0.0 0.0 0.0 0.0 8 d8 11p d8 11p 152755.5 135755.5 FIXEDHF 17000.0 8 28.01 CONFIG=d8 11p d8 L=1 ELIM= 161648.800 N=11 E= 152755.500 E= -0.08104172 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 15000 NSAVE=15000 IRREG=0 IFITER=99 NNODES= 9 NUMR 14461 NUMS 14461 NUML 14996 RS 27.013 RL 0.250 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 RMAX -1.00000000 RMIN 1.54500000 RSCALE 1.59135000 RMAX -1.00000000 RMIN 1.59135000 RSCALE 1.63909050 RMAX -1.00000000 RMIN 1.63909050 RSCALE 1.68826322 RMAX -1.00000000 RMIN 1.68826322 RSCALE 1.73891111 RMAX -1.00000000 RMIN 1.73891111 RSCALE 1.79107844 RMAX -1.00000000 RMIN 1.79107844 RSCALE 1.84481080 RMAX -1.00000000 RMIN 1.84481080 RSCALE 1.90015512 RMAX -1.00000000 RMIN 1.90015512 RSCALE 1.95715978 RMAX -1.00000000 RMIN 1.95715978 RSCALE 2.01587457 RMAX -1.00000000 RMIN 2.01587457 RSCALE 2.07635081 RMAX -1.00000000 RMIN 2.07635081 RSCALE 2.13864133 RMAX -1.00000000 RMIN 2.13864133 RSCALE 2.20280057 RMAX -1.00000000 RMIN 2.20280057 RSCALE 2.26888459 RMAX -1.00000000 RMIN 2.26888459 RSCALE 2.33695112 RMAX -1.00000000 RMIN 2.33695112 RSCALE 2.40705966 RMAX -1.00000000 RMIN 2.40705966 RSCALE 2.47927145 RMAX -1.00000000 RMIN 2.47927145 RSCALE 2.55364959 RMAX -1.00000000 RMIN 2.55364959 RSCALE 2.63025908 RMAX -1.00000000 RMIN 2.63025908 RSCALE 2.70916685 RMAX -1.00000000 RMIN 2.70916685 RSCALE 2.79044186 RMAX -1.00000000 RMIN 2.79044186 RSCALE 2.87415511 RMAX -1.00000000 RMIN 2.87415511 RSCALE 2.96037977 RMAX -1.00000000 RMIN 2.96037977 RSCALE 3.04919116 RMAX -1.00000000 RMIN 3.04919116 RSCALE 3.14066689 RMAX -1.00000000 RMIN 3.14066689 RSCALE 3.23488690 RMAX -1.00000000 RMIN 3.23488690 RSCALE 3.33193351 RMAX -1.00000000 RMIN 3.33193351 RSCALE 3.43189151 DEL -412.35178285 RSCALE 3.43189151 DEL -25.90550645 RSCALE 3.46553137 DEL -24.31395768 RSCALE 3.46778643 DEL -12.34596231 RSCALE 3.50177814 DEL -7.98838450 RSCALE 3.53610304 DEL -5.72227893 RSCALE 3.57076439 DEL -4.32622376 RSCALE 3.60576550 DEL -3.37488501 RSCALE 3.64110970 DEL -2.68128114 RSCALE 3.67680034 DEL -2.15031581 RSCALE 3.71284083 DEL -1.72849305 RSCALE 3.74923460 DEL -1.38339574 RSCALE 3.78598510 DEL -1.09421967 RSCALE 3.82309583 DEL -0.84698675 RSCALE 3.86057033 DEL -0.63194397 RSCALE 3.89841216 DEL -0.44206576 RSCALE 3.93662491 DEL -0.27214927 RSCALE 3.97521224 DEL -0.11824529 RSCALE 4.01417780 DEL -0.00983656 RSCALE 4.04411526 DEL -0.00037005 RSCALE 4.04683167 DEL -0.00000118 RSCALE 4.04693785 DEL 0.00000000 RSCALE 4.04693819 CNORM= 9.96123E-01 0.0500 1.215E-02 I X 0.1000 2.057E-02 I X 0.1500 1.465E-02 I X 0.2000 3.851E-04 X 0.2500 -1.431E-02 X I 0.3000 -2.419E-02 X I 0.3500 -2.718E-02 X I 0.4000 -2.361E-02 X I 0.4500 -1.512E-02 X I 0.5000 -3.887E-03 XI 0.5500 7.999E-03 I X 0.6000 1.881E-02 I X 0.6500 2.732E-02 I X 0.7000 3.282E-02 I X 0.7500 3.505E-02 I X 0.8000 3.410E-02 I X 0.8500 3.035E-02 I X 0.9000 2.430E-02 I X 0.9500 1.657E-02 I X 1.0000 7.778E-03 I X 1.1000 -1.066E-02 X I 1.2000 -2.706E-02 X I 1.3000 -3.882E-02 X I 1.4000 -4.470E-02 X I 1.5000 -4.460E-02 X I 1.6000 -3.918E-02 X I 1.7000 -2.959E-02 X I 1.8000 -1.716E-02 X I 1.9000 -3.244E-03 XI 2.0000 1.094E-02 I X 2.1000 2.438E-02 I X 2.2000 3.626E-02 I X 2.3000 4.604E-02 I X 2.4000 5.335E-02 I X 2.5000 5.804E-02 I X 2.6000 6.010E-02 I X 2.7000 5.965E-02 I X 2.8000 5.688E-02 I X 2.9000 5.207E-02 I X 3.0000 4.551E-02 I X 3.1000 3.754E-02 I X 3.2000 2.847E-02 I X 3.3000 1.863E-02 I X 3.4000 8.315E-03 I X 3.5000 -2.203E-03 XI 3.6000 -1.267E-02 X I 3.7000 -2.288E-02 X I 3.8000 -3.264E-02 X I 3.9000 -4.178E-02 X I 4.0000 -5.019E-02 X I 4.1000 -5.776E-02 X I 4.2000 -6.441E-02 X I 4.3000 -7.010E-02 X I 4.4000 -7.479E-02 X I 4.5000 -7.846E-02 X I 4.6000 -8.111E-02 X I 4.7000 -8.277E-02 X I 4.8000 -8.345E-02 X I 4.9000 -8.320E-02 X I 5.0000 -8.205E-02 X I 5.2000 -7.728E-02 X I 5.4000 -6.958E-02 X I 5.6000 -5.945E-02 X I 5.8000 -4.740E-02 X I 6.0000 -3.393E-02 X I 6.2000 -1.949E-02 X I 6.4000 -4.543E-03 XI 6.6000 1.052E-02 I X 6.8000 2.535E-02 I X 7.0000 3.962E-02 I X 7.2000 5.307E-02 I X 7.4000 6.547E-02 I X 7.6000 7.664E-02 I X 7.8000 8.643E-02 I X 8.0000 9.474E-02 I X 8.2000 1.015E-01 I X 8.4000 1.066E-01 I X 8.6000 1.101E-01 I X 8.8000 1.120E-01 I X 9.0000 1.123E-01 I X 9.2000 1.110E-01 I X 9.4000 1.082E-01 I X 9.6000 1.040E-01 I X 9.8000 9.855E-02 I X 10.0000 9.185E-02 I X 10.2500 8.194E-02 I X 10.5000 7.055E-02 I X 10.7500 5.791E-02 I X 11.0000 4.428E-02 I X 11.2500 2.991E-02 I X 11.5000 1.506E-02 I X 11.7500 -2.634E-05 X 12.0000 -1.512E-02 X I 12.2500 -2.998E-02 X I 12.5000 -4.441E-02 X I 12.7500 -5.822E-02 X I 13.0000 -7.122E-02 X I 13.2500 -8.327E-02 X I 13.5000 -9.423E-02 X I 13.7500 -1.040E-01 X I 14.0000 -1.125E-01 X I 14.2500 -1.196E-01 X I 14.5000 -1.252E-01 X I 14.7500 -1.295E-01 X I 15.0000 -1.323E-01 X I 15.5000 -1.334E-01 X I 16.0000 -1.290E-01 X I 16.5000 -1.194E-01 X I 17.0000 -1.052E-01 X I 17.5000 -8.715E-02 X I 18.0000 -6.602E-02 X I 18.5000 -4.266E-02 X I 19.0000 -1.792E-02 X I 19.5000 7.383E-03 I X 20.0000 3.247E-02 I X 20.5000 5.664E-02 I X 21.0000 7.927E-02 I X 21.5000 9.983E-02 I X 22.0000 1.179E-01 I X 22.5000 1.331E-01 I X 23.0000 1.452E-01 I X 23.5000 1.541E-01 I X 24.0000 1.598E-01 I X 24.5000 1.621E-01 I X 25.0000 1.612E-01 I X 25.5000 1.573E-01 I X 26.0000 1.506E-01 I X 26.5000 1.412E-01 I X 27.0000 1.294E-01 I X 27.5000 1.156E-01 I X 28.0000 1.000E-01 I X 28.5000 8.290E-02 I X 29.0000 6.462E-02 I X 29.5000 4.546E-02 I X 30.0000 2.571E-02 I X 31.0000 -1.452E-02 X I 32.0000 -5.410E-02 X I 33.0000 -9.145E-02 X I 34.0000 -1.253E-01 X I 35.0000 -1.548E-01 X I 36.0000 -1.795E-01 X I 37.0000 -1.991E-01 X I 38.0000 -2.135E-01 X I 39.0000 -2.232E-01 X I 40.0000 -2.283E-01 X I 41.0000 -2.293E-01 X I 42.0000 -2.269E-01 X I 43.0000 -2.215E-01 X I 44.0000 -2.137E-01 X I 45.0000 -2.040E-01 X I 46.0000 -1.929E-01 X I 47.0000 -1.808E-01 X I 48.0000 -1.681E-01 X I 49.0000 -1.552E-01 X I 50.0000 -1.424E-01 X I 52.0000 -1.176E-01 X I 54.0000 -9.506E-02 X I 56.0000 -7.539E-02 X I 58.0000 -5.879E-02 X I 60.0000 -4.516E-02 X I 62.0000 -3.422E-02 X I 64.0000 -2.561E-02 X I 66.0000 -1.895E-02 X I 68.0000 -1.388E-02 X I 70.0000 -1.006E-02 X I 72.0000 -7.235E-03 X I 74.0000 -5.159E-03 XI 76.0000 -3.651E-03 XI 78.0000 -2.565E-03 XI 0.0 0.0 0.0 0.0 9 d8 12p d8 12p 153703.0 136703.0 FIXEDHF 17000.0 9 28.01 CONFIG=d8 12p d8 L=1 ELIM= 161648.800 N=12 E= 153703.000 E= -0.07240746 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 16000 NSAVE=16000 IRREG=0 IFITER=99 NNODES=10 NUMR 15461 NUMS 15461 NUML 15996 RS 27.013 RL 0.250 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 RMAX -1.00000000 RMIN 1.54500000 RSCALE 1.59135000 RMAX -1.00000000 RMIN 1.59135000 RSCALE 1.63909050 RMAX -1.00000000 RMIN 1.63909050 RSCALE 1.68826322 RMAX -1.00000000 RMIN 1.68826322 RSCALE 1.73891111 RMAX -1.00000000 RMIN 1.73891111 RSCALE 1.79107844 RMAX -1.00000000 RMIN 1.79107844 RSCALE 1.84481080 RMAX -1.00000000 RMIN 1.84481080 RSCALE 1.90015512 RMAX -1.00000000 RMIN 1.90015512 RSCALE 1.95715978 RMAX -1.00000000 RMIN 1.95715978 RSCALE 2.01587457 RMAX -1.00000000 RMIN 2.01587457 RSCALE 2.07635081 RMAX -1.00000000 RMIN 2.07635081 RSCALE 2.13864133 RMAX -1.00000000 RMIN 2.13864133 RSCALE 2.20280057 RMAX -1.00000000 RMIN 2.20280057 RSCALE 2.26888459 RMAX -1.00000000 RMIN 2.26888459 RSCALE 2.33695112 RMAX -1.00000000 RMIN 2.33695112 RSCALE 2.40705966 RMAX -1.00000000 RMIN 2.40705966 RSCALE 2.47927145 RMAX -1.00000000 RMIN 2.47927145 RSCALE 2.55364959 RMAX -1.00000000 RMIN 2.55364959 RSCALE 2.63025908 RMAX -1.00000000 RMIN 2.63025908 RSCALE 2.70916685 RMAX -1.00000000 RMIN 2.70916685 RSCALE 2.79044186 RMAX -1.00000000 RMIN 2.79044186 RSCALE 2.87415511 RMAX -1.00000000 RMIN 2.87415511 RSCALE 2.96037977 RMAX -1.00000000 RMIN 2.96037977 RSCALE 3.04919116 RMAX -1.00000000 RMIN 3.04919116 RSCALE 3.14066689 RMAX -1.00000000 RMIN 3.14066689 RSCALE 3.23488690 RMAX -1.00000000 RMIN 3.23488690 RSCALE 3.33193351 RMAX -1.00000000 RMIN 3.33193351 RSCALE 3.43189151 RMAX -1.00000000 RMIN 3.43189151 RSCALE 3.53484826 RMAX -1.00000000 RMIN 3.53484826 RSCALE 3.64089371 RMAX -1.00000000 RMIN 3.64089371 RSCALE 3.75012052 RMAX -1.00000000 RMIN 3.75012052 RSCALE 3.86262413 RMAX -1.00000000 RMIN 3.86262413 RSCALE 3.97850286 RMAX -1.00000000 RMIN 3.97850286 RSCALE 4.09785794 RMAX -1.00000000 RMIN 4.09785794 RSCALE 4.22079368 RMAX -1.00000000 RMIN 4.22079368 RSCALE 4.34741749 RMAX -1.00000000 RMIN 4.34741749 RSCALE 4.47784002 RMAX -1.00000000 RMIN 4.47784002 RSCALE 4.61217522 DEL -17.62449328 RSCALE 4.61217522 DEL -8.60019702 RSCALE 4.65738438 DEL -5.53609977 RSCALE 4.70046892 DEL -3.84263385 RSCALE 4.74654355 DEL -2.81056887 RSCALE 4.79306980 DEL -2.11049135 RSCALE 4.84005211 DEL -1.60049531 RSCALE 4.88749495 DEL -1.20935811 RSCALE 4.93540283 DEL -0.89737876 RSCALE 4.98378031 DEL -0.64065277 RSCALE 5.03263200 DEL -0.42390366 RSCALE 5.08196253 DEL -0.23689008 RSCALE 5.13177661 DEL -0.07246667 RSCALE 5.18207897 DEL -0.00624092 RSCALE 5.20424883 DEL -0.00017266 RSCALE 5.20633805 DEL -0.00000042 RSCALE 5.20639750 DEL 0.00000000 RSCALE 5.20639764 CNORM= 9.95316E-01 0.0500 1.126E-02 I X 0.1000 1.876E-02 I X 0.1500 1.269E-02 I X 0.2000 -9.379E-04 X 0.2500 -1.439E-02 X I 0.3000 -2.269E-02 X I 0.3500 -2.408E-02 X I 0.4000 -1.920E-02 X I 0.4500 -9.977E-03 X I 0.5000 1.235E-03 X 0.5500 1.228E-02 I X 0.6000 2.147E-02 I X 0.6500 2.773E-02 I X 0.7000 3.056E-02 I X 0.7500 2.996E-02 I X 0.8000 2.630E-02 I X 0.8500 2.015E-02 I X 0.9000 1.227E-02 I X 0.9500 3.395E-03 IX 1.0000 -5.735E-03 XI 1.1000 -2.231E-02 X I 1.2000 -3.375E-02 X I 1.3000 -3.830E-02 X I 1.4000 -3.591E-02 X I 1.5000 -2.772E-02 X I 1.6000 -1.550E-02 X I 1.7000 -1.238E-03 X 1.8000 1.320E-02 I X 1.9000 2.625E-02 I X 2.0000 3.679E-02 I X 2.1000 4.409E-02 I X 2.2000 4.783E-02 I X 2.3000 4.801E-02 I X 2.4000 4.491E-02 I X 2.5000 3.896E-02 I X 2.6000 3.072E-02 I X 2.7000 2.080E-02 I X 2.8000 9.830E-03 I X 2.9000 -1.613E-03 X 3.0000 -1.299E-02 X I 3.1000 -2.384E-02 X I 3.2000 -3.377E-02 X I 3.3000 -4.249E-02 X I 3.4000 -4.978E-02 X I 3.5000 -5.547E-02 X I 3.6000 -5.951E-02 X I 3.7000 -6.185E-02 X I 3.8000 -6.255E-02 X I 3.9000 -6.166E-02 X I 4.0000 -5.929E-02 X I 4.1000 -5.558E-02 X I 4.2000 -5.067E-02 X I 4.3000 -4.472E-02 X I 4.4000 -3.790E-02 X I 4.5000 -3.038E-02 X I 4.6000 -2.233E-02 X I 4.7000 -1.390E-02 X I 4.8000 -5.245E-03 XI 4.9000 3.491E-03 IX 5.0000 1.218E-02 I X 5.2000 2.893E-02 I X 5.4000 4.422E-02 I X 5.6000 5.743E-02 I X 5.8000 6.815E-02 I X 6.0000 7.613E-02 I X 6.2000 8.127E-02 I X 6.4000 8.358E-02 I X 6.6000 8.317E-02 I X 6.8000 8.024E-02 I X 7.0000 7.503E-02 I X 7.2000 6.780E-02 I X 7.4000 5.886E-02 I X 7.6000 4.852E-02 I X 7.8000 3.709E-02 I X 8.0000 2.486E-02 I X 8.2000 1.213E-02 I X 8.4000 -8.445E-04 X 8.6000 -1.380E-02 X I 8.8000 -2.652E-02 X I 9.0000 -3.879E-02 X I 9.2000 -5.044E-02 X I 9.4000 -6.131E-02 X I 9.6000 -7.127E-02 X I 9.8000 -8.021E-02 X I 10.0000 -8.805E-02 X I 10.2500 -9.619E-02 X I 10.5000 -1.024E-01 X I 10.7500 -1.067E-01 X I 11.0000 -1.090E-01 X I 11.2500 -1.093E-01 X I 11.5000 -1.078E-01 X I 11.7500 -1.045E-01 X I 12.0000 -9.947E-02 X I 12.2500 -9.292E-02 X I 12.5000 -8.495E-02 X I 12.7500 -7.573E-02 X I 13.0000 -6.542E-02 X I 13.2500 -5.420E-02 X I 13.5000 -4.224E-02 X I 13.7500 -2.972E-02 X I 14.0000 -1.680E-02 X I 14.2500 -3.680E-03 XI 14.5000 9.491E-03 I X 14.7500 2.255E-02 I X 15.0000 3.534E-02 I X 15.5000 5.956E-02 I X 16.0000 8.116E-02 I X 16.5000 9.933E-02 I X 17.0000 1.135E-01 I X 17.5000 1.232E-01 I X 18.0000 1.284E-01 I X 18.5000 1.289E-01 I X 19.0000 1.250E-01 I X 19.5000 1.170E-01 I X 20.0000 1.053E-01 I X 20.5000 9.032E-02 I X 21.0000 7.270E-02 I X 21.5000 5.301E-02 I X 22.0000 3.188E-02 I X 22.5000 9.904E-03 I X 23.0000 -1.232E-02 X I 23.5000 -3.426E-02 X I 24.0000 -5.538E-02 X I 24.5000 -7.526E-02 X I 25.0000 -9.350E-02 X I 25.5000 -1.098E-01 X I 26.0000 -1.238E-01 X I 26.5000 -1.354E-01 X I 27.0000 -1.445E-01 X I 27.5000 -1.509E-01 X I 28.0000 -1.547E-01 X I 28.5000 -1.558E-01 X I 29.0000 -1.544E-01 X I 29.5000 -1.506E-01 X I 30.0000 -1.445E-01 X I 31.0000 -1.261E-01 X I 32.0000 -1.008E-01 X I 33.0000 -7.045E-02 X I 34.0000 -3.676E-02 X I 35.0000 -1.457E-03 X 36.0000 3.392E-02 I X 37.0000 6.806E-02 I X 38.0000 9.989E-02 I X 39.0000 1.286E-01 I X 40.0000 1.536E-01 I X 41.0000 1.746E-01 I X 42.0000 1.914E-01 I X 43.0000 2.041E-01 I X 44.0000 2.128E-01 I X 45.0000 2.178E-01 I X 46.0000 2.194E-01 I X 47.0000 2.180E-01 I X 48.0000 2.141E-01 I X 49.0000 2.080E-01 I X 50.0000 2.002E-01 I X 52.0000 1.807E-01 I X 54.0000 1.586E-01 I X 56.0000 1.357E-01 I X 58.0000 1.137E-01 I X 60.0000 9.343E-02 I X 62.0000 7.552E-02 I X 64.0000 6.014E-02 I X 66.0000 4.725E-02 I X 68.0000 3.666E-02 I X 70.0000 2.813E-02 I X 72.0000 2.136E-02 I X 74.0000 1.607E-02 I X 76.0000 1.198E-02 I X 78.0000 8.859E-03 I X 80.0000 6.501E-03 I X 82.0000 4.737E-03 IX 84.0000 3.429E-03 IX 86.0000 2.466E-03 IX 0.0 0.0 0.0 0.0 A d8 13p d8 13p 154408.2 137408.2 FIXEDHF 17000.0 10 28.01 CONFIG=d8 13p d8 L=1 ELIM= 161648.800 N=13 E= 154408.200 E= -0.06598121 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 16900 NSAVE=16900 IRREG=0 IFITER=99 NNODES=11 NUMR 16361 NUMS 16361 NUML 16896 RS 27.013 RL 0.250 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 RMAX -1.00000000 RMIN 1.54500000 RSCALE 1.59135000 RMAX -1.00000000 RMIN 1.59135000 RSCALE 1.63909050 RMAX -1.00000000 RMIN 1.63909050 RSCALE 1.68826322 RMAX -1.00000000 RMIN 1.68826322 RSCALE 1.73891111 RMAX -1.00000000 RMIN 1.73891111 RSCALE 1.79107844 RMAX -1.00000000 RMIN 1.79107844 RSCALE 1.84481080 RMAX -1.00000000 RMIN 1.84481080 RSCALE 1.90015512 RMAX -1.00000000 RMIN 1.90015512 RSCALE 1.95715978 RMAX -1.00000000 RMIN 1.95715978 RSCALE 2.01587457 RMAX -1.00000000 RMIN 2.01587457 RSCALE 2.07635081 RMAX -1.00000000 RMIN 2.07635081 RSCALE 2.13864133 RMAX -1.00000000 RMIN 2.13864133 RSCALE 2.20280057 RMAX -1.00000000 RMIN 2.20280057 RSCALE 2.26888459 RMAX -1.00000000 RMIN 2.26888459 RSCALE 2.33695112 RMAX -1.00000000 RMIN 2.33695112 RSCALE 2.40705966 RMAX -1.00000000 RMIN 2.40705966 RSCALE 2.47927145 RMAX -1.00000000 RMIN 2.47927145 RSCALE 2.55364959 RMAX -1.00000000 RMIN 2.55364959 RSCALE 2.63025908 RMAX -1.00000000 RMIN 2.63025908 RSCALE 2.70916685 RMAX -1.00000000 RMIN 2.70916685 RSCALE 2.79044186 RMAX -1.00000000 RMIN 2.79044186 RSCALE 2.87415511 RMAX -1.00000000 RMIN 2.87415511 RSCALE 2.96037977 RMAX -1.00000000 RMIN 2.96037977 RSCALE 3.04919116 RMAX -1.00000000 RMIN 3.04919116 RSCALE 3.14066689 RMAX -1.00000000 RMIN 3.14066689 RSCALE 3.23488690 RMAX -1.00000000 RMIN 3.23488690 RSCALE 3.33193351 RMAX -1.00000000 RMIN 3.33193351 RSCALE 3.43189151 RMAX -1.00000000 RMIN 3.43189151 RSCALE 3.53484826 RMAX -1.00000000 RMIN 3.53484826 RSCALE 3.64089371 RMAX -1.00000000 RMIN 3.64089371 RSCALE 3.75012052 RMAX -1.00000000 RMIN 3.75012052 RSCALE 3.86262413 RMAX -1.00000000 RMIN 3.86262413 RSCALE 3.97850286 RMAX -1.00000000 RMIN 3.97850286 RSCALE 4.09785794 RMAX -1.00000000 RMIN 4.09785794 RSCALE 4.22079368 RMAX -1.00000000 RMIN 4.22079368 RSCALE 4.34741749 RMAX -1.00000000 RMIN 4.34741749 RSCALE 4.47784002 RMAX -1.00000000 RMIN 4.47784002 RSCALE 4.61217522 RMAX -1.00000000 RMIN 4.61217522 RSCALE 4.75054047 RMAX -1.00000000 RMIN 4.75054047 RSCALE 4.89305669 RMAX -1.00000000 RMIN 4.89305669 RSCALE 5.03984839 RMAX -1.00000000 RMIN 5.03984839 RSCALE 5.19104384 RMAX -1.00000000 RMIN 5.19104384 RSCALE 5.34677516 RMAX -1.00000000 RMIN 5.34677516 RSCALE 5.50717841 RMAX -1.00000000 RMIN 5.50717841 RSCALE 5.67239376 RMAX -1.00000000 RMIN 5.67239376 RSCALE 5.84256558 RMAX -1.00000000 RMIN 5.84256558 RSCALE 6.01784254 DEL -18.26386305 RSCALE 6.01784254 DEL -7.40392862 RSCALE 6.07683024 DEL -5.05121705 RSCALE 6.11704602 DEL -3.24249199 RSCALE 6.17700612 DEL -2.23058538 RSCALE 6.23755397 DEL -1.57742362 RSCALE 6.29869531 DEL -1.11615336 RSCALE 6.36043596 DEL -0.76933257 RSCALE 6.42278181 DEL -0.49607504 RSCALE 6.48573878 DEL -0.27271959 RSCALE 6.54931286 DEL -0.08458670 RSCALE 6.61351010 DEL -0.00930671 RSCALE 6.64237391 DEL -0.00034102 RSCALE 6.64594229 DEL -0.00000141 RSCALE 6.64607801 DEL 0.00000000 RSCALE 6.64607858 CNORM= 9.94085E-01 0.0500 1.057E-02 I X 0.1000 1.738E-02 I X 0.1500 1.127E-02 I X 0.2000 -1.801E-03 X 0.2500 -1.426E-02 X I 0.3000 -2.136E-02 X I 0.3500 -2.160E-02 X I 0.4000 -1.587E-02 X I 0.4500 -6.319E-03 X I 0.5000 4.604E-03 IX 0.5500 1.471E-02 I X 0.6000 2.241E-02 I X 0.6500 2.677E-02 I X 0.7000 2.751E-02 I X 0.7500 2.485E-02 I X 0.8000 1.937E-02 I X 0.8500 1.187E-02 I X 0.9000 3.216E-03 IX 0.9500 -5.732E-03 XI 1.0000 -1.422E-02 X I 1.1000 -2.745E-02 X I 1.2000 -3.346E-02 X I 1.3000 -3.162E-02 X I 1.4000 -2.315E-02 X I 1.5000 -1.030E-02 X I 1.6000 4.323E-03 IX 1.7000 1.832E-02 I X 1.8000 2.981E-02 I X 1.9000 3.754E-02 I X 2.0000 4.092E-02 I X 2.1000 3.993E-02 I X 2.2000 3.502E-02 I X 2.3000 2.692E-02 I X 2.4000 1.655E-02 I X 2.5000 4.875E-03 IX 2.6000 -7.167E-03 X I 2.7000 -1.873E-02 X I 2.8000 -2.912E-02 X I 2.9000 -3.779E-02 X I 3.0000 -4.436E-02 X I 3.1000 -4.863E-02 X I 3.2000 -5.051E-02 X I 3.3000 -5.007E-02 X I 3.4000 -4.744E-02 X I 3.5000 -4.287E-02 X I 3.6000 -3.663E-02 X I 3.7000 -2.904E-02 X I 3.8000 -2.043E-02 X I 3.9000 -1.116E-02 X I 4.0000 -1.524E-03 X 4.1000 8.155E-03 I X 4.2000 1.761E-02 I X 4.3000 2.658E-02 I X 4.4000 3.488E-02 I X 4.5000 4.232E-02 I X 4.6000 4.878E-02 I X 4.7000 5.415E-02 I X 4.8000 5.836E-02 I X 4.9000 6.138E-02 I X 5.0000 6.321E-02 I X 5.2000 6.334E-02 I X 5.4000 5.913E-02 I X 5.6000 5.117E-02 I X 5.8000 4.021E-02 I X 6.0000 2.707E-02 I X 6.2000 1.255E-02 I X 6.4000 -2.560E-03 XI 6.6000 -1.757E-02 X I 6.8000 -3.187E-02 X I 7.0000 -4.495E-02 X I 7.2000 -5.644E-02 X I 7.4000 -6.602E-02 X I 7.6000 -7.353E-02 X I 7.8000 -7.884E-02 X I 8.0000 -8.194E-02 X I 8.2000 -8.285E-02 X I 8.4000 -8.168E-02 X I 8.6000 -7.855E-02 X I 8.8000 -7.364E-02 X I 9.0000 -6.714E-02 X I 9.2000 -5.926E-02 X I 9.4000 -5.022E-02 X I 9.6000 -4.023E-02 X I 9.8000 -2.952E-02 X I 10.0000 -1.831E-02 X I 10.2500 -3.890E-03 XI 10.5000 1.063E-02 I X 10.7500 2.490E-02 I X 11.0000 3.863E-02 I X 11.2500 5.154E-02 I X 11.5000 6.341E-02 I X 11.7500 7.406E-02 I X 12.0000 8.334E-02 I X 12.2500 9.112E-02 I X 12.5000 9.735E-02 I X 12.7500 1.020E-01 I X 13.0000 1.049E-01 I X 13.2500 1.063E-01 I X 13.5000 1.061E-01 I X 13.7500 1.043E-01 I X 14.0000 1.011E-01 I X 14.2500 9.653E-02 I X 14.5000 9.066E-02 I X 14.7500 8.362E-02 I X 15.0000 7.554E-02 I X 15.5000 5.674E-02 I X 16.0000 3.531E-02 I X 16.5000 1.230E-02 I X 17.0000 -1.122E-02 X I 17.5000 -3.430E-02 X I 18.0000 -5.606E-02 X I 18.5000 -7.572E-02 X I 19.0000 -9.265E-02 X I 19.5000 -1.064E-01 X I 20.0000 -1.166E-01 X I 20.5000 -1.230E-01 X I 21.0000 -1.256E-01 X I 21.5000 -1.245E-01 X I 22.0000 -1.197E-01 X I 22.5000 -1.117E-01 X I 23.0000 -1.006E-01 X I 23.5000 -8.690E-02 X I 24.0000 -7.103E-02 X I 24.5000 -5.342E-02 X I 25.0000 -3.457E-02 X I 25.5000 -1.492E-02 X I 26.0000 5.049E-03 IX 26.5000 2.492E-02 I X 27.0000 4.428E-02 I X 27.5000 6.276E-02 I X 28.0000 8.004E-02 I X 28.5000 9.584E-02 I X 29.0000 1.099E-01 I X 29.5000 1.221E-01 I X 30.0000 1.322E-01 I X 31.0000 1.459E-01 I X 32.0000 1.508E-01 I X 33.0000 1.472E-01 I X 34.0000 1.356E-01 I X 35.0000 1.174E-01 I X 36.0000 9.364E-02 I X 37.0000 6.582E-02 I X 38.0000 3.532E-02 I X 39.0000 3.472E-03 IX 40.0000 -2.851E-02 X I 41.0000 -5.958E-02 X I 42.0000 -8.885E-02 X I 43.0000 -1.156E-01 X I 44.0000 -1.394E-01 X I 45.0000 -1.599E-01 X I 46.0000 -1.769E-01 X I 47.0000 -1.904E-01 X I 48.0000 -2.003E-01 X I 49.0000 -2.070E-01 X I 50.0000 -2.107E-01 X I 52.0000 -2.099E-01 X I 54.0000 -2.006E-01 X I 56.0000 -1.853E-01 X I 58.0000 -1.664E-01 X I 60.0000 -1.459E-01 X I 62.0000 -1.252E-01 X I 64.0000 -1.055E-01 X I 66.0000 -8.751E-02 X I 68.0000 -7.151E-02 X I 70.0000 -5.766E-02 X I 72.0000 -4.594E-02 X I 74.0000 -3.620E-02 X I 76.0000 -2.823E-02 X I 78.0000 -2.182E-02 X I 80.0000 -1.671E-02 X I 82.0000 -1.270E-02 X I 84.0000 -9.579E-03 X I 86.0000 -7.174E-03 X I 88.0000 -5.337E-03 XI 90.0000 -3.946E-03 XI 92.0000 -2.901E-03 XI 94.0000 -2.120E-03 XI 0.0 0.0 0.0 0.0 B d8 14p d8 14p 154948.5 137948.5 FIXEDHF 17000.0 11 28.01 CONFIG=d8 14p d8 L=1 ELIM= 161648.800 N=14 E= 154948.500 E= -0.06105763 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 17600 NSAVE=17600 IRREG=0 IFITER=99 NNODES=12 NUMR 17061 NUMS 17061 NUML 17596 RS 27.013 RL 0.250 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 RMAX -1.00000000 RMIN 1.54500000 RSCALE 1.59135000 RMAX -1.00000000 RMIN 1.59135000 RSCALE 1.63909050 RMAX -1.00000000 RMIN 1.63909050 RSCALE 1.68826322 RMAX -1.00000000 RMIN 1.68826322 RSCALE 1.73891111 RMAX -1.00000000 RMIN 1.73891111 RSCALE 1.79107844 RMAX -1.00000000 RMIN 1.79107844 RSCALE 1.84481080 RMAX -1.00000000 RMIN 1.84481080 RSCALE 1.90015512 RMAX -1.00000000 RMIN 1.90015512 RSCALE 1.95715978 RMAX -1.00000000 RMIN 1.95715978 RSCALE 2.01587457 RMAX -1.00000000 RMIN 2.01587457 RSCALE 2.07635081 RMAX -1.00000000 RMIN 2.07635081 RSCALE 2.13864133 RMAX -1.00000000 RMIN 2.13864133 RSCALE 2.20280057 RMAX -1.00000000 RMIN 2.20280057 RSCALE 2.26888459 RMAX -1.00000000 RMIN 2.26888459 RSCALE 2.33695112 RMAX -1.00000000 RMIN 2.33695112 RSCALE 2.40705966 RMAX -1.00000000 RMIN 2.40705966 RSCALE 2.47927145 RMAX -1.00000000 RMIN 2.47927145 RSCALE 2.55364959 RMAX -1.00000000 RMIN 2.55364959 RSCALE 2.63025908 RMAX -1.00000000 RMIN 2.63025908 RSCALE 2.70916685 RMAX -1.00000000 RMIN 2.70916685 RSCALE 2.79044186 RMAX -1.00000000 RMIN 2.79044186 RSCALE 2.87415511 RMAX -1.00000000 RMIN 2.87415511 RSCALE 2.96037977 RMAX -1.00000000 RMIN 2.96037977 RSCALE 3.04919116 RMAX -1.00000000 RMIN 3.04919116 RSCALE 3.14066689 RMAX -1.00000000 RMIN 3.14066689 RSCALE 3.23488690 RMAX -1.00000000 RMIN 3.23488690 RSCALE 3.33193351 RMAX -1.00000000 RMIN 3.33193351 RSCALE 3.43189151 RMAX -1.00000000 RMIN 3.43189151 RSCALE 3.53484826 RMAX -1.00000000 RMIN 3.53484826 RSCALE 3.64089371 RMAX -1.00000000 RMIN 3.64089371 RSCALE 3.75012052 RMAX -1.00000000 RMIN 3.75012052 RSCALE 3.86262413 RMAX -1.00000000 RMIN 3.86262413 RSCALE 3.97850286 RMAX -1.00000000 RMIN 3.97850286 RSCALE 4.09785794 RMAX -1.00000000 RMIN 4.09785794 RSCALE 4.22079368 RMAX -1.00000000 RMIN 4.22079368 RSCALE 4.34741749 RMAX -1.00000000 RMIN 4.34741749 RSCALE 4.47784002 RMAX -1.00000000 RMIN 4.47784002 RSCALE 4.61217522 RMAX -1.00000000 RMIN 4.61217522 RSCALE 4.75054047 RMAX -1.00000000 RMIN 4.75054047 RSCALE 4.89305669 RMAX -1.00000000 RMIN 4.89305669 RSCALE 5.03984839 RMAX -1.00000000 RMIN 5.03984839 RSCALE 5.19104384 RMAX -1.00000000 RMIN 5.19104384 RSCALE 5.34677516 RMAX -1.00000000 RMIN 5.34677516 RSCALE 5.50717841 RMAX -1.00000000 RMIN 5.50717841 RSCALE 5.67239376 RMAX -1.00000000 RMIN 5.67239376 RSCALE 5.84256558 RMAX -1.00000000 RMIN 5.84256558 RSCALE 6.01784254 RMAX -1.00000000 RMIN 6.01784254 RSCALE 6.19837782 RMAX -1.00000000 RMIN 6.19837782 RSCALE 6.38432915 RMAX -1.00000000 RMIN 6.38432915 RSCALE 6.57585903 RMAX -1.00000000 RMIN 6.57585903 RSCALE 6.77313480 RMAX -1.00000000 RMIN 6.77313480 RSCALE 6.97632884 RMAX -1.00000000 RMIN 6.97632884 RSCALE 7.18561871 RMAX -1.00000000 RMIN 7.18561871 RSCALE 7.40118727 RMAX -1.00000000 RMIN 7.40118727 RSCALE 7.62322289 RMAX -1.00000000 RMIN 7.62322289 RSCALE 7.85191957 DEL -4.03266456 RSCALE 7.85191957 DEL -2.46706477 RSCALE 7.92888514 DEL -1.60932438 RSCALE 8.00660514 DEL -1.06062267 RSCALE 8.08508695 DEL -0.67411438 RSCALE 8.16433806 DEL -0.38300993 RSCALE 8.24436599 DEL -0.15250301 RSCALE 8.32517838 DEL -0.02418295 RSCALE 8.37864372 DEL -0.00170748 RSCALE 8.38871969 DEL -0.00002006 RSCALE 8.38948517 DEL -0.00000002 RSCALE 8.38949427 DEL 0.00000000 RSCALE 8.38949428 CNORM= 9.92257E-01 0.0500 1.001E-02 I X 0.1000 1.629E-02 I X 0.1500 1.020E-02 I X 0.2000 -2.361E-03 XI 0.2500 -1.400E-02 X I 0.3000 -2.018E-02 X I 0.3500 -1.960E-02 X I 0.4000 -1.336E-02 X I 0.4500 -3.725E-03 XI 0.5000 6.781E-03 I X 0.5500 1.599E-02 I X 0.6000 2.240E-02 I X 0.6500 2.524E-02 I X 0.7000 2.442E-02 I X 0.7500 2.034E-02 I X 0.8000 1.376E-02 I X 0.8500 5.616E-03 I X 0.9000 -3.127E-03 XI 0.9500 -1.158E-02 X I 1.0000 -1.898E-02 X I 1.1000 -2.862E-02 X I 1.2000 -2.987E-02 X I 1.3000 -2.331E-02 X I 1.4000 -1.123E-02 X I 1.5000 3.263E-03 IX 1.6000 1.718E-02 I X 1.7000 2.814E-02 I X 1.8000 3.463E-02 I X 1.9000 3.607E-02 I X 2.0000 3.265E-02 I X 2.1000 2.516E-02 I X 2.2000 1.476E-02 I X 2.3000 2.769E-03 IX 2.4000 -9.513E-03 X I 2.5000 -2.092E-02 X I 2.6000 -3.053E-02 X I 2.7000 -3.767E-02 X I 2.8000 -4.194E-02 X I 2.9000 -4.320E-02 X I 3.0000 -4.156E-02 X I 3.1000 -3.728E-02 X I 3.2000 -3.076E-02 X I 3.3000 -2.249E-02 X I 3.4000 -1.301E-02 X I 3.5000 -2.868E-03 XI 3.6000 7.417E-03 I X 3.7000 1.737E-02 I X 3.8000 2.657E-02 I X 3.9000 3.467E-02 I X 4.0000 4.141E-02 I X 4.1000 4.660E-02 I X 4.2000 5.013E-02 I X 4.3000 5.194E-02 I X 4.4000 5.206E-02 I X 4.5000 5.055E-02 I X 4.6000 4.754E-02 I X 4.7000 4.316E-02 I X 4.8000 3.760E-02 I X 4.9000 3.106E-02 I X 5.0000 2.373E-02 I X 5.2000 7.547E-03 I X 5.4000 -9.322E-03 X I 5.6000 -2.544E-02 X I 5.8000 -3.964E-02 X I 6.0000 -5.103E-02 X I 6.2000 -5.906E-02 X I 6.4000 -6.346E-02 X I 6.6000 -6.420E-02 X I 6.8000 -6.149E-02 X I 7.0000 -5.566E-02 X I 7.2000 -4.719E-02 X I 7.4000 -3.662E-02 X I 7.6000 -2.450E-02 X I 7.8000 -1.140E-02 X I 8.0000 2.125E-03 IX 8.2000 1.558E-02 I X 8.4000 2.852E-02 I X 8.6000 4.056E-02 I X 8.8000 5.138E-02 I X 9.0000 6.074E-02 I X 9.2000 6.845E-02 I X 9.4000 7.439E-02 I X 9.6000 7.851E-02 I X 9.8000 8.078E-02 I X 10.0000 8.124E-02 I X 10.2500 7.939E-02 I X 10.5000 7.502E-02 I X 10.7500 6.840E-02 I X 11.0000 5.984E-02 I X 11.2500 4.966E-02 I X 11.5000 3.820E-02 I X 11.7500 2.581E-02 I X 12.0000 1.280E-02 I X 12.2500 -4.849E-04 X 12.5000 -1.377E-02 X I 12.7500 -2.677E-02 X I 13.0000 -3.925E-02 X I 13.2500 -5.099E-02 X I 13.5000 -6.182E-02 X I 13.7500 -7.158E-02 X I 14.0000 -8.014E-02 X I 14.2500 -8.742E-02 X I 14.5000 -9.334E-02 X I 14.7500 -9.786E-02 X I 15.0000 -1.010E-01 X I 15.5000 -1.030E-01 X I 16.0000 -9.957E-02 X I 16.5000 -9.125E-02 X I 17.0000 -7.868E-02 X I 17.5000 -6.263E-02 X I 18.0000 -4.394E-02 X I 18.5000 -2.350E-02 X I 19.0000 -2.145E-03 XI 19.5000 1.929E-02 I X 20.0000 4.006E-02 I X 20.5000 5.948E-02 I X 21.0000 7.697E-02 I X 21.5000 9.207E-02 I X 22.0000 1.044E-01 I X 22.5000 1.137E-01 I X 23.0000 1.198E-01 I X 23.5000 1.226E-01 I X 24.0000 1.222E-01 I X 24.5000 1.187E-01 I X 25.0000 1.123E-01 I X 25.5000 1.032E-01 I X 26.0000 9.164E-02 I X 26.5000 7.808E-02 I X 27.0000 6.282E-02 I X 27.5000 4.623E-02 I X 28.0000 2.870E-02 I X 28.5000 1.060E-02 I X 29.0000 -7.711E-03 X I 29.5000 -2.588E-02 X I 30.0000 -4.358E-02 X I 31.0000 -7.643E-02 X I 32.0000 -1.043E-01 X I 33.0000 -1.257E-01 X I 34.0000 -1.399E-01 X I 35.0000 -1.464E-01 X I 36.0000 -1.454E-01 X I 37.0000 -1.374E-01 X I 38.0000 -1.231E-01 X I 39.0000 -1.036E-01 X I 40.0000 -7.987E-02 X I 41.0000 -5.316E-02 X I 42.0000 -2.456E-02 X I 43.0000 4.852E-03 IX 44.0000 3.413E-02 I X 45.0000 6.243E-02 I X 46.0000 8.907E-02 I X 47.0000 1.135E-01 I X 48.0000 1.353E-01 I X 49.0000 1.542E-01 I X 50.0000 1.701E-01 I X 52.0000 1.927E-01 I X 54.0000 2.037E-01 I X 56.0000 2.047E-01 I X 58.0000 1.978E-01 I X 60.0000 1.850E-01 I X 62.0000 1.685E-01 I X 64.0000 1.499E-01 I X 66.0000 1.308E-01 I X 68.0000 1.121E-01 I X 70.0000 9.460E-02 I X 72.0000 7.870E-02 I X 74.0000 6.464E-02 I X 76.0000 5.248E-02 I X 78.0000 4.216E-02 I X 80.0000 3.353E-02 I X 82.0000 2.643E-02 I X 84.0000 2.066E-02 I X 86.0000 1.602E-02 I X 88.0000 1.233E-02 I X 90.0000 9.426E-03 I X 92.0000 7.159E-03 I X 94.0000 5.405E-03 IX 96.0000 4.057E-03 IX 98.0000 3.029E-03 IX 100.0000 2.250E-03 IX HF 0.0 0.0 0.0 0.0 C d8 15p d8 15p 155371.4 138371.4 FIXEDHF 17000.0 12 28.01 CONFIG=d8 15p d8 L=1 ELIM= 140865.000 N=15 E= 138371.400HF E= -0.02272336 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 31500 NSAVE=31500 IRREG=0 IFITER=99 NNODES=13 NUMR 30961 NUMS 30961 NUML 31496 RS 27.013 RL 0.250 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 RMAX 1.33273057 RMIN -1.00000000 RSCALE 1.29391318 DEL -63.68394070 RSCALE 1.29391318 DEL -141.71225438 RSCALE 1.30659629 DEL -63.68394127 RSCALE 1.29391318 DEL -41.52214457 RSCALE 1.28356167 DEL -27.73057134 RSCALE 1.27110216 DEL -19.84493782 RSCALE 1.25876359 DEL -14.79407042 RSCALE 1.24654479 DEL -11.31534374 RSCALE 1.23444460 DEL -8.79520124 RSCALE 1.22246186 DEL -6.90015006 RSCALE 1.21059544 DEL -5.43369316 RSCALE 1.19884421 DEL -4.27276988 RSCALE 1.18720705 DEL -3.33653751 RSCALE 1.17568285 DEL -2.56980406 RSCALE 1.16427051 DEL -1.93367727 RSCALE 1.15296896 DEL -1.40001435 RSCALE 1.14177711 DEL -0.94798671 RSCALE 1.13069389 DEL -0.56187716 RSCALE 1.11971826 DEL -0.22962366 RSCALE 1.10884918 DEL -0.02485378 RSCALE 1.10133744 DEL -0.00124835 RSCALE 1.10042571 DEL -0.00000720 RSCALE 1.10037749 DEL 0.00000000 RSCALE 1.10037721 CNORM= 1.00099E+00 0.0500 4.307E-03 I X 0.1000 8.472E-03 I X 0.1500 8.783E-03 I X 0.2000 6.038E-03 I X 0.2500 1.726E-03 IX 0.3000 -2.951E-03 XI 0.3500 -7.228E-03 X I 0.4000 -1.070E-02 X I 0.4500 -1.319E-02 X I 0.5000 -1.470E-02 X I 0.5500 -1.530E-02 X I 0.6000 -1.510E-02 X I 0.6500 -1.423E-02 X I 0.7000 -1.282E-02 X I 0.7500 -1.099E-02 X I 0.8000 -8.853E-03 X I 0.8500 -6.490E-03 X I 0.9000 -3.985E-03 X I 0.9500 -1.400E-03 XI 1.0000 1.209E-03 X 1.1000 6.338E-03 I X 1.2000 1.115E-02 I X 1.3000 1.550E-02 I X 1.4000 1.930E-02 I X 1.5000 2.250E-02 I X 1.6000 2.510E-02 I X 1.7000 2.710E-02 I X 1.8000 2.852E-02 I X 1.9000 2.938E-02 I X 2.0000 2.971E-02 I X 2.1000 2.955E-02 I X 2.2000 2.893E-02 I X 2.3000 2.788E-02 I X 2.4000 2.645E-02 I X 2.5000 2.467E-02 I X 2.6000 2.257E-02 I X 2.7000 2.019E-02 I X 2.8000 1.757E-02 I X 2.9000 1.475E-02 I X 3.0000 1.176E-02 I X 3.1000 8.651E-03 I X 3.2000 5.446E-03 I X 3.3000 2.185E-03 IX 3.4000 -1.098E-03 X 3.5000 -4.371E-03 X I 3.6000 -7.602E-03 X I 3.7000 -1.076E-02 X I 3.8000 -1.382E-02 X I 3.9000 -1.676E-02 X I 4.0000 -1.956E-02 X I 4.1000 -2.218E-02 X I 4.2000 -2.463E-02 X I 4.3000 -2.687E-02 X I 4.4000 -2.889E-02 X I 4.5000 -3.069E-02 X I 4.6000 -3.226E-02 X I 4.7000 -3.358E-02 X I 4.8000 -3.466E-02 X I 4.9000 -3.548E-02 X I 5.0000 -3.605E-02 X I 5.2000 -3.645E-02 X I 5.4000 -3.586E-02 X I 5.6000 -3.435E-02 X I 5.8000 -3.197E-02 X I 6.0000 -2.882E-02 X I 6.2000 -2.499E-02 X I 6.4000 -2.059E-02 X I 6.6000 -1.574E-02 X I 6.8000 -1.054E-02 X I 7.0000 -5.131E-03 X I 7.2000 3.873E-04 X 7.4000 5.898E-03 I X 7.6000 1.130E-02 I X 7.8000 1.648E-02 I X 8.0000 2.137E-02 I X 8.2000 2.587E-02 I X 8.4000 2.993E-02 I X 8.6000 3.348E-02 I X 8.8000 3.647E-02 I X 9.0000 3.887E-02 I X 9.2000 4.066E-02 I X 9.4000 4.181E-02 I X 9.6000 4.233E-02 I X 9.8000 4.222E-02 I X 10.0000 4.149E-02 I X 10.2500 3.976E-02 I X 10.5000 3.716E-02 I X 10.7500 3.377E-02 I X 11.0000 2.968E-02 I X 11.2500 2.499E-02 I X 11.5000 1.980E-02 I X 11.7500 1.423E-02 I X 12.0000 8.392E-03 I X 12.2500 2.398E-03 IX 12.5000 -3.640E-03 XI 12.7500 -9.614E-03 X I 13.0000 -1.542E-02 X I 13.2500 -2.097E-02 X I 13.5000 -2.616E-02 X I 13.7500 -3.093E-02 X I 14.0000 -3.520E-02 X I 14.2500 -3.891E-02 X I 14.5000 -4.202E-02 X I 14.7500 -4.449E-02 X I 15.0000 -4.630E-02 X I 15.5000 -4.787E-02 X I 16.0000 -4.674E-02 X I 16.5000 -4.306E-02 X I 17.0000 -3.709E-02 X I 17.5000 -2.923E-02 X I 18.0000 -1.991E-02 X I 18.5000 -9.634E-03 X I 19.0000 1.096E-03 X 19.5000 1.178E-02 I X 20.0000 2.194E-02 I X 20.5000 3.117E-02 I X 21.0000 3.910E-02 I X 21.5000 4.543E-02 I X 22.0000 4.997E-02 I X 22.5000 5.258E-02 I X 23.0000 5.321E-02 I X 23.5000 5.188E-02 I X 24.0000 4.869E-02 I X 24.5000 4.380E-02 I X 25.0000 3.741E-02 I X 25.5000 2.976E-02 I X 26.0000 2.115E-02 I X 26.5000 1.185E-02 I X 27.0000 2.187E-03 IX 27.5000 -7.547E-03 X I 28.0000 -1.706E-02 X I 28.5000 -2.606E-02 X I 29.0000 -3.433E-02 X I 29.5000 -4.162E-02 X I 30.0000 -4.777E-02 X I 31.0000 -5.609E-02 X I 32.0000 -5.862E-02 X I 33.0000 -5.531E-02 X I 34.0000 -4.670E-02 X I 35.0000 -3.376E-02 X I 36.0000 -1.780E-02 X I 37.0000 -2.963E-04 X 38.0000 1.724E-02 I X 39.0000 3.339E-02 I X 40.0000 4.695E-02 I X 41.0000 5.696E-02 I X 42.0000 6.281E-02 I X 43.0000 6.420E-02 I X 44.0000 6.117E-02 I X 45.0000 5.405E-02 I X 46.0000 4.343E-02 I X 47.0000 3.007E-02 I X 48.0000 1.486E-02 I X 49.0000 -1.229E-03 X 50.0000 -1.726E-02 X I 52.0000 -4.561E-02 X I 54.0000 -6.443E-02 X I 56.0000 -7.043E-02 X I 58.0000 -6.310E-02 X I 60.0000 -4.439E-02 X I 62.0000 -1.806E-02 X I 64.0000 1.125E-02 I X 66.0000 3.885E-02 I X 68.0000 6.074E-02 I X 70.0000 7.408E-02 I X 72.0000 7.747E-02 I X 74.0000 7.090E-02 I X 76.0000 5.563E-02 I X 78.0000 3.383E-02 I X 80.0000 8.223E-03 I X 82.0000 -1.829E-02 X I 84.0000 -4.295E-02 X I 86.0000 -6.343E-02 X I 88.0000 -7.800E-02 X I 90.0000 -8.562E-02 X I 92.0000 -8.594E-02 X I 94.0000 -7.926E-02 X I 96.0000 -6.639E-02 X I 98.0000 -4.857E-02 X I 100.0000 -2.728E-02 X I 102.0000 -4.129E-03 X I 104.0000 1.930E-02 I X 106.0000 4.155E-02 I X 108.0000 6.135E-02 I X 110.0000 7.771E-02 I X 112.0000 8.990E-02 I X 114.0000 9.750E-02 I X 116.0000 1.004E-01 I X 118.0000 9.858E-02 I X 120.0000 9.246E-02 I X 122.0000 8.248E-02 I X 124.0000 6.922E-02 I X 126.0000 5.337E-02 I X 128.0000 3.562E-02 I X 130.0000 1.667E-02 I X 132.0000 -2.819E-03 XI 134.0000 -2.223E-02 X I 136.0000 -4.102E-02 X I 138.0000 -5.874E-02 X I 140.0000 -7.501E-02 X I 142.0000 -8.958E-02 X I 144.0000 -1.022E-01 X I 146.0000 -1.129E-01 X I 148.0000 -1.214E-01 X I 150.0000 -1.280E-01 X I 152.0000 -1.325E-01 X I 154.0000 -1.352E-01 X I 156.0000 -1.362E-01 X I 158.0000 -1.357E-01 X I 160.0000 -1.337E-01 X I 162.0000 -1.307E-01 X I 164.0000 -1.266E-01 X I 166.0000 -1.217E-01 X I 168.0000 -1.162E-01 X I 170.0000 -1.102E-01 X I 172.0000 -1.038E-01 X I 174.0000 -9.733E-02 X I 176.0000 -9.074E-02 X I 178.0000 -8.416E-02 X I 180.0000 -7.770E-02 X I 182.0000 -7.140E-02 X I 184.0000 -6.534E-02 X I 186.0000 -5.954E-02 X I 188.0000 -5.405E-02 X I 190.0000 -4.889E-02 X I 192.0000 -4.406E-02 X I 194.0000 -3.957E-02 X I 196.0000 -3.542E-02 X I 198.0000 -3.161E-02 X I 200.0000 -2.813E-02 X I 202.0000 -2.495E-02 X I 204.0000 -2.207E-02 X I 206.0000 -1.947E-02 X I 208.0000 -1.714E-02 X I 210.0000 -1.504E-02 X I 212.0000 -1.317E-02 X I 214.0000 -1.151E-02 X I 216.0000 -1.003E-02 X I 218.0000 -8.721E-03 X I 220.0000 -7.567E-03 X I 222.0000 -6.553E-03 X I 224.0000 -5.663E-03 X I 226.0000 -4.884E-03 X I 228.0000 -4.205E-03 X I 230.0000 -3.613E-03 XI 232.0000 -3.099E-03 XI 234.0000 -2.653E-03 XI 236.0000 -2.267E-03 XI 238.0000 -1.935E-03 XI 240.0000 -1.648E-03 XI 242.0000 -1.402E-03 XI 0.0 0.0 0.0 0.0 D d7 4s4p d6 4s4p 3d 121324.6 94146.0 27000.0 13 28.01 CONFIG=d7 4s4p d6 4s4p L=2 ELIM= 396809.800 N= 3 E= 121324.600 E= -2.51040599 Z=2.0000 L=2.0000 STEP=-.0500 NUM= 3000 NSAVE= 3000 IRREG=0 IFITER=99 NNODES= 0 NUMR 2461 NUMS 2461 NUML 2986 RS 27.013 RL 0.750 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 RMAX 1.33273057 RMIN -1.00000000 RSCALE 1.29391318 RMAX 1.29391318 RMIN -1.00000000 RSCALE 1.25622639 DEL -14.25077469 RSCALE 1.25622639 DEL -24.93601177 RSCALE 1.26854008 DEL -14.25077469 RSCALE 1.25622639 DEL -9.17627464 RSCALE 1.24403221 DEL -6.24361816 RSCALE 1.23195641 DEL -4.35131456 RSCALE 1.21999783 DEL -3.04054892 RSCALE 1.20815533 DEL -2.08642924 RSCALE 1.19642778 DEL -1.36594505 RSCALE 1.18481408 DEL -0.80626107 RSCALE 1.17331311 DEL -0.36157933 RSCALE 1.16192377 DEL -0.06112373 RSCALE 1.15266289 DEL -0.00559157 RSCALE 1.15077888 DEL -0.00009593 RSCALE 1.15058918 DEL -0.00000015 RSCALE 1.15058587 DEL 0.00000000 RSCALE 1.15058586 CNORM= 1.68752E+00 0.0500 2.000E-02 IX 0.1000 1.065E-01 I X 0.1500 2.459E-01 I X 0.2000 4.078E-01 I X 0.2500 5.680E-01 I X 0.3000 7.116E-01 I X 0.3500 8.314E-01 I X 0.4000 9.250E-01 I X 0.4500 9.932E-01 I X 0.5000 1.038E+00 I X 0.5500 1.063E+00 I X 0.6000 1.072E+00 I X 0.6500 1.067E+00 I X 0.7000 1.050E+00 I X 0.7500 1.026E+00 I X 0.8000 9.949E-01 I X 0.8500 9.595E-01 I X 0.9000 9.208E-01 I X 0.9500 8.803E-01 I X 1.0000 8.386E-01 I X 1.1000 7.550E-01 I X 1.2000 6.740E-01 I X 1.3000 5.981E-01 I X 1.4000 5.284E-01 I X 1.5000 4.652E-01 I X 1.6000 4.086E-01 I X 1.7000 3.583E-01 I X 1.8000 3.137E-01 I X 1.9000 2.744E-01 I X 2.0000 2.399E-01 I X 2.1000 2.096E-01 I X 2.2000 1.831E-01 I X 2.3000 1.599E-01 I X 2.4000 1.396E-01 I X 2.5000 1.219E-01 I X 2.6000 1.064E-01 I X 2.7000 9.288E-02 I X 2.8000 8.107E-02 I X 2.9000 7.076E-02 I X 3.0000 6.175E-02 I X 3.1000 5.388E-02 I X 3.2000 4.701E-02 I X 3.3000 4.101E-02 I X 3.4000 3.577E-02 I X 3.5000 3.119E-02 I X 3.6000 2.720E-02 IX 3.7000 2.371E-02 IX 3.8000 2.066E-02 IX 3.9000 1.800E-02 IX 4.0000 1.568E-02 IX 4.1000 1.365E-02 IX 4.2000 1.189E-02 IX 0.0 0.0 0.0 0.0 D d7 4s4p d7 4s 4p 121324.6 94146.0 27000.0 13 28.01 CONFIG=d7 4s4p d7 4s L=1 ELIM= 229263.300 N= 4 E= 121324.600 E= -0.98360986 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 3900 NSAVE= 3900 IRREG=0 IFITER=99 NNODES= 2 NUMR 3361 NUMS 3361 NUML 3896 RS 27.013 RL 0.250 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 RMAX 1.33273057 RMIN -1.00000000 RSCALE 1.29391318 DEL -11.87693354 RSCALE 1.29391318 DEL -21.74723395 RSCALE 1.30659629 DEL -11.87693323 RSCALE 1.29391318 DEL -7.03087385 RSCALE 1.28135318 DEL -4.18526144 RSCALE 1.26891511 DEL -2.33356230 RSCALE 1.25659777 DEL -1.04518197 RSCALE 1.24439999 DEL -0.25623395 RSCALE 1.23450470 DEL -0.03672986 RSCALE 1.23129092 DEL -0.00151572 RSCALE 1.23075315 DEL -0.00000938 RSCALE 1.23073000 DEL 0.00000000 RSCALE 1.23072986 CNORM= 9.40937E-01 0.0500 8.693E-02 I X 0.1000 1.681E-01 I X 0.1500 1.682E-01 I X 0.2000 1.060E-01 I X 0.2500 1.423E-02 IX 0.3000 -8.135E-02 X I 0.3500 -1.648E-01 X I 0.4000 -2.281E-01 X I 0.4500 -2.688E-01 X I 0.5000 -2.876E-01 X I 0.5500 -2.868E-01 X I 0.6000 -2.698E-01 X I 0.6500 -2.397E-01 X I 0.7000 -1.998E-01 X I 0.7500 -1.528E-01 X I 0.8000 -1.011E-01 X I 0.8500 -4.672E-02 X I 0.9000 8.788E-03 IX 0.9500 6.414E-02 I X 1.0000 1.184E-01 I X 1.1000 2.207E-01 I X 1.2000 3.123E-01 I X 1.3000 3.914E-01 I X 1.4000 4.580E-01 I X 1.5000 5.127E-01 I X 1.6000 5.563E-01 I X 1.7000 5.901E-01 I X 1.8000 6.151E-01 I X 1.9000 6.327E-01 I X 2.0000 6.437E-01 I X 2.1000 6.492E-01 I X 2.2000 6.499E-01 I X 2.3000 6.467E-01 I X 2.4000 6.402E-01 I X 2.5000 6.309E-01 I X 2.6000 6.194E-01 I X 2.7000 6.059E-01 I X 2.8000 5.909E-01 I X 2.9000 5.747E-01 I X 3.0000 5.575E-01 I X 3.1000 5.396E-01 I X 3.2000 5.212E-01 I X 3.3000 5.023E-01 I X 3.4000 4.833E-01 I X 3.5000 4.641E-01 I X 3.6000 4.450E-01 I X 3.7000 4.260E-01 I X 3.8000 4.072E-01 I X 3.9000 3.886E-01 I X 4.0000 3.705E-01 I X 4.1000 3.527E-01 I X 4.2000 3.353E-01 I X 4.3000 3.185E-01 I X 4.4000 3.022E-01 I X 4.5000 2.864E-01 I X 4.6000 2.711E-01 I X 4.7000 2.564E-01 I X 4.8000 2.423E-01 I X 4.9000 2.288E-01 I X 5.0000 2.158E-01 I X 5.2000 1.916E-01 I X 5.4000 1.696E-01 I X 5.6000 1.497E-01 I X 5.8000 1.318E-01 I X 6.0000 1.158E-01 I X 6.2000 1.014E-01 I X 6.4000 8.870E-02 I X 6.6000 7.741E-02 I X 6.8000 6.743E-02 I X 7.0000 5.863E-02 I X 7.2000 5.090E-02 I X 7.4000 4.412E-02 I X 7.6000 3.818E-02 I X 7.8000 3.300E-02 I X 8.0000 2.848E-02 I X 8.2000 2.455E-02 I X 8.4000 2.114E-02 I X 8.6000 1.818E-02 I X 8.8000 1.562E-02 IX 9.0000 1.340E-02 IX 9.2000 1.149E-02 IX 9.4000 9.841E-03 IX 9.6000 8.421E-03 IX 9.8000 7.199E-03 IX 0.0 0.0 0.0 0.0 D d7 4s4p d7 4p 4s 121324.6 94146.0 27000.0 13 28.01 CONFIG=d7 4s4p d7 4p L=0 ELIM= 284488.200 N= 4 E= 121324.600 E= -1.48685620 Z=2.0000 L=0.0000 STEP=-.0500 NUM= 3200 NSAVE= 3200 IRREG=0 IFITER=99 NNODES= 3 NUMR 2661 NUMS 2661 NUML 3199 RS 27.013 RL 0.125 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 DEL 0.81610491 RSCALE 1.37271249 DEL 0.75178718 RSCALE 1.35938759 DEL 0.68720367 RSCALE 1.34619203 DEL 0.62211457 RSCALE 1.33312457 DEL 0.55627913 RSCALE 1.32018395 DEL 0.48945214 RSCALE 1.30736894 DEL 0.42138034 RSCALE 1.29467833 DEL 0.35179901 RSCALE 1.28211091 DEL 0.28042781 RSCALE 1.26966548 DEL 0.20696654 RSCALE 1.25734086 DEL 0.13109019 RSCALE 1.24513587 DEL 0.05244341 RSCALE 1.23304935 DEL -0.00218162 RSCALE 1.22498980 DEL 0.00003595 RSCALE 1.22531168 DEL 0.00000002 RSCALE 1.22530646 DEL 0.00000000 RSCALE 1.22530646 CNORM= 9.06439E-01 0.0500 8.736E-02 I X 0.1000 -1.151E-01 X I 0.1500 -2.242E-01 X I 0.2000 -2.052E-01 X I 0.2500 -1.049E-01 X I 0.3000 2.637E-02 I X 0.3500 1.534E-01 I X 0.4000 2.563E-01 I X 0.4500 3.265E-01 I X 0.5000 3.627E-01 I X 0.5500 3.677E-01 I X 0.6000 3.462E-01 I X 0.6500 3.039E-01 I X 0.7000 2.458E-01 I X 0.7500 1.769E-01 I X 0.8000 1.012E-01 I X 0.8500 2.218E-02 I X 0.9000 -5.757E-02 X I 0.9500 -1.359E-01 X I 1.0000 -2.113E-01 X I 1.1000 -3.491E-01 X I 1.2000 -4.659E-01 X I 1.3000 -5.603E-01 X I 1.4000 -6.330E-01 X I 1.5000 -6.860E-01 X I 1.6000 -7.218E-01 X I 1.7000 -7.429E-01 X I 1.8000 -7.517E-01 X I 1.9000 -7.505E-01 X I 2.0000 -7.412E-01 X I 2.1000 -7.257E-01 X I 2.2000 -7.052E-01 X I 2.3000 -6.812E-01 X I 2.4000 -6.545E-01 X I 2.5000 -6.260E-01 X I 2.6000 -5.963E-01 X I 2.7000 -5.662E-01 X I 2.8000 -5.359E-01 X I 2.9000 -5.058E-01 X I 3.0000 -4.762E-01 X I 3.1000 -4.473E-01 X I 3.2000 -4.193E-01 X I 3.3000 -3.923E-01 X I 3.4000 -3.663E-01 X I 3.5000 -3.415E-01 X I 3.6000 -3.179E-01 X I 3.7000 -2.954E-01 X I 3.8000 -2.742E-01 X I 3.9000 -2.541E-01 X I 4.0000 -2.352E-01 X I 4.1000 -2.175E-01 X I 4.2000 -2.008E-01 X I 4.3000 -1.853E-01 X I 4.4000 -1.708E-01 X I 4.5000 -1.572E-01 X I 4.6000 -1.446E-01 X I 4.7000 -1.329E-01 X I 4.8000 -1.220E-01 X I 4.9000 -1.120E-01 X I 5.0000 -1.027E-01 X I 5.2000 -8.611E-02 X I 5.4000 -7.203E-02 X I 5.6000 -6.010E-02 X I 5.8000 -5.003E-02 X I 6.0000 -4.156E-02 X I 6.2000 -3.445E-02 X I 6.4000 -2.850E-02 X I 6.6000 -2.354E-02 X I 6.8000 -1.941E-02 XI 7.0000 -1.599E-02 XI 7.2000 -1.314E-02 XI 7.4000 -1.079E-02 XI 7.6000 -8.848E-03 XI 0.0 0.0 0.0 0.0 E d7 4s5p d7 4s 5p 182527.8 155527.8 FIXEDHF 27000.0 14 28.01 CONFIG=d7 4s5p d7 4s L=1 ELIM= 229263.300 N= 5 E= 182527.800 E= -0.42588523 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 6000 NSAVE= 6000 IRREG=0 IFITER=99 NNODES= 3 NUMR 5461 NUMS 5461 NUML 5996 RS 27.013 RL 0.250 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 RMAX 1.33273057 RMIN -1.00000000 RSCALE 1.29391318 DEL -11.73566623 RSCALE 1.29391318 DEL -24.88180458 RSCALE 1.30659629 DEL -11.73565828 RSCALE 1.29391318 DEL -6.76036887 RSCALE 1.28259087 DEL -3.72214913 RSCALE 1.27014078 DEL -1.86455084 RSCALE 1.25781155 DEL -0.62291462 RSCALE 1.24560199 DEL -0.14272348 RSCALE 1.23947659 DEL -0.01406855 RSCALE 1.23765599 DEL -0.00035389 RSCALE 1.23745691 DEL -0.00000090 RSCALE 1.23745177 DEL 0.00000000 RSCALE 1.23745176 CNORM= 9.87320E-01 0.0500 4.190E-02 I X 0.1000 8.091E-02 I X 0.1500 8.069E-02 I X 0.2000 5.037E-02 I X 0.2500 5.864E-03 IX 0.3000 -4.028E-02 X I 0.3500 -8.031E-02 X I 0.4000 -1.104E-01 X I 0.4500 -1.293E-01 X I 0.5000 -1.374E-01 X I 0.5500 -1.360E-01 X I 0.6000 -1.266E-01 X I 0.6500 -1.109E-01 X I 0.7000 -9.039E-02 X I 0.7500 -6.655E-02 X I 0.8000 -4.057E-02 X I 0.8500 -1.343E-02 X I 0.9000 1.406E-02 I X 0.9500 4.125E-02 I X 1.0000 6.765E-02 I X 1.1000 1.167E-01 I X 1.2000 1.593E-01 I X 1.3000 1.946E-01 I X 1.4000 2.226E-01 I X 1.5000 2.434E-01 I X 1.6000 2.576E-01 I X 1.7000 2.658E-01 I X 1.8000 2.685E-01 I X 1.9000 2.664E-01 I X 2.0000 2.600E-01 I X 2.1000 2.499E-01 I X 2.2000 2.366E-01 I X 2.3000 2.205E-01 I X 2.4000 2.021E-01 I X 2.5000 1.816E-01 I X 2.6000 1.595E-01 I X 2.7000 1.359E-01 I X 2.8000 1.113E-01 I X 2.9000 8.582E-02 I X 3.0000 5.972E-02 I X 3.1000 3.320E-02 I X 3.2000 6.458E-03 IX 3.3000 -2.032E-02 X I 3.4000 -4.698E-02 X I 3.5000 -7.337E-02 X I 3.6000 -9.936E-02 X I 3.7000 -1.248E-01 X I 3.8000 -1.496E-01 X I 3.9000 -1.737E-01 X I 4.0000 -1.970E-01 X I 4.1000 -2.194E-01 X I 4.2000 -2.409E-01 X I 4.3000 -2.613E-01 X I 4.4000 -2.808E-01 X I 4.5000 -2.991E-01 X I 4.6000 -3.164E-01 X I 4.7000 -3.326E-01 X I 4.8000 -3.476E-01 X I 4.9000 -3.615E-01 X I 5.0000 -3.744E-01 X I 5.2000 -3.968E-01 X I 5.4000 -4.149E-01 X I 5.6000 -4.289E-01 X I 5.8000 -4.390E-01 X I 6.0000 -4.456E-01 X I 6.2000 -4.489E-01 X I 6.4000 -4.492E-01 X I 6.6000 -4.468E-01 X I 6.8000 -4.419E-01 X I 7.0000 -4.350E-01 X I 7.2000 -4.263E-01 X I 7.4000 -4.160E-01 X I 7.6000 -4.043E-01 X I 7.8000 -3.917E-01 X I 8.0000 -3.782E-01 X I 8.2000 -3.640E-01 X I 8.4000 -3.493E-01 X I 8.6000 -3.344E-01 X I 8.8000 -3.193E-01 X I 9.0000 -3.041E-01 X I 9.2000 -2.890E-01 X I 9.4000 -2.741E-01 X I 9.6000 -2.595E-01 X I 9.8000 -2.451E-01 X I 10.0000 -2.312E-01 X I 10.2500 -2.143E-01 X I 10.5000 -1.982E-01 X I 10.7500 -1.829E-01 X I 11.0000 -1.683E-01 X I 11.2500 -1.546E-01 X I 11.5000 -1.418E-01 X I 11.7500 -1.297E-01 X I 12.0000 -1.185E-01 X I 12.2500 -1.080E-01 X I 12.5000 -9.834E-02 X I 12.7500 -8.938E-02 X I 13.0000 -8.112E-02 X I 13.2500 -7.352E-02 X I 13.5000 -6.653E-02 X I 13.7500 -6.014E-02 X I 14.0000 -5.429E-02 X I 14.2500 -4.895E-02 X I 14.5000 -4.408E-02 X I 14.7500 -3.966E-02 X I 15.0000 -3.564E-02 X I 15.5000 -2.869E-02 X I 16.0000 -2.301E-02 X I 16.5000 -1.839E-02 X I 17.0000 -1.465E-02 X I 17.5000 -1.163E-02 XI 18.0000 -9.207E-03 XI 18.5000 -7.270E-03 XI 19.0000 -5.725E-03 XI 19.5000 -4.497E-03 XI 0.0 0.0 0.0 0.0 F d7 4s6p d7 4s 6p 201922.0 174922.0 FIXEDHF 27000.0 15 28.01 CONFIG=d7 4s6p d7 4s L=1 ELIM= 229263.300 N= 6 E= 201922.000 E= -0.24915227 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 8100 NSAVE= 8100 IRREG=0 IFITER=99 NNODES= 4 NUMR 7561 NUMS 7561 NUML 8096 RS 27.013 RL 0.250 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 RMAX 1.33273057 RMIN -1.00000000 RSCALE 1.29391318 DEL 0.69486853 RSCALE 1.29391318 RMAX 1.33273057 RMIN 1.28135318 RSCALE 1.29391318 DEL 0.69487355 RSCALE 1.29391318 DEL 0.69487438 RSCALE 1.29391318 DEL 0.69503483 RSCALE 1.29391227 DEL -0.11232325 RSCALE 1.29783104 DEL 0.01552648 RSCALE 1.29728584 DEL 0.00030488 RSCALE 1.29735205 DEL -0.00000082 RSCALE 1.29735338 DEL 0.00000002 RSCALE 1.29735337 DEL 0.00000001 RSCALE 1.29735337 CNORM= 9.93891E-01 0.0500 2.739E-02 I X 0.1000 5.249E-02 I X 0.1500 5.150E-02 I X 0.2000 3.075E-02 I X 0.2500 1.038E-03 X 0.3000 -2.919E-02 X I 0.3500 -5.478E-02 X I 0.4000 -7.327E-02 X I 0.4500 -8.400E-02 X I 0.5000 -8.734E-02 X I 0.5500 -8.427E-02 X I 0.6000 -7.595E-02 X I 0.6500 -6.359E-02 X I 0.7000 -4.832E-02 X I 0.7500 -3.112E-02 X I 0.8000 -1.284E-02 X I 0.8500 5.843E-03 IX 0.9000 2.438E-02 I X 0.9500 4.234E-02 I X 1.0000 5.942E-02 I X 1.1000 9.004E-02 I X 1.2000 1.152E-01 I X 1.3000 1.344E-01 I X 1.4000 1.480E-01 I X 1.5000 1.562E-01 I X 1.6000 1.596E-01 I X 1.7000 1.586E-01 I X 1.8000 1.539E-01 I X 1.9000 1.460E-01 I X 2.0000 1.354E-01 I X 2.1000 1.224E-01 I X 2.2000 1.076E-01 I X 2.3000 9.124E-02 I X 2.4000 7.371E-02 I X 2.5000 5.527E-02 I X 2.6000 3.621E-02 I X 2.7000 1.677E-02 I X 2.8000 -2.850E-03 X 2.9000 -2.244E-02 X I 3.0000 -4.183E-02 X I 3.1000 -6.085E-02 X I 3.2000 -7.937E-02 X I 3.3000 -9.724E-02 X I 3.4000 -1.144E-01 X I 3.5000 -1.306E-01 X I 3.6000 -1.459E-01 X I 3.7000 -1.602E-01 X I 3.8000 -1.734E-01 X I 3.9000 -1.854E-01 X I 4.0000 -1.962E-01 X I 4.1000 -2.058E-01 X I 4.2000 -2.141E-01 X I 4.3000 -2.212E-01 X I 4.4000 -2.271E-01 X I 4.5000 -2.316E-01 X I 4.6000 -2.349E-01 X I 4.7000 -2.370E-01 X I 4.8000 -2.378E-01 X I 4.9000 -2.375E-01 X I 5.0000 -2.360E-01 X I 5.2000 -2.298E-01 X I 5.4000 -2.195E-01 X I 5.6000 -2.054E-01 X I 5.8000 -1.881E-01 X I 6.0000 -1.679E-01 X I 6.2000 -1.452E-01 X I 6.4000 -1.206E-01 X I 6.6000 -9.436E-02 X I 6.8000 -6.697E-02 X I 7.0000 -3.878E-02 X I 7.2000 -1.015E-02 X I 7.4000 1.859E-02 I X 7.6000 4.714E-02 I X 7.8000 7.524E-02 I X 8.0000 1.026E-01 I X 8.2000 1.291E-01 I X 8.4000 1.546E-01 I X 8.6000 1.788E-01 I X 8.8000 2.016E-01 I X 9.0000 2.230E-01 I X 9.2000 2.429E-01 I X 9.4000 2.612E-01 I X 9.6000 2.780E-01 I X 9.8000 2.930E-01 I X 10.0000 3.065E-01 I X 10.2500 3.211E-01 I X 10.5000 3.332E-01 I X 10.7500 3.430E-01 I X 11.0000 3.505E-01 I X 11.2500 3.559E-01 I X 11.5000 3.592E-01 I X 11.7500 3.607E-01 I X 12.0000 3.605E-01 I X 12.2500 3.586E-01 I X 12.5000 3.554E-01 I X 12.7500 3.508E-01 I X 13.0000 3.451E-01 I X 13.2500 3.384E-01 I X 13.5000 3.308E-01 I X 13.7500 3.224E-01 I X 14.0000 3.135E-01 I X 14.2500 3.040E-01 I X 14.5000 2.941E-01 I X 14.7500 2.839E-01 I X 15.0000 2.734E-01 I X 15.5000 2.522E-01 I X 16.0000 2.308E-01 I X 16.5000 2.099E-01 I X 17.0000 1.897E-01 I X 17.5000 1.705E-01 I X 18.0000 1.525E-01 I X 18.5000 1.357E-01 I X 19.0000 1.202E-01 I X 19.5000 1.061E-01 I X 20.0000 9.320E-02 I X 20.5000 8.160E-02 I X 21.0000 7.121E-02 I X 21.5000 6.194E-02 I X 22.0000 5.371E-02 I X 22.5000 4.644E-02 I X 23.0000 4.005E-02 I X 23.5000 3.445E-02 I X 24.0000 2.955E-02 I X 24.5000 2.530E-02 I X 25.0000 2.161E-02 I X 25.5000 1.842E-02 I X 26.0000 1.567E-02 I X 26.5000 1.330E-02 I X 27.0000 1.127E-02 I X 27.5000 9.536E-03 IX 28.0000 8.054E-03 IX 28.5000 6.791E-03 IX 29.0000 5.717E-03 IX 29.5000 4.806E-03 IX 30.0000 4.034E-03 IX 0.0 0.0 0.0 0.0 G d7 4s7p d7 4s 7p 210848.5 183848.5 FIXEDHF 27000.0 16 28.01 CONFIG=d7 4s7p d7 4s L=1 ELIM= 229263.300 N= 7 E= 210848.500 E= -0.16780801 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 10000 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 5 NUMR 9461 NUMS 9461 NUML 9996 RS 27.013 RL 0.250 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 DEL -0.49625788 RSCALE 1.41389386 DEL 0.27796283 RSCALE 1.42775304 DEL 0.02297873 RSCALE 1.42277728 DEL -0.00115815 RSCALE 1.42232887 DEL 0.00000404 RSCALE 1.42235039 DEL -0.00000026 RSCALE 1.42235032 DEL -0.00000015 RSCALE 1.42235032 DEL 0.00000010 RSCALE 1.42235033 DEL -0.00000006 RSCALE 1.42235032 DEL -0.00000003 RSCALE 1.42235032 DEL 0.00000001 RSCALE 1.42235032 CNORM= 9.96446E-01 0.0500 1.971E-02 I X 0.1000 3.725E-02 I X 0.1500 3.545E-02 I X 0.2000 1.935E-02 I X 0.2500 -2.744E-03 X 0.3000 -2.444E-02 X I 0.3500 -4.196E-02 X I 0.4000 -5.361E-02 X I 0.4500 -5.908E-02 X I 0.5000 -5.890E-02 X I 0.5500 -5.396E-02 X I 0.6000 -4.532E-02 X I 0.6500 -3.400E-02 X I 0.7000 -2.095E-02 X I 0.7500 -6.963E-03 XI 0.8000 7.308E-03 IX 0.8500 2.134E-02 I X 0.9000 3.473E-02 I X 0.9500 4.720E-02 I X 1.0000 5.853E-02 I X 1.1000 7.732E-02 I X 1.2000 9.067E-02 I X 1.3000 9.871E-02 I X 1.4000 1.019E-01 I X 1.5000 1.007E-01 I X 1.6000 9.597E-02 I X 1.7000 8.817E-02 I X 1.8000 7.793E-02 I X 1.9000 6.578E-02 I X 2.0000 5.220E-02 I X 2.1000 3.758E-02 I X 2.2000 2.229E-02 I X 2.3000 6.629E-03 IX 2.4000 -9.132E-03 X I 2.5000 -2.477E-02 X I 2.6000 -4.009E-02 X I 2.7000 -5.492E-02 X I 2.8000 -6.913E-02 X I 2.9000 -8.259E-02 X I 3.0000 -9.520E-02 X I 3.1000 -1.069E-01 X I 3.2000 -1.176E-01 X I 3.3000 -1.272E-01 X I 3.4000 -1.357E-01 X I 3.5000 -1.430E-01 X I 3.6000 -1.492E-01 X I 3.7000 -1.543E-01 X I 3.8000 -1.581E-01 X I 3.9000 -1.608E-01 X I 4.0000 -1.623E-01 X I 4.1000 -1.626E-01 X I 4.2000 -1.618E-01 X I 4.3000 -1.600E-01 X I 4.4000 -1.571E-01 X I 4.5000 -1.532E-01 X I 4.6000 -1.483E-01 X I 4.7000 -1.425E-01 X I 4.8000 -1.359E-01 X I 4.9000 -1.285E-01 X I 5.0000 -1.204E-01 X I 5.2000 -1.023E-01 X I 5.4000 -8.193E-02 X I 5.6000 -5.996E-02 X I 5.8000 -3.682E-02 X I 6.0000 -1.300E-02 X I 6.2000 1.106E-02 I X 6.4000 3.493E-02 I X 6.6000 5.823E-02 I X 6.8000 8.062E-02 I X 7.0000 1.018E-01 I X 7.2000 1.215E-01 I X 7.4000 1.395E-01 I X 7.6000 1.557E-01 I X 7.8000 1.698E-01 I X 8.0000 1.818E-01 I X 8.2000 1.916E-01 I X 8.4000 1.992E-01 I X 8.6000 2.046E-01 I X 8.8000 2.077E-01 I X 9.0000 2.087E-01 I X 9.2000 2.076E-01 I X 9.4000 2.045E-01 I X 9.6000 1.995E-01 I X 9.8000 1.926E-01 I X 10.0000 1.840E-01 I X 10.2500 1.712E-01 I X 10.5000 1.561E-01 I X 10.7500 1.392E-01 I X 11.0000 1.206E-01 I X 11.2500 1.007E-01 I X 11.5000 7.967E-02 I X 11.7500 5.784E-02 I X 12.0000 3.544E-02 I X 12.2500 1.270E-02 I X 12.5000 -1.016E-02 X I 12.7500 -3.293E-02 X I 13.0000 -5.542E-02 X I 13.2500 -7.748E-02 X I 13.5000 -9.894E-02 X I 13.7500 -1.197E-01 X I 14.0000 -1.396E-01 X I 14.2500 -1.585E-01 X I 14.5000 -1.765E-01 X I 14.7500 -1.933E-01 X I 15.0000 -2.090E-01 X I 15.5000 -2.369E-01 X I 16.0000 -2.600E-01 X I 16.5000 -2.782E-01 X I 17.0000 -2.917E-01 X I 17.5000 -3.009E-01 X I 18.0000 -3.060E-01 X I 18.5000 -3.073E-01 X I 19.0000 -3.054E-01 X I 19.5000 -3.007E-01 X I 20.0000 -2.936E-01 X I 20.5000 -2.844E-01 X I 21.0000 -2.737E-01 X I 21.5000 -2.617E-01 X I 22.0000 -2.488E-01 X I 22.5000 -2.353E-01 X I 23.0000 -2.214E-01 X I 23.5000 -2.074E-01 X I 24.0000 -1.935E-01 X I 24.5000 -1.797E-01 X I 25.0000 -1.664E-01 X I 25.5000 -1.534E-01 X I 26.0000 -1.411E-01 X I 26.5000 -1.293E-01 X I 27.0000 -1.181E-01 X I 27.5000 -1.076E-01 X I 28.0000 -9.781E-02 X I 28.5000 -8.866E-02 X I 29.0000 -8.017E-02 X I 29.5000 -7.234E-02 X I 30.0000 -6.512E-02 X I 31.0000 -5.245E-02 X I 32.0000 -4.193E-02 X I 33.0000 -3.328E-02 X I 34.0000 -2.624E-02 X I 35.0000 -2.056E-02 X I 36.0000 -1.603E-02 X I 37.0000 -1.243E-02 X I 38.0000 -9.586E-03 X I 39.0000 -7.362E-03 XI 40.0000 -5.629E-03 XI 41.0000 -4.287E-03 XI 42.0000 -3.252E-03 XI 0.0 0.0 0.0 0.0 H d7 4s8p d7 4s 8p 215747.8 188747.8 FIXEDHF 27000.0 17 28.01 CONFIG=d7 4s8p d7 4s L=1 ELIM= 229263.300 N= 8 E= 215747.800 E= -0.12316230 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 11900 NSAVE=11900 IRREG=0 IFITER=99 NNODES= 6 NUMR 11361 NUMS 11361 NUML 11896 RS 27.013 RL 0.250 DEL -3.98372794 RSCALE 1.50000000 DEL -3.25520514 RSCALE 1.51470320 DEL -2.62608336 RSCALE 1.52955052 DEL -2.07669826 RSCALE 1.54454338 DEL -1.59220332 RSCALE 1.55968321 DEL -1.16104588 RSCALE 1.57497143 DEL -0.77409483 RSCALE 1.59040951 DEL -0.42402918 RSCALE 1.60599892 DEL -0.10490025 RSCALE 1.62174113 DEL -0.00653040 RSCALE 1.62691573 DEL -0.00010530 RSCALE 1.62725925 DEL -0.00000011 RSCALE 1.62726488 DEL 0.00000000 RSCALE 1.62726488 CNORM= 9.98118E-01 0.0500 1.581E-02 I X 0.1000 2.931E-02 I X 0.1500 2.671E-02 I X 0.2000 1.261E-02 I X 0.2500 -5.737E-03 XI 0.3000 -2.287E-02 X I 0.3500 -3.570E-02 X I 0.4000 -4.300E-02 X I 0.4500 -4.480E-02 X I 0.5000 -4.177E-02 X I 0.5500 -3.495E-02 X I 0.6000 -2.539E-02 X I 0.6500 -1.411E-02 X I 0.7000 -2.001E-03 X 0.7500 1.023E-02 I X 0.8000 2.201E-02 I X 0.8500 3.292E-02 I X 0.9000 4.267E-02 I X 0.9500 5.107E-02 I X 1.0000 5.802E-02 I X 1.1000 6.745E-02 I X 1.2000 7.119E-02 I X 1.3000 6.990E-02 I X 1.4000 6.443E-02 I X 1.5000 5.566E-02 I X 1.6000 4.444E-02 I X 1.7000 3.151E-02 I X 1.8000 1.751E-02 I X 1.9000 2.984E-03 IX 2.0000 -1.163E-02 X I 2.1000 -2.597E-02 X I 2.2000 -3.976E-02 X I 2.3000 -5.278E-02 X I 2.4000 -6.487E-02 X I 2.5000 -7.590E-02 X I 2.6000 -8.578E-02 X I 2.7000 -9.446E-02 X I 2.8000 -1.019E-01 X I 2.9000 -1.081E-01 X I 3.0000 -1.130E-01 X I 3.1000 -1.167E-01 X I 3.2000 -1.192E-01 X I 3.3000 -1.204E-01 X I 3.4000 -1.206E-01 X I 3.5000 -1.196E-01 X I 3.6000 -1.175E-01 X I 3.7000 -1.145E-01 X I 3.8000 -1.105E-01 X I 3.9000 -1.056E-01 X I 4.0000 -9.996E-02 X I 4.1000 -9.352E-02 X I 4.2000 -8.639E-02 X I 4.3000 -7.864E-02 X I 4.4000 -7.034E-02 X I 4.5000 -6.157E-02 X I 4.6000 -5.238E-02 X I 4.7000 -4.285E-02 X I 4.8000 -3.305E-02 X I 4.9000 -2.304E-02 X I 5.0000 -1.289E-02 X I 5.2000 7.578E-03 I X 5.4000 2.788E-02 I X 5.6000 4.757E-02 I X 5.8000 6.626E-02 I X 6.0000 8.361E-02 I X 6.2000 9.933E-02 I X 6.4000 1.132E-01 I X 6.6000 1.250E-01 I X 6.8000 1.346E-01 I X 7.0000 1.420E-01 I X 7.2000 1.471E-01 I X 7.4000 1.498E-01 I X 7.6000 1.503E-01 I X 7.8000 1.485E-01 I X 8.0000 1.446E-01 I X 8.2000 1.388E-01 I X 8.4000 1.311E-01 I X 8.6000 1.216E-01 I X 8.8000 1.107E-01 I X 9.0000 9.836E-02 I X 9.2000 8.488E-02 I X 9.4000 7.043E-02 I X 9.6000 5.519E-02 I X 9.8000 3.935E-02 I X 10.0000 2.309E-02 I X 10.2500 2.453E-03 X 10.5000 -1.822E-02 X I 10.7500 -3.863E-02 X I 11.0000 -5.848E-02 X I 11.2500 -7.751E-02 X I 11.5000 -9.550E-02 X I 11.7500 -1.122E-01 X I 12.0000 -1.276E-01 X I 12.2500 -1.413E-01 X I 12.5000 -1.534E-01 X I 12.7500 -1.637E-01 X I 13.0000 -1.722E-01 X I 13.2500 -1.788E-01 X I 13.5000 -1.836E-01 X I 13.7500 -1.865E-01 X I 14.0000 -1.876E-01 X I 14.2500 -1.869E-01 X I 14.5000 -1.845E-01 X I 14.7500 -1.804E-01 X I 15.0000 -1.747E-01 X I 15.5000 -1.591E-01 X I 16.0000 -1.385E-01 X I 16.5000 -1.138E-01 X I 17.0000 -8.585E-02 X I 17.5000 -5.567E-02 X I 18.0000 -2.409E-02 X I 18.5000 8.043E-03 I X 19.0000 4.001E-02 I X 19.5000 7.117E-02 I X 20.0000 1.010E-01 I X 20.5000 1.290E-01 I X 21.0000 1.548E-01 I X 21.5000 1.782E-01 I X 22.0000 1.990E-01 I X 22.5000 2.171E-01 I X 23.0000 2.325E-01 I X 23.5000 2.451E-01 I X 24.0000 2.551E-01 I X 24.5000 2.625E-01 I X 25.0000 2.675E-01 I X 25.5000 2.703E-01 I X 26.0000 2.710E-01 I X 26.5000 2.698E-01 I X 27.0000 2.670E-01 I X 27.5000 2.626E-01 I X 28.0000 2.570E-01 I X 28.5000 2.502E-01 I X 29.0000 2.426E-01 I X 29.5000 2.342E-01 I X 30.0000 2.251E-01 I X 31.0000 2.059E-01 I X 32.0000 1.859E-01 I X 33.0000 1.659E-01 I X 34.0000 1.464E-01 I X 35.0000 1.281E-01 I X 36.0000 1.111E-01 I X 37.0000 9.553E-02 I X 38.0000 8.158E-02 I X 39.0000 6.919E-02 I X 40.0000 5.832E-02 I X 41.0000 4.887E-02 I X 42.0000 4.073E-02 I X 43.0000 3.377E-02 I X 44.0000 2.787E-02 I X 45.0000 2.290E-02 I X 46.0000 1.873E-02 I X 47.0000 1.526E-02 I X 48.0000 1.239E-02 I X 49.0000 1.002E-02 I X 50.0000 8.077E-03 I X 52.0000 5.198E-03 IX 54.0000 3.306E-03 IX 0.0 0.0 0.0 0.0 I d7 4s9p d7 4s 9p 218732.4 191732.4 FIXEDHF 27000.0 18 28.01 CONFIG=d7 4s9p d7 4s L=1 ELIM= 229263.300 N= 9 E= 218732.400 E= -0.09596463 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 13600 NSAVE=13600 IRREG=0 IFITER=99 NNODES= 7 NUMR 13061 NUMS 13061 NUML 13596 RS 27.013 RL 0.250 DEL -21.50502497 RSCALE 1.50000000 DEL -18.18926778 RSCALE 1.51470320 DEL -15.51751241 RSCALE 1.52955052 DEL -13.33166898 RSCALE 1.54454338 DEL -11.51919542 RSCALE 1.55968321 DEL -9.99837058 RSCALE 1.57497143 DEL -8.70867900 RSCALE 1.59040951 DEL -7.60452397 RSCALE 1.60599892 DEL -6.65101343 RSCALE 1.62174113 DEL -5.82107279 RSCALE 1.63763766 DEL -5.09342740 RSCALE 1.65369000 DEL -4.45116750 RSCALE 1.66989969 DEL -3.88071106 RSCALE 1.68626827 DEL -3.37104297 RSCALE 1.70279730 DEL -2.91314958 RSCALE 1.71948835 DEL -2.49959307 RSCALE 1.73634300 DEL -2.12418747 RSCALE 1.75336287 DEL -1.78174949 RSCALE 1.77054957 DEL -1.46790479 RSCALE 1.78790473 DEL -1.17893610 RSCALE 1.80543001 DEL -0.91166298 RSCALE 1.82312708 DEL -0.66334583 RSCALE 1.84099762 DEL -0.43160860 RSCALE 1.85904332 DEL -0.21437600 RSCALE 1.87726591 DEL -0.01432131 RSCALE 1.89524888 DEL -0.00049399 RSCALE 1.89653623 DEL -0.00000116 RSCALE 1.89658222 DEL 0.00000000 RSCALE 1.89658233 CNORM= 9.98307E-01 0.0500 1.351E-02 I X 0.1000 2.456E-02 I X 0.1500 2.134E-02 I X 0.2000 8.321E-03 I X 0.2500 -7.763E-03 X I 0.3000 -2.196E-02 X I 0.3500 -3.161E-02 X I 0.4000 -3.585E-02 X I 0.4500 -3.498E-02 X I 0.5000 -2.988E-02 X I 0.5500 -2.170E-02 X I 0.6000 -1.158E-02 X I 0.6500 -5.594E-04 X 0.7000 1.052E-02 I X 0.7500 2.099E-02 I X 0.8000 3.037E-02 I X 0.8500 3.834E-02 I X 0.9000 4.471E-02 I X 0.9500 4.941E-02 I X 1.0000 5.244E-02 I X 1.1000 5.376E-02 I X 1.2000 4.961E-02 I X 1.3000 4.121E-02 I X 1.4000 2.979E-02 I X 1.5000 1.650E-02 I X 1.6000 2.298E-03 IX 1.7000 -1.203E-02 X I 1.8000 -2.586E-02 X I 1.9000 -3.877E-02 X I 2.0000 -5.042E-02 X I 2.1000 -6.061E-02 X I 2.2000 -6.922E-02 X I 2.3000 -7.619E-02 X I 2.4000 -8.151E-02 X I 2.5000 -8.522E-02 X I 2.6000 -8.738E-02 X I 2.7000 -8.808E-02 X I 2.8000 -8.740E-02 X I 2.9000 -8.546E-02 X I 3.0000 -8.235E-02 X I 3.1000 -7.820E-02 X I 3.2000 -7.310E-02 X I 3.3000 -6.717E-02 X I 3.4000 -6.052E-02 X I 3.5000 -5.325E-02 X I 3.6000 -4.545E-02 X I 3.7000 -3.723E-02 X I 3.8000 -2.867E-02 X I 3.9000 -1.986E-02 X I 4.0000 -1.089E-02 X I 4.1000 -1.824E-03 X 4.2000 7.253E-03 I X 4.3000 1.628E-02 I X 4.4000 2.518E-02 I X 4.5000 3.390E-02 I X 4.6000 4.239E-02 I X 4.7000 5.058E-02 I X 4.8000 5.844E-02 I X 4.9000 6.592E-02 I X 5.0000 7.298E-02 I X 5.2000 8.571E-02 I X 5.4000 9.638E-02 I X 5.6000 1.048E-01 I X 5.8000 1.110E-01 I X 6.0000 1.147E-01 I X 6.2000 1.162E-01 I X 6.4000 1.153E-01 I X 6.6000 1.122E-01 I X 6.8000 1.070E-01 I X 7.0000 9.986E-02 I X 7.2000 9.102E-02 I X 7.4000 8.064E-02 I X 7.6000 6.895E-02 I X 7.8000 5.617E-02 I X 8.0000 4.253E-02 I X 8.2000 2.826E-02 I X 8.4000 1.357E-02 I X 8.6000 -1.310E-03 X 8.8000 -1.617E-02 X I 9.0000 -3.082E-02 X I 9.2000 -4.507E-02 X I 9.4000 -5.875E-02 X I 9.6000 -7.172E-02 X I 9.8000 -8.382E-02 X I 10.0000 -9.495E-02 X I 10.2500 -1.073E-01 X I 10.5000 -1.179E-01 X I 10.7500 -1.265E-01 X I 11.0000 -1.330E-01 X I 11.2500 -1.375E-01 X I 11.5000 -1.398E-01 X I 11.7500 -1.401E-01 X I 12.0000 -1.384E-01 X I 12.2500 -1.348E-01 X I 12.5000 -1.293E-01 X I 12.7500 -1.221E-01 X I 13.0000 -1.134E-01 X I 13.2500 -1.032E-01 X I 13.5000 -9.178E-02 X I 13.7500 -7.928E-02 X I 14.0000 -6.586E-02 X I 14.2500 -5.171E-02 X I 14.5000 -3.699E-02 X I 14.7500 -2.187E-02 X I 15.0000 -6.532E-03 XI 15.5000 2.420E-02 I X 16.0000 5.401E-02 I X 16.5000 8.186E-02 I X 17.0000 1.069E-01 I X 17.5000 1.284E-01 I X 18.0000 1.459E-01 I X 18.5000 1.590E-01 I X 19.0000 1.675E-01 I X 19.5000 1.715E-01 I X 20.0000 1.711E-01 I X 20.5000 1.664E-01 I X 21.0000 1.578E-01 I X 21.5000 1.457E-01 I X 22.0000 1.305E-01 I X 22.5000 1.125E-01 I X 23.0000 9.244E-02 I X 23.5000 7.062E-02 I X 24.0000 4.755E-02 I X 24.5000 2.367E-02 I X 25.0000 -5.795E-04 X 25.5000 -2.483E-02 X I 26.0000 -4.872E-02 X I 26.5000 -7.195E-02 X I 27.0000 -9.424E-02 X I 27.5000 -1.154E-01 X I 28.0000 -1.352E-01 X I 28.5000 -1.534E-01 X I 29.0000 -1.701E-01 X I 29.5000 -1.851E-01 X I 30.0000 -1.984E-01 X I 31.0000 -2.197E-01 X I 32.0000 -2.343E-01 X I 33.0000 -2.425E-01 X I 34.0000 -2.451E-01 X I 35.0000 -2.428E-01 X I 36.0000 -2.364E-01 X I 37.0000 -2.268E-01 X I 38.0000 -2.147E-01 X I 39.0000 -2.010E-01 X I 40.0000 -1.862E-01 X I 41.0000 -1.709E-01 X I 42.0000 -1.555E-01 X I 43.0000 -1.404E-01 X I 44.0000 -1.258E-01 X I 45.0000 -1.120E-01 X I 46.0000 -9.907E-02 X I 47.0000 -8.715E-02 X I 48.0000 -7.625E-02 X I 49.0000 -6.637E-02 X I 50.0000 -5.750E-02 X I 52.0000 -4.260E-02 X I 54.0000 -3.105E-02 X I 56.0000 -2.231E-02 X I 58.0000 -1.583E-02 X I 60.0000 -1.109E-02 X I 62.0000 -7.693E-03 X I 64.0000 -5.282E-03 XI 66.0000 -3.593E-03 XI 0.0 0.0 0.0 0.0 J d7 4s10p d7 4s 10p 220687.0 193687.0 FIXEDHF 27000.0 19 28.01 CONFIG=d7 4s10p d7 4s L=1 ELIM= 229263.300 N=10 E= 220687.000 E= -0.07815300 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 15300 NSAVE=15300 IRREG=0 IFITER=99 NNODES= 8 NUMR 14761 NUMS 14761 NUML 15296 RS 27.013 RL 0.250 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 RMAX -1.00000000 RMIN 1.54500000 RSCALE 1.59135000 RMAX -1.00000000 RMIN 1.59135000 RSCALE 1.63909050 RMAX -1.00000000 RMIN 1.63909050 RSCALE 1.68826322 RMAX -1.00000000 RMIN 1.68826322 RSCALE 1.73891111 DEL -43.75044991 RSCALE 1.73891111 DEL -30.96299357 RSCALE 1.75595615 DEL -23.51537573 RSCALE 1.77316827 DEL -18.64914287 RSCALE 1.79054910 DEL -15.22565461 RSCALE 1.80810030 DEL -12.68940846 RSCALE 1.82582355 DEL -10.73716782 RSCALE 1.84372051 DEL -9.18940427 RSCALE 1.86179291 DEL -7.93307882 RSCALE 1.88004245 DEL -6.89348797 RSCALE 1.89847088 DEL -6.01929505 RSCALE 1.91707995 DEL -5.27406484 RSCALE 1.93587142 DEL -4.63122782 RSCALE 1.95484709 DEL -4.07095588 RSCALE 1.97400876 DEL -3.57815334 RSCALE 1.99335826 DEL -3.14112510 RSCALE 2.01289743 DEL -2.75066967 RSCALE 2.03262812 DEL -2.39944714 RSCALE 2.05255221 DEL -2.08152934 RSCALE 2.07267160 DEL -1.79207382 RSCALE 2.09298821 DEL -1.52708354 RSCALE 2.11350396 DEL -1.28322712 RSCALE 2.13422081 DEL -1.05770236 RSCALE 2.15514073 DEL -0.84813139 RSCALE 2.17626570 DEL -0.65247911 RSCALE 2.19759775 DEL -0.46898891 RSCALE 2.21913890 DEL -0.29613159 RSCALE 2.24089120 DEL -0.13256411 RSCALE 2.26285671 DEL -0.00707984 RSCALE 2.28065878 DEL -0.00017269 RSCALE 2.28166317 DEL -0.00000023 RSCALE 2.28168829 DEL 0.00000000 RSCALE 2.28168832 CNORM= 9.98655E-01 0.0500 1.151E-02 I X 0.1000 2.049E-02 I X 0.1500 1.685E-02 I X 0.2000 4.954E-03 IX 0.2500 -8.980E-03 X I 0.3000 -2.048E-02 X I 0.3500 -2.730E-02 X I 0.4000 -2.893E-02 X I 0.4500 -2.594E-02 X I 0.5000 -1.940E-02 X I 0.5500 -1.058E-02 X I 0.6000 -6.694E-04 X 0.6500 9.321E-03 I X 0.7000 1.860E-02 I X 0.7500 2.661E-02 I X 0.8000 3.298E-02 I X 0.8500 3.754E-02 I X 0.9000 4.024E-02 I X 0.9500 4.113E-02 I X 1.0000 4.033E-02 I X 1.1000 3.445E-02 I X 1.2000 2.427E-02 I X 1.3000 1.151E-02 I X 1.4000 -2.321E-03 XI 1.5000 -1.600E-02 X I 1.6000 -2.861E-02 X I 1.7000 -3.955E-02 X I 1.8000 -4.843E-02 X I 1.9000 -5.508E-02 X I 2.0000 -5.946E-02 X I 2.1000 -6.163E-02 X I 2.2000 -6.176E-02 X I 2.3000 -6.002E-02 X I 2.4000 -5.663E-02 X I 2.5000 -5.182E-02 X I 2.6000 -4.582E-02 X I 2.7000 -3.885E-02 X I 2.8000 -3.113E-02 X I 2.9000 -2.284E-02 X I 3.0000 -1.416E-02 X I 3.1000 -5.262E-03 XI 3.2000 3.715E-03 IX 3.3000 1.264E-02 I X 3.4000 2.141E-02 I X 3.5000 2.991E-02 I X 3.6000 3.807E-02 I X 3.7000 4.581E-02 I X 3.8000 5.308E-02 I X 3.9000 5.981E-02 I X 4.0000 6.598E-02 I X 4.1000 7.155E-02 I X 4.2000 7.649E-02 I X 4.3000 8.078E-02 I X 4.4000 8.442E-02 I X 4.5000 8.740E-02 I X 4.6000 8.972E-02 I X 4.7000 9.137E-02 I X 4.8000 9.238E-02 I X 4.9000 9.274E-02 I X 5.0000 9.248E-02 I X 5.2000 9.016E-02 I X 5.4000 8.558E-02 I X 5.6000 7.895E-02 I X 5.8000 7.052E-02 I X 6.0000 6.052E-02 I X 6.2000 4.924E-02 I X 6.4000 3.694E-02 I X 6.6000 2.391E-02 I X 6.8000 1.041E-02 I X 7.0000 -3.281E-03 XI 7.2000 -1.691E-02 X I 7.4000 -3.025E-02 X I 7.6000 -4.308E-02 X I 7.8000 -5.519E-02 X I 8.0000 -6.642E-02 X I 8.2000 -7.661E-02 X I 8.4000 -8.564E-02 X I 8.6000 -9.341E-02 X I 8.8000 -9.983E-02 X I 9.0000 -1.049E-01 X I 9.2000 -1.085E-01 X I 9.4000 -1.106E-01 X I 9.6000 -1.113E-01 X I 9.8000 -1.106E-01 X I 10.0000 -1.086E-01 X I 10.2500 -1.042E-01 X I 10.5000 -9.785E-02 X I 10.7500 -8.979E-02 X I 11.0000 -8.019E-02 X I 11.2500 -6.924E-02 X I 11.5000 -5.715E-02 X I 11.7500 -4.416E-02 X I 12.0000 -3.048E-02 X I 12.2500 -1.635E-02 X I 12.5000 -1.971E-03 X 12.7500 1.243E-02 I X 13.0000 2.667E-02 I X 13.2500 4.054E-02 I X 13.5000 5.388E-02 I X 13.7500 6.651E-02 I X 14.0000 7.831E-02 I X 14.2500 8.915E-02 I X 14.5000 9.891E-02 I X 14.7500 1.075E-01 I X 15.0000 1.149E-01 I X 15.5000 1.257E-01 I X 16.0000 1.312E-01 I X 16.5000 1.313E-01 I X 17.0000 1.262E-01 I X 17.5000 1.165E-01 I X 18.0000 1.025E-01 I X 18.5000 8.505E-02 I X 19.0000 6.477E-02 I X 19.5000 4.243E-02 I X 20.0000 1.880E-02 I X 20.5000 -5.381E-03 XI 21.0000 -2.942E-02 X I 21.5000 -5.267E-02 X I 22.0000 -7.456E-02 X I 22.5000 -9.460E-02 X I 23.0000 -1.124E-01 X I 23.5000 -1.276E-01 X I 24.0000 -1.400E-01 X I 24.5000 -1.494E-01 X I 25.0000 -1.558E-01 X I 25.5000 -1.591E-01 X I 26.0000 -1.594E-01 X I 26.5000 -1.569E-01 X I 27.0000 -1.515E-01 X I 27.5000 -1.437E-01 X I 28.0000 -1.335E-01 X I 28.5000 -1.212E-01 X I 29.0000 -1.072E-01 X I 29.5000 -9.156E-02 X I 30.0000 -7.469E-02 X I 31.0000 -3.825E-02 X I 32.0000 7.111E-05 X 33.0000 3.841E-02 I X 34.0000 7.520E-02 I X 35.0000 1.092E-01 I X 36.0000 1.394E-01 I X 37.0000 1.653E-01 I X 38.0000 1.865E-01 I X 39.0000 2.029E-01 I X 40.0000 2.146E-01 I X 41.0000 2.219E-01 I X 42.0000 2.252E-01 I X 43.0000 2.249E-01 I X 44.0000 2.215E-01 I X 45.0000 2.155E-01 I X 46.0000 2.074E-01 I X 47.0000 1.977E-01 I X 48.0000 1.867E-01 I X 49.0000 1.750E-01 I X 50.0000 1.628E-01 I X 52.0000 1.381E-01 I X 54.0000 1.144E-01 I X 56.0000 9.287E-02 I X 58.0000 7.404E-02 I X 60.0000 5.808E-02 I X 62.0000 4.490E-02 I X 64.0000 3.426E-02 I X 66.0000 2.583E-02 I X 68.0000 1.927E-02 I X 70.0000 1.422E-02 I X 72.0000 1.041E-02 I X 74.0000 7.546E-03 I X 76.0000 5.429E-03 IX 78.0000 3.877E-03 IX 80.0000 2.750E-03 IX 0.0 0.0 0.0 0.0 K d7 4s11p d7 4s 11p 222038.2 195038.2 FIXEDHF 27000.0 20 28.01 CONFIG=d7 4s11p d7 4s L=1 ELIM= 229263.300 N=11 E= 222038.200 E= -0.06583996 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 16900 NSAVE=16900 IRREG=0 IFITER=99 NNODES= 9 NUMR 16361 NUMS 16361 NUML 16896 RS 27.013 RL 0.250 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 RMAX -1.00000000 RMIN 1.54500000 RSCALE 1.59135000 RMAX -1.00000000 RMIN 1.59135000 RSCALE 1.63909050 RMAX -1.00000000 RMIN 1.63909050 RSCALE 1.68826322 RMAX -1.00000000 RMIN 1.68826322 RSCALE 1.73891111 RMAX -1.00000000 RMIN 1.73891111 RSCALE 1.79107844 RMAX -1.00000000 RMIN 1.79107844 RSCALE 1.84481080 RMAX -1.00000000 RMIN 1.84481080 RSCALE 1.90015512 RMAX -1.00000000 RMIN 1.90015512 RSCALE 1.95715978 RMAX -1.00000000 RMIN 1.95715978 RSCALE 2.01587457 RMAX -1.00000000 RMIN 2.01587457 RSCALE 2.07635081 RMAX -1.00000000 RMIN 2.07635081 RSCALE 2.13864133 RMAX -1.00000000 RMIN 2.13864133 RSCALE 2.20280057 DEL -226.40783727 RSCALE 2.20280057 DEL -46.52079481 RSCALE 2.22439272 DEL -38.35947058 RSCALE 2.22997669 DEL -22.39316034 RSCALE 2.25183522 DEL -15.46723016 RSCALE 2.27390801 DEL -11.58992675 RSCALE 2.29619716 DEL -9.10640431 RSCALE 2.31870479 DEL -7.37605368 RSCALE 2.34143305 DEL -6.09870223 RSCALE 2.36438409 DEL -5.11497340 RSCALE 2.38756010 DEL -4.33238754 RSCALE 2.41096328 DEL -3.69358557 RSCALE 2.43459586 DEL -3.16109379 RSCALE 2.45846010 DEL -2.70938569 RSCALE 2.48255826 DEL -2.32046479 RSCALE 2.50689262 DEL -1.98127221 RSCALE 2.53146552 DEL -1.68209554 RSCALE 2.55627929 DEL -1.41555497 RSCALE 2.58133628 DEL -1.17593677 RSCALE 2.60663888 DEL -0.95874204 RSCALE 2.63218951 DEL -0.76037378 RSCALE 2.65799058 DEL -0.57791551 RSCALE 2.68404456 DEL -0.40897075 RSCALE 2.71035392 DEL -0.25154527 RSCALE 2.73692118 DEL -0.10395875 RSCALE 2.76374884 DEL -0.00592143 RSCALE 2.78264604 DEL -0.00014242 RSCALE 2.78378742 DEL -0.00000020 RSCALE 2.78381555 DEL 0.00000000 RSCALE 2.78381559 CNORM= 9.98559E-01 0.0500 1.025E-02 I X 0.1000 1.789E-02 I X 0.1500 1.394E-02 I X 0.2000 2.721E-03 IX 0.2500 -9.766E-03 X I 0.3000 -1.935E-02 X I 0.3500 -2.411E-02 X I 0.4000 -2.382E-02 X I 0.4500 -1.930E-02 X I 0.5000 -1.182E-02 X I 0.5500 -2.768E-03 XI 0.6000 6.626E-03 I X 0.6500 1.537E-02 I X 0.7000 2.275E-02 I X 0.7500 2.832E-02 I X 0.8000 3.187E-02 I X 0.8500 3.335E-02 I X 0.9000 3.289E-02 I X 0.9500 3.066E-02 I X 1.0000 2.695E-02 I X 1.1000 1.621E-02 I X 1.2000 2.994E-03 IX 1.3000 -1.065E-02 X I 1.4000 -2.315E-02 X I 1.5000 -3.345E-02 X I 1.6000 -4.095E-02 X I 1.7000 -4.543E-02 X I 1.8000 -4.691E-02 X I 1.9000 -4.565E-02 X I 2.0000 -4.199E-02 X I 2.1000 -3.634E-02 X I 2.2000 -2.914E-02 X I 2.3000 -2.080E-02 X I 2.4000 -1.172E-02 X I 2.5000 -2.268E-03 XI 2.6000 7.260E-03 I X 2.7000 1.659E-02 I X 2.8000 2.552E-02 I X 2.9000 3.385E-02 I X 3.0000 4.146E-02 I X 3.1000 4.824E-02 I X 3.2000 5.413E-02 I X 3.3000 5.908E-02 I X 3.4000 6.307E-02 I X 3.5000 6.609E-02 I X 3.6000 6.816E-02 I X 3.7000 6.930E-02 I X 3.8000 6.955E-02 I X 3.9000 6.895E-02 I X 4.0000 6.756E-02 I X 4.1000 6.542E-02 I X 4.2000 6.260E-02 I X 4.3000 5.915E-02 I X 4.4000 5.513E-02 I X 4.5000 5.061E-02 I X 4.6000 4.564E-02 I X 4.7000 4.029E-02 I X 4.8000 3.460E-02 I X 4.9000 2.864E-02 I X 5.0000 2.247E-02 I X 5.2000 9.676E-03 I X 5.4000 -3.388E-03 XI 5.6000 -1.637E-02 X I 5.8000 -2.895E-02 X I 6.0000 -4.085E-02 X I 6.2000 -5.184E-02 X I 6.4000 -6.172E-02 X I 6.6000 -7.032E-02 X I 6.8000 -7.753E-02 X I 7.0000 -8.325E-02 X I 7.2000 -8.742E-02 X I 7.4000 -9.002E-02 X I 7.6000 -9.104E-02 X I 7.8000 -9.051E-02 X I 8.0000 -8.848E-02 X I 8.2000 -8.503E-02 X I 8.4000 -8.025E-02 X I 8.6000 -7.424E-02 X I 8.8000 -6.713E-02 X I 9.0000 -5.904E-02 X I 9.2000 -5.012E-02 X I 9.4000 -4.051E-02 X I 9.6000 -3.035E-02 X I 9.8000 -1.979E-02 X I 10.0000 -8.972E-03 X I 10.2500 4.689E-03 IX 10.5000 1.826E-02 I X 10.7500 3.150E-02 I X 11.0000 4.417E-02 I X 11.2500 5.606E-02 I X 11.5000 6.700E-02 I X 11.7500 7.682E-02 I X 12.0000 8.539E-02 I X 12.2500 9.262E-02 I X 12.5000 9.841E-02 I X 12.7500 1.027E-01 I X 13.0000 1.055E-01 I X 13.2500 1.068E-01 I X 13.5000 1.066E-01 I X 13.7500 1.049E-01 I X 14.0000 1.018E-01 I X 14.2500 9.743E-02 I X 14.5000 9.177E-02 I X 14.7500 8.497E-02 I X 15.0000 7.712E-02 I X 15.5000 5.877E-02 I X 16.0000 3.772E-02 I X 16.5000 1.501E-02 I X 17.0000 -8.346E-03 X I 17.5000 -3.137E-02 X I 18.0000 -5.317E-02 X I 18.5000 -7.299E-02 X I 19.0000 -9.018E-02 X I 19.5000 -1.043E-01 X I 20.0000 -1.148E-01 X I 20.5000 -1.217E-01 X I 21.0000 -1.248E-01 X I 21.5000 -1.242E-01 X I 22.0000 -1.200E-01 X I 22.5000 -1.124E-01 X I 23.0000 -1.018E-01 X I 23.5000 -8.858E-02 X I 24.0000 -7.310E-02 X I 24.5000 -5.584E-02 X I 25.0000 -3.727E-02 X I 25.5000 -1.785E-02 X I 26.0000 1.958E-03 IX 26.5000 2.173E-02 I X 27.0000 4.106E-02 I X 27.5000 5.958E-02 I X 28.0000 7.695E-02 I X 28.5000 9.289E-02 I X 29.0000 1.072E-01 I X 29.5000 1.196E-01 I X 30.0000 1.300E-01 I X 31.0000 1.444E-01 I X 32.0000 1.500E-01 I X 33.0000 1.470E-01 I X 34.0000 1.363E-01 I X 35.0000 1.187E-01 I X 36.0000 9.555E-02 I X 37.0000 6.825E-02 I X 38.0000 3.815E-02 I X 39.0000 6.598E-03 I X 40.0000 -2.520E-02 X I 41.0000 -5.619E-02 X I 42.0000 -8.548E-02 X I 43.0000 -1.124E-01 X I 44.0000 -1.363E-01 X I 45.0000 -1.570E-01 X I 46.0000 -1.743E-01 X I 47.0000 -1.880E-01 X I 48.0000 -1.983E-01 X I 49.0000 -2.053E-01 X I 50.0000 -2.093E-01 X I 52.0000 -2.091E-01 X I 54.0000 -2.003E-01 X I 56.0000 -1.853E-01 X I 58.0000 -1.667E-01 X I 60.0000 -1.464E-01 X I 62.0000 -1.259E-01 X I 64.0000 -1.062E-01 X I 66.0000 -8.822E-02 X I 68.0000 -7.218E-02 X I 70.0000 -5.827E-02 X I 72.0000 -4.648E-02 X I 74.0000 -3.666E-02 X I 76.0000 -2.863E-02 X I 78.0000 -2.214E-02 X I 80.0000 -1.698E-02 X I 82.0000 -1.292E-02 X I 84.0000 -9.751E-03 X I 86.0000 -7.310E-03 X I 88.0000 -5.443E-03 XI 90.0000 -4.028E-03 XI 92.0000 -2.964E-03 XI 94.0000 -2.168E-03 XI 0.0 0.0 0.0 0.0 L d7 4s12p d7 4s 12p 223009.2 196009.2 FIXEDHF 27000.0 21 28.01 CONFIG=d7 4s12p d7 4s L=1 ELIM= 229263.300 N=12 E= 223009.200 E= -0.05699156 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 18300 NSAVE=18300 IRREG=0 IFITER=99 NNODES=10 NUMR 17761 NUMS 17761 NUML 18296 RS 27.013 RL 0.250 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 RMAX -1.00000000 RMIN 1.54500000 RSCALE 1.59135000 RMAX -1.00000000 RMIN 1.59135000 RSCALE 1.63909050 RMAX -1.00000000 RMIN 1.63909050 RSCALE 1.68826322 RMAX -1.00000000 RMIN 1.68826322 RSCALE 1.73891111 RMAX -1.00000000 RMIN 1.73891111 RSCALE 1.79107844 RMAX -1.00000000 RMIN 1.79107844 RSCALE 1.84481080 RMAX -1.00000000 RMIN 1.84481080 RSCALE 1.90015512 RMAX -1.00000000 RMIN 1.90015512 RSCALE 1.95715978 RMAX -1.00000000 RMIN 1.95715978 RSCALE 2.01587457 RMAX -1.00000000 RMIN 2.01587457 RSCALE 2.07635081 RMAX -1.00000000 RMIN 2.07635081 RSCALE 2.13864133 RMAX -1.00000000 RMIN 2.13864133 RSCALE 2.20280057 RMAX -1.00000000 RMIN 2.20280057 RSCALE 2.26888459 RMAX -1.00000000 RMIN 2.26888459 RSCALE 2.33695112 RMAX -1.00000000 RMIN 2.33695112 RSCALE 2.40705966 RMAX -1.00000000 RMIN 2.40705966 RSCALE 2.47927145 RMAX -1.00000000 RMIN 2.47927145 RSCALE 2.55364959 RMAX -1.00000000 RMIN 2.55364959 RSCALE 2.63025908 RMAX -1.00000000 RMIN 2.63025908 RSCALE 2.70916685 RMAX -1.00000000 RMIN 2.70916685 RSCALE 2.79044186 RMAX -1.00000000 RMIN 2.79044186 RSCALE 2.87415511 DEL -34.23726534 RSCALE 2.87415511 DEL -17.04635750 RSCALE 2.90232797 DEL -11.09302581 RSCALE 2.93026393 DEL -7.97804616 RSCALE 2.95898677 DEL -6.08308496 RSCALE 2.98799115 DEL -4.80384568 RSCALE 3.01727984 DEL -3.87856345 RSCALE 3.04685562 DEL -3.17541390 RSCALE 3.07672131 DEL -2.62077059 RSCALE 3.10687975 DEL -2.17026746 RSCALE 3.13733380 DEL -1.79556487 RSCALE 3.16808636 DEL -1.47770157 RSCALE 3.19914037 DEL -1.20350149 RSCALE 3.23049877 DEL -0.96351391 RSCALE 3.26216455 DEL -0.75077424 RSCALE 3.29414073 DEL -0.56002738 RSCALE 3.32643034 DEL -0.38722388 RSCALE 3.35903645 DEL -0.22918301 RSCALE 3.39196218 DEL -0.08336126 RSCALE 3.42521065 DEL -0.00526391 RSCALE 3.44421765 DEL -0.00012424 RSCALE 3.44549876 DEL -0.00000019 RSCALE 3.44552972 DEL 0.00000000 RSCALE 3.44552977 CNORM= 9.98580E-01 0.0500 9.303E-03 I X 0.1000 1.594E-02 I X 0.1500 1.177E-02 I X 0.2000 1.130E-03 X 0.2500 -1.018E-02 X I 0.3000 -1.822E-02 X I 0.3500 -2.134E-02 X I 0.4000 -1.958E-02 X I 0.4500 -1.399E-02 X I 0.5000 -6.029E-03 X I 0.5500 2.846E-03 IX 0.6000 1.138E-02 I X 0.6500 1.863E-02 I X 0.7000 2.400E-02 I X 0.7500 2.717E-02 I X 0.8000 2.811E-02 I X 0.8500 2.694E-02 I X 0.9000 2.393E-02 I X 0.9500 1.943E-02 I X 1.0000 1.381E-02 I X 1.1000 7.359E-04 X 1.2000 -1.253E-02 X I 1.3000 -2.391E-02 X I 1.4000 -3.212E-02 X I 1.5000 -3.657E-02 X I 1.6000 -3.724E-02 X I 1.7000 -3.447E-02 X I 1.8000 -2.887E-02 X I 1.9000 -2.113E-02 X I 2.0000 -1.198E-02 X I 2.1000 -2.104E-03 XI 2.2000 7.897E-03 I X 2.3000 1.751E-02 I X 2.4000 2.634E-02 I X 2.5000 3.409E-02 I X 2.6000 4.053E-02 I X 2.7000 4.556E-02 I X 2.8000 4.911E-02 I X 2.9000 5.118E-02 I X 3.0000 5.183E-02 I X 3.1000 5.113E-02 I X 3.2000 4.919E-02 I X 3.3000 4.615E-02 I X 3.4000 4.212E-02 I X 3.5000 3.726E-02 I X 3.6000 3.170E-02 I X 3.7000 2.558E-02 I X 3.8000 1.904E-02 I X 3.9000 1.220E-02 I X 4.0000 5.180E-03 IX 4.1000 -1.915E-03 XI 4.2000 -8.985E-03 X I 4.3000 -1.594E-02 X I 4.4000 -2.271E-02 X I 4.5000 -2.921E-02 X I 4.6000 -3.540E-02 X I 4.7000 -4.121E-02 X I 4.8000 -4.662E-02 X I 4.9000 -5.157E-02 X I 5.0000 -5.605E-02 X I 5.2000 -6.350E-02 X I 5.4000 -6.887E-02 X I 5.6000 -7.213E-02 X I 5.8000 -7.333E-02 X I 6.0000 -7.257E-02 X I 6.2000 -6.996E-02 X I 6.4000 -6.567E-02 X I 6.6000 -5.989E-02 X I 6.8000 -5.281E-02 X I 7.0000 -4.463E-02 X I 7.2000 -3.557E-02 X I 7.4000 -2.583E-02 X I 7.6000 -1.561E-02 X I 7.8000 -5.109E-03 XI 8.0000 5.477E-03 I X 8.2000 1.597E-02 I X 8.4000 2.621E-02 I X 8.6000 3.604E-02 I X 8.8000 4.532E-02 I X 9.0000 5.393E-02 I X 9.2000 6.175E-02 I X 9.4000 6.870E-02 I X 9.6000 7.471E-02 I X 9.8000 7.970E-02 I X 10.0000 8.364E-02 I X 10.2500 8.705E-02 I X 10.5000 8.875E-02 I X 10.7500 8.876E-02 I X 11.0000 8.712E-02 I X 11.2500 8.390E-02 I X 11.5000 7.919E-02 I X 11.7500 7.313E-02 I X 12.0000 6.584E-02 I X 12.2500 5.747E-02 I X 12.5000 4.818E-02 I X 12.7500 3.813E-02 I X 13.0000 2.751E-02 I X 13.2500 1.647E-02 I X 13.5000 5.190E-03 IX 13.7500 -6.162E-03 X I 14.0000 -1.743E-02 X I 14.2500 -2.846E-02 X I 14.5000 -3.911E-02 X I 14.7500 -4.925E-02 X I 15.0000 -5.876E-02 X I 15.5000 -7.548E-02 X I 16.0000 -8.858E-02 X I 16.5000 -9.759E-02 X I 17.0000 -1.023E-01 X I 17.5000 -1.026E-01 X I 18.0000 -9.871E-02 X I 18.5000 -9.089E-02 X I 19.0000 -7.961E-02 X I 19.5000 -6.538E-02 X I 20.0000 -4.882E-02 X I 20.5000 -3.057E-02 X I 21.0000 -1.131E-02 X I 21.5000 8.322E-03 I X 22.0000 2.770E-02 I X 22.5000 4.624E-02 I X 23.0000 6.344E-02 I X 23.5000 7.885E-02 I X 24.0000 9.211E-02 I X 24.5000 1.029E-01 I X 25.0000 1.111E-01 I X 25.5000 1.165E-01 I X 26.0000 1.191E-01 I X 26.5000 1.189E-01 I X 27.0000 1.160E-01 I X 27.5000 1.106E-01 I X 28.0000 1.027E-01 I X 28.5000 9.278E-02 I X 29.0000 8.094E-02 I X 29.5000 6.751E-02 I X 30.0000 5.280E-02 I X 31.0000 2.074E-02 I X 32.0000 -1.277E-02 X I 33.0000 -4.547E-02 X I 34.0000 -7.537E-02 X I 35.0000 -1.009E-01 X I 36.0000 -1.208E-01 X I 37.0000 -1.344E-01 X I 38.0000 -1.413E-01 X I 39.0000 -1.417E-01 X I 40.0000 -1.358E-01 X I 41.0000 -1.242E-01 X I 42.0000 -1.078E-01 X I 43.0000 -8.738E-02 X I 44.0000 -6.389E-02 X I 45.0000 -3.831E-02 X I 46.0000 -1.153E-02 X I 47.0000 1.559E-02 I X 48.0000 4.229E-02 I X 49.0000 6.793E-02 I X 50.0000 9.195E-02 I X 52.0000 1.336E-01 I X 54.0000 1.651E-01 I X 56.0000 1.859E-01 I X 58.0000 1.965E-01 I X 60.0000 1.981E-01 I X 62.0000 1.926E-01 I X 64.0000 1.816E-01 I X 66.0000 1.670E-01 I X 68.0000 1.503E-01 I X 70.0000 1.327E-01 I X 72.0000 1.152E-01 I X 74.0000 9.849E-02 I X 76.0000 8.309E-02 I X 78.0000 6.925E-02 I X 80.0000 5.707E-02 I X 82.0000 4.655E-02 I X 84.0000 3.761E-02 I X 86.0000 3.012E-02 I X 88.0000 2.393E-02 I X 90.0000 1.886E-02 I X 92.0000 1.477E-02 I X 94.0000 1.148E-02 I X 96.0000 8.871E-03 I X 98.0000 6.814E-03 I X 100.0000 5.204E-03 IX 102.0000 3.954E-03 IX 104.0000 2.989E-03 IX 106.0000 2.249E-03 IX 0.0 0.0 0.0 0.0 M d7 4s13p d7 4s 13p 223730.6 196730.6 FIXEDHF 27000.0 22 28.01 CONFIG=d7 4s13p d7 4s L=1 ELIM= 229263.300 N=13 E= 223730.600 E= -0.05041767 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 19700 NSAVE=19700 IRREG=0 IFITER=99 NNODES=11 NUMR 19161 NUMS 19161 NUML 19696 RS 27.013 RL 0.250 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 RMAX -1.00000000 RMIN 1.54500000 RSCALE 1.59135000 RMAX -1.00000000 RMIN 1.59135000 RSCALE 1.63909050 RMAX -1.00000000 RMIN 1.63909050 RSCALE 1.68826322 RMAX -1.00000000 RMIN 1.68826322 RSCALE 1.73891111 RMAX -1.00000000 RMIN 1.73891111 RSCALE 1.79107844 RMAX -1.00000000 RMIN 1.79107844 RSCALE 1.84481080 RMAX -1.00000000 RMIN 1.84481080 RSCALE 1.90015512 RMAX -1.00000000 RMIN 1.90015512 RSCALE 1.95715978 RMAX -1.00000000 RMIN 1.95715978 RSCALE 2.01587457 RMAX -1.00000000 RMIN 2.01587457 RSCALE 2.07635081 RMAX -1.00000000 RMIN 2.07635081 RSCALE 2.13864133 RMAX -1.00000000 RMIN 2.13864133 RSCALE 2.20280057 RMAX -1.00000000 RMIN 2.20280057 RSCALE 2.26888459 RMAX -1.00000000 RMIN 2.26888459 RSCALE 2.33695112 RMAX -1.00000000 RMIN 2.33695112 RSCALE 2.40705966 RMAX -1.00000000 RMIN 2.40705966 RSCALE 2.47927145 RMAX -1.00000000 RMIN 2.47927145 RSCALE 2.55364959 RMAX -1.00000000 RMIN 2.55364959 RSCALE 2.63025908 RMAX -1.00000000 RMIN 2.63025908 RSCALE 2.70916685 RMAX -1.00000000 RMIN 2.70916685 RSCALE 2.79044186 RMAX -1.00000000 RMIN 2.79044186 RSCALE 2.87415511 RMAX -1.00000000 RMIN 2.87415511 RSCALE 2.96037977 RMAX -1.00000000 RMIN 2.96037977 RSCALE 3.04919116 RMAX -1.00000000 RMIN 3.04919116 RSCALE 3.14066689 RMAX -1.00000000 RMIN 3.14066689 RSCALE 3.23488690 RMAX -1.00000000 RMIN 3.23488690 RSCALE 3.33193351 RMAX -1.00000000 RMIN 3.33193351 RSCALE 3.43189151 RMAX -1.00000000 RMIN 3.43189151 RSCALE 3.53484826 RMAX -1.00000000 RMIN 3.53484826 RSCALE 3.64089371 RMAX -1.00000000 RMIN 3.64089371 RSCALE 3.75012052 DEL -9.90320940 RSCALE 3.75012052 DEL -6.59610012 RSCALE 3.78687970 DEL -4.78084334 RSCALE 3.82399920 DEL -3.62739706 RSCALE 3.86148256 DEL -2.82510630 RSCALE 3.89933333 DEL -2.23138346 RSCALE 3.93755511 DEL -1.77157055 RSCALE 3.97615156 DEL -1.40277339 RSCALE 4.01512633 DEL -1.09857632 RSCALE 4.05448313 DEL -0.84180692 RSCALE 4.09422572 DEL -0.62080341 RSCALE 4.13435787 DEL -0.42735372 RSCALE 4.17488340 DEL -0.25549306 RSCALE 4.21580617 DEL -0.10076944 RSCALE 4.25713006 DEL -0.00828743 RSCALE 4.28404377 DEL -0.00028035 RSCALE 4.28645554 DEL -0.00000079 RSCALE 4.28653998 DEL 0.00000000 RSCALE 4.28654022 CNORM= 9.98430E-01 0.0500 8.533E-03 I X 0.1000 1.439E-02 I X 0.1500 1.012E-02 I X 0.2000 2.176E-05 X 0.2500 -1.027E-02 X I 0.3000 -1.705E-02 X I 0.3500 -1.890E-02 X I 0.4000 -1.609E-02 X I 0.4500 -9.863E-03 X I 0.5000 -1.802E-03 XI 0.5500 6.577E-03 I X 0.6000 1.404E-02 I X 0.6500 1.975E-02 I X 0.7000 2.321E-02 I X 0.7500 2.429E-02 I X 0.8000 2.310E-02 I X 0.8500 1.994E-02 I X 0.9000 1.523E-02 I X 0.9500 9.415E-03 I X 1.0000 2.977E-03 IX 1.1000 -1.007E-02 X I 1.2000 -2.109E-02 X I 1.3000 -2.832E-02 X I 1.4000 -3.107E-02 X I 1.5000 -2.945E-02 X I 1.6000 -2.415E-02 X I 1.7000 -1.613E-02 X I 1.8000 -6.477E-03 X I 1.9000 3.777E-03 IX 2.0000 1.374E-02 I X 2.1000 2.268E-02 I X 2.2000 3.009E-02 I X 2.3000 3.563E-02 I X 2.4000 3.914E-02 I X 2.5000 4.060E-02 I X 2.6000 4.008E-02 I X 2.7000 3.777E-02 I X 2.8000 3.388E-02 I X 2.9000 2.869E-02 I X 3.0000 2.246E-02 I X 3.1000 1.547E-02 I X 3.2000 7.996E-03 I X 3.3000 2.861E-04 X 3.4000 -7.434E-03 X I 3.5000 -1.497E-02 X I 3.6000 -2.213E-02 X I 3.7000 -2.880E-02 X I 3.8000 -3.484E-02 X I 3.9000 -4.018E-02 X I 4.0000 -4.474E-02 X I 4.1000 -4.849E-02 X I 4.2000 -5.140E-02 X I 4.3000 -5.346E-02 X I 4.4000 -5.469E-02 X I 4.5000 -5.511E-02 X I 4.6000 -5.475E-02 X I 4.7000 -5.364E-02 X I 4.8000 -5.185E-02 X I 4.9000 -4.941E-02 X I 5.0000 -4.639E-02 X I 5.2000 -3.884E-02 X I 5.4000 -2.966E-02 X I 5.6000 -1.935E-02 X I 5.8000 -8.339E-03 X I 6.0000 2.951E-03 IX 6.2000 1.415E-02 I X 6.4000 2.495E-02 I X 6.6000 3.507E-02 I X 6.8000 4.429E-02 I X 7.0000 5.244E-02 I X 7.2000 5.938E-02 I X 7.4000 6.502E-02 I X 7.6000 6.931E-02 I X 7.8000 7.222E-02 I X 8.0000 7.376E-02 I X 8.2000 7.394E-02 I X 8.4000 7.283E-02 I X 8.6000 7.048E-02 I X 8.8000 6.699E-02 I X 9.0000 6.243E-02 I X 9.2000 5.692E-02 I X 9.4000 5.056E-02 I X 9.6000 4.347E-02 I X 9.8000 3.578E-02 I X 10.0000 2.759E-02 I X 10.2500 1.686E-02 I X 10.5000 5.786E-03 I X 10.7500 -5.402E-03 X I 11.0000 -1.649E-02 X I 11.2500 -2.727E-02 X I 11.5000 -3.756E-02 X I 11.7500 -4.719E-02 X I 12.0000 -5.600E-02 X I 12.2500 -6.388E-02 X I 12.5000 -7.071E-02 X I 12.7500 -7.641E-02 X I 13.0000 -8.091E-02 X I 13.2500 -8.417E-02 X I 13.5000 -8.617E-02 X I 13.7500 -8.691E-02 X I 14.0000 -8.640E-02 X I 14.2500 -8.467E-02 X I 14.5000 -8.178E-02 X I 14.7500 -7.779E-02 X I 15.0000 -7.276E-02 X I 15.5000 -5.999E-02 X I 16.0000 -4.423E-02 X I 16.5000 -2.636E-02 X I 17.0000 -7.264E-03 X I 17.5000 1.216E-02 I X 18.0000 3.106E-02 I X 18.5000 4.869E-02 I X 19.0000 6.438E-02 I X 19.5000 7.759E-02 I X 20.0000 8.792E-02 I X 20.5000 9.508E-02 I X 21.0000 9.892E-02 I X 21.5000 9.942E-02 I X 22.0000 9.666E-02 I X 22.5000 9.084E-02 I X 23.0000 8.222E-02 I X 23.5000 7.115E-02 I X 24.0000 5.801E-02 I X 24.5000 4.323E-02 I X 25.0000 2.728E-02 I X 25.5000 1.059E-02 I X 26.0000 -6.364E-03 X I 26.5000 -2.316E-02 X I 27.0000 -3.940E-02 X I 27.5000 -5.471E-02 X I 28.0000 -6.875E-02 X I 28.5000 -8.126E-02 X I 29.0000 -9.199E-02 X I 29.5000 -1.008E-01 X I 30.0000 -1.075E-01 X I 31.0000 -1.143E-01 X I 32.0000 -1.125E-01 X I 33.0000 -1.025E-01 X I 34.0000 -8.554E-02 X I 35.0000 -6.296E-02 X I 36.0000 -3.647E-02 X I 37.0000 -7.812E-03 X I 38.0000 2.129E-02 I X 39.0000 4.928E-02 I X 40.0000 7.478E-02 I X 41.0000 9.669E-02 I X 42.0000 1.142E-01 I X 43.0000 1.267E-01 I X 44.0000 1.340E-01 I X 45.0000 1.360E-01 I X 46.0000 1.329E-01 I X 47.0000 1.252E-01 I X 48.0000 1.131E-01 I X 49.0000 9.752E-02 I X 50.0000 7.893E-02 I X 52.0000 3.562E-02 I X 54.0000 -1.142E-02 X I 56.0000 -5.750E-02 X I 58.0000 -9.899E-02 X I 60.0000 -1.335E-01 X I 62.0000 -1.597E-01 X I 64.0000 -1.772E-01 X I 66.0000 -1.866E-01 X I 68.0000 -1.888E-01 X I 70.0000 -1.849E-01 X I 72.0000 -1.764E-01 X I 74.0000 -1.645E-01 X I 76.0000 -1.505E-01 X I 78.0000 -1.353E-01 X I 80.0000 -1.198E-01 X I 82.0000 -1.046E-01 X I 84.0000 -9.021E-02 X I 86.0000 -7.693E-02 X I 88.0000 -6.494E-02 X I 90.0000 -5.429E-02 X I 92.0000 -4.499E-02 X I 94.0000 -3.698E-02 X I 96.0000 -3.016E-02 X I 98.0000 -2.443E-02 X I 100.0000 -1.965E-02 X I 102.0000 -1.571E-02 X I 104.0000 -1.248E-02 X I 106.0000 -9.861E-03 X I 108.0000 -7.750E-03 X I 110.0000 -6.061E-03 X I 112.0000 -4.717E-03 XI 114.0000 -3.654E-03 XI 116.0000 -2.819E-03 XI 118.0000 -2.166E-03 XI 0.0 0.0 0.0 0.0 N d7 4s14p d7 4s 14p 224282.2 197282.2 FIXEDHF 27000.0 23 28.01 CONFIG=d7 4s14p d7 4s L=1 ELIM= 229263.300 N=14 E= 224282.200 E= -0.04539113 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 20900 NSAVE=20900 IRREG=0 IFITER=99 NNODES=12 NUMR 20361 NUMS 20361 NUML 20896 RS 27.013 RL 0.250 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 RMAX -1.00000000 RMIN 1.54500000 RSCALE 1.59135000 RMAX -1.00000000 RMIN 1.59135000 RSCALE 1.63909050 RMAX -1.00000000 RMIN 1.63909050 RSCALE 1.68826322 RMAX -1.00000000 RMIN 1.68826322 RSCALE 1.73891111 RMAX -1.00000000 RMIN 1.73891111 RSCALE 1.79107844 RMAX -1.00000000 RMIN 1.79107844 RSCALE 1.84481080 RMAX -1.00000000 RMIN 1.84481080 RSCALE 1.90015512 RMAX -1.00000000 RMIN 1.90015512 RSCALE 1.95715978 RMAX -1.00000000 RMIN 1.95715978 RSCALE 2.01587457 RMAX -1.00000000 RMIN 2.01587457 RSCALE 2.07635081 RMAX -1.00000000 RMIN 2.07635081 RSCALE 2.13864133 RMAX -1.00000000 RMIN 2.13864133 RSCALE 2.20280057 RMAX -1.00000000 RMIN 2.20280057 RSCALE 2.26888459 RMAX -1.00000000 RMIN 2.26888459 RSCALE 2.33695112 RMAX -1.00000000 RMIN 2.33695112 RSCALE 2.40705966 RMAX -1.00000000 RMIN 2.40705966 RSCALE 2.47927145 RMAX -1.00000000 RMIN 2.47927145 RSCALE 2.55364959 RMAX -1.00000000 RMIN 2.55364959 RSCALE 2.63025908 RMAX -1.00000000 RMIN 2.63025908 RSCALE 2.70916685 RMAX -1.00000000 RMIN 2.70916685 RSCALE 2.79044186 RMAX -1.00000000 RMIN 2.79044186 RSCALE 2.87415511 RMAX -1.00000000 RMIN 2.87415511 RSCALE 2.96037977 RMAX -1.00000000 RMIN 2.96037977 RSCALE 3.04919116 RMAX -1.00000000 RMIN 3.04919116 RSCALE 3.14066689 RMAX -1.00000000 RMIN 3.14066689 RSCALE 3.23488690 RMAX -1.00000000 RMIN 3.23488690 RSCALE 3.33193351 RMAX -1.00000000 RMIN 3.33193351 RSCALE 3.43189151 RMAX -1.00000000 RMIN 3.43189151 RSCALE 3.53484826 RMAX -1.00000000 RMIN 3.53484826 RSCALE 3.64089371 RMAX -1.00000000 RMIN 3.64089371 RSCALE 3.75012052 RMAX -1.00000000 RMIN 3.75012052 RSCALE 3.86262413 RMAX -1.00000000 RMIN 3.86262413 RSCALE 3.97850286 RMAX -1.00000000 RMIN 3.97850286 RSCALE 4.09785794 RMAX -1.00000000 RMIN 4.09785794 RSCALE 4.22079368 RMAX -1.00000000 RMIN 4.22079368 RSCALE 4.34741749 RMAX -1.00000000 RMIN 4.34741749 RSCALE 4.47784002 RMAX -1.00000000 RMIN 4.47784002 RSCALE 4.61217522 RMAX -1.00000000 RMIN 4.61217522 RSCALE 4.75054047 DEL -12.20689585 RSCALE 4.75054047 DEL -6.81577206 RSCALE 4.79710591 DEL -4.50250805 RSCALE 4.84412778 DEL -3.20736977 RSCALE 4.89161057 DEL -2.37320015 RSCALE 4.93955880 DEL -1.78655770 RSCALE 4.98797701 DEL -1.34804909 RSCALE 5.03686983 DEL -1.00510396 RSCALE 5.08624190 DEL -0.72728301 RSCALE 5.13609793 DEL -0.49571769 RSCALE 5.18644265 DEL -0.29806681 RSCALE 5.23728086 DEL -0.12589613 RSCALE 5.28861738 DEL -0.01352334 RSCALE 5.32615612 DEL -0.00065351 RSCALE 5.33067367 DEL -0.00000349 RSCALE 5.33090306 DEL 0.00000000 RSCALE 5.33090429 CNORM= 9.98124E-01 0.0500 7.923E-03 I X 0.1000 1.318E-02 I X 0.1500 8.873E-03 I X 0.2000 -7.362E-04 X 0.2500 -1.019E-02 X I 0.3000 -1.597E-02 X I 0.3500 -1.686E-02 X I 0.4000 -1.333E-02 X I 0.4500 -6.770E-03 X I 0.5000 1.158E-03 X 0.5500 8.913E-03 I X 0.6000 1.531E-02 I X 0.6500 1.960E-02 I X 0.7000 2.144E-02 I X 0.7500 2.085E-02 I X 0.8000 1.810E-02 I X 0.8500 1.363E-02 I X 0.9000 7.955E-03 I X 0.9500 1.638E-03 X 1.0000 -4.808E-03 XI 1.1000 -1.634E-02 X I 1.2000 -2.406E-02 X I 1.3000 -2.678E-02 X I 1.4000 -2.457E-02 X I 1.5000 -1.832E-02 X I 1.6000 -9.357E-03 X I 1.7000 8.662E-04 X 1.8000 1.101E-02 I X 1.9000 1.997E-02 I X 2.0000 2.697E-02 I X 2.1000 3.155E-02 I X 2.2000 3.351E-02 I X 2.3000 3.293E-02 I X 2.4000 3.003E-02 I X 2.5000 2.518E-02 I X 2.6000 1.880E-02 I X 2.7000 1.137E-02 I X 2.8000 3.350E-03 IX 2.9000 -4.841E-03 XI 3.0000 -1.282E-02 X I 3.1000 -2.025E-02 X I 3.2000 -2.689E-02 X I 3.3000 -3.252E-02 X I 3.4000 -3.702E-02 X I 3.5000 -4.030E-02 X I 3.6000 -4.233E-02 X I 3.7000 -4.311E-02 X I 3.8000 -4.270E-02 X I 3.9000 -4.116E-02 X I 4.0000 -3.861E-02 X I 4.1000 -3.514E-02 X I 4.2000 -3.088E-02 X I 4.3000 -2.596E-02 X I 4.4000 -2.052E-02 X I 4.5000 -1.469E-02 X I 4.6000 -8.577E-03 X I 4.7000 -2.317E-03 XI 4.8000 3.983E-03 IX 4.9000 1.022E-02 I X 5.0000 1.630E-02 I X 5.2000 2.767E-02 I X 5.4000 3.757E-02 I X 5.6000 4.561E-02 I X 5.8000 5.156E-02 I X 6.0000 5.533E-02 I X 6.2000 5.691E-02 I X 6.4000 5.639E-02 I X 6.6000 5.393E-02 I X 6.8000 4.973E-02 I X 7.0000 4.402E-02 I X 7.2000 3.705E-02 I X 7.4000 2.908E-02 I X 7.6000 2.037E-02 I X 7.8000 1.116E-02 I X 8.0000 1.702E-03 IX 8.2000 -7.800E-03 X I 8.4000 -1.714E-02 X I 8.6000 -2.614E-02 X I 8.8000 -3.465E-02 X I 9.0000 -4.252E-02 X I 9.2000 -4.966E-02 X I 9.4000 -5.596E-02 X I 9.6000 -6.135E-02 X I 9.8000 -6.579E-02 X I 10.0000 -6.924E-02 X I 10.2500 -7.212E-02 X I 10.5000 -7.343E-02 X I 10.7500 -7.319E-02 X I 11.0000 -7.147E-02 X I 11.2500 -6.834E-02 X I 11.5000 -6.391E-02 X I 11.7500 -5.830E-02 X I 12.0000 -5.164E-02 X I 12.2500 -4.409E-02 X I 12.5000 -3.580E-02 X I 12.7500 -2.691E-02 X I 13.0000 -1.759E-02 X I 13.2500 -7.989E-03 X I 13.5000 1.732E-03 IX 13.7500 1.143E-02 I X 14.0000 2.096E-02 I X 14.2500 3.018E-02 I X 14.5000 3.899E-02 I X 14.7500 4.725E-02 I X 15.0000 5.488E-02 I X 15.5000 6.788E-02 I X 16.0000 7.742E-02 I X 16.5000 8.318E-02 I X 17.0000 8.501E-02 I X 17.5000 8.296E-02 I X 18.0000 7.726E-02 I X 18.5000 6.827E-02 I X 19.0000 5.647E-02 I X 19.5000 4.243E-02 I X 20.0000 2.675E-02 I X 20.5000 1.007E-02 I X 21.0000 -6.983E-03 X I 21.5000 -2.379E-02 X I 22.0000 -3.979E-02 X I 22.5000 -5.448E-02 X I 23.0000 -6.743E-02 X I 23.5000 -7.828E-02 X I 24.0000 -8.677E-02 X I 24.5000 -9.271E-02 X I 25.0000 -9.600E-02 X I 25.5000 -9.663E-02 X I 26.0000 -9.464E-02 X I 26.5000 -9.016E-02 X I 27.0000 -8.337E-02 X I 27.5000 -7.449E-02 X I 28.0000 -6.381E-02 X I 28.5000 -5.161E-02 X I 29.0000 -3.822E-02 X I 29.5000 -2.397E-02 X I 30.0000 -9.196E-03 X I 31.0000 2.064E-02 I X 32.0000 4.882E-02 I X 33.0000 7.324E-02 I X 34.0000 9.230E-02 I X 35.0000 1.049E-01 I X 36.0000 1.105E-01 I X 37.0000 1.090E-01 I X 38.0000 1.009E-01 I X 39.0000 8.688E-02 I X 40.0000 6.804E-02 I X 41.0000 4.558E-02 I X 42.0000 2.080E-02 I X 43.0000 -5.000E-03 X I 44.0000 -3.058E-02 X I 45.0000 -5.481E-02 X I 46.0000 -7.673E-02 X I 47.0000 -9.554E-02 X I 48.0000 -1.107E-01 X I 49.0000 -1.217E-01 X I 50.0000 -1.284E-01 X I 52.0000 -1.291E-01 X I 54.0000 -1.139E-01 X I 56.0000 -8.609E-02 X I 58.0000 -4.953E-02 X I 60.0000 -8.383E-03 X I 62.0000 3.351E-02 I X 64.0000 7.298E-02 I X 66.0000 1.077E-01 I X 68.0000 1.361E-01 I X 70.0000 1.574E-01 I X 72.0000 1.717E-01 I X 74.0000 1.793E-01 I X 76.0000 1.810E-01 I X 78.0000 1.776E-01 I X 80.0000 1.703E-01 I X 82.0000 1.601E-01 I X 84.0000 1.479E-01 I X 86.0000 1.345E-01 I X 88.0000 1.207E-01 I X 90.0000 1.069E-01 I X 92.0000 9.368E-02 I X 94.0000 8.122E-02 I X 96.0000 6.975E-02 I X 98.0000 5.937E-02 I X 100.0000 5.013E-02 I X 102.0000 4.200E-02 I X 104.0000 3.494E-02 I X 106.0000 2.887E-02 I X 108.0000 2.371E-02 I X 110.0000 1.935E-02 I X 112.0000 1.571E-02 I X 114.0000 1.268E-02 I X 116.0000 1.019E-02 I X 118.0000 8.146E-03 I X 120.0000 6.483E-03 I X 122.0000 5.138E-03 I X 124.0000 4.055E-03 IX 126.0000 3.187E-03 IX 128.0000 2.496E-03 IX 130.0000 1.948E-03 IX 0.0 0.0 0.0 0.0 O d6s2 4p d6s2 4p 224722.0 187722.0 FIXEDHF 37000.0 24 28.01 CONFIG=d6s2 4p d6s2 L=1 ELIM= 344113.400 N= 4 E= 224722.000 E= -1.08797455 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 3700 NSAVE= 3700 IRREG=0 IFITER=99 NNODES= 2 NUMR 3161 NUMS 3161 NUML 3696 RS 27.013 RL 0.250 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 DEL -347.89516774 RSCALE 1.33273057 RMAX 1.34579418 RMIN -1.00000000 RSCALE 1.33926237 RMAX 1.33926237 RMIN -1.00000000 RSCALE 1.33599647 RMAX 1.33599647 RMIN -1.00000000 RSCALE 1.33436352 RMAX 1.33436352 RMIN -1.00000000 RSCALE 1.33354705 DEL -1686.18604980 RSCALE 1.33354705 DEL -287.31814847 RSCALE 1.33251833 DEL -244.54529271 RSCALE 1.33230703 DEL -130.24924304 RSCALE 1.33109901 DEL -83.30646813 RSCALE 1.32972237 DEL -49.08618234 RSCALE 1.32727934 DEL -29.24784154 RSCALE 1.32377501 DEL -16.76380343 RSCALE 1.31860854 DEL -9.22157802 RSCALE 1.31167092 DEL -4.68995531 RSCALE 1.30318856 DEL -2.08980252 RSCALE 1.29440983 DEL -0.73193955 RSCALE 1.28735416 DEL -0.16434767 RSCALE 1.28355089 DEL -0.01645293 RSCALE 1.28244965 DEL -0.00041172 RSCALE 1.28232714 DEL -0.00000106 RSCALE 1.28232399 DEL 0.00000000 RSCALE 1.28232398 CNORM= 9.23037E-01 0.0500 9.829E-02 I X 0.1000 1.889E-01 I X 0.1500 1.865E-01 I X 0.2000 1.134E-01 I X 0.2500 7.781E-03 IX 0.3000 -1.005E-01 X I 0.3500 -1.933E-01 X I 0.4000 -2.616E-01 X I 0.4500 -3.030E-01 X I 0.5000 -3.188E-01 X I 0.5500 -3.120E-01 X I 0.6000 -2.867E-01 X I 0.6500 -2.470E-01 X I 0.7000 -1.967E-01 X I 0.7500 -1.390E-01 X I 0.8000 -7.686E-02 X I 0.8500 -1.255E-02 XI 0.9000 5.210E-02 I X 0.9500 1.157E-01 I X 1.0000 1.771E-01 I X 1.1000 2.907E-01 I X 1.2000 3.892E-01 I X 1.3000 4.716E-01 I X 1.4000 5.382E-01 I X 1.5000 5.902E-01 I X 1.6000 6.291E-01 I X 1.7000 6.566E-01 I X 1.8000 6.744E-01 I X 1.9000 6.838E-01 I X 2.0000 6.863E-01 I X 2.1000 6.832E-01 I X 2.2000 6.754E-01 I X 2.3000 6.638E-01 I X 2.4000 6.493E-01 I X 2.5000 6.324E-01 I X 2.6000 6.137E-01 I X 2.7000 5.936E-01 I X 2.8000 5.726E-01 I X 2.9000 5.509E-01 I X 3.0000 5.288E-01 I X 3.1000 5.066E-01 I X 3.2000 4.843E-01 I X 3.3000 4.622E-01 I X 3.4000 4.404E-01 I X 3.5000 4.189E-01 I X 3.6000 3.979E-01 I X 3.7000 3.774E-01 I X 3.8000 3.575E-01 I X 3.9000 3.382E-01 I X 4.0000 3.196E-01 I X 4.1000 3.016E-01 I X 4.2000 2.844E-01 I X 4.3000 2.678E-01 I X 4.4000 2.520E-01 I X 4.5000 2.369E-01 I X 4.6000 2.224E-01 I X 4.7000 2.087E-01 I X 4.8000 1.957E-01 I X 4.9000 1.833E-01 I X 5.0000 1.715E-01 I X 5.2000 1.500E-01 I X 5.4000 1.307E-01 I X 5.6000 1.137E-01 I X 5.8000 9.862E-02 I X 6.0000 8.536E-02 I X 6.2000 7.373E-02 I X 6.4000 6.356E-02 I X 6.6000 5.470E-02 I X 6.8000 4.699E-02 I X 7.0000 4.030E-02 I X 7.2000 3.451E-02 I X 7.4000 2.951E-02 I X 7.6000 2.519E-02 I X 7.8000 2.149E-02 I X 8.0000 1.830E-02 IX 8.2000 1.557E-02 IX 8.4000 1.323E-02 IX 8.6000 1.123E-02 IX 8.8000 9.523E-03 IX 9.0000 8.068E-03 IX 0.0 0.0 0.0 0.0 P d6s2 5p d6s2 5p 298653.5 261653.5 FIXEDHF 37000.0 25 28.01 CONFIG=d6s2 5p d6s2 L=1 ELIM= 344113.400 N= 5 E= 298653.500 E= -0.41426111 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 6100 NSAVE= 6100 IRREG=0 IFITER=99 NNODES= 3 NUMR 5561 NUMS 5561 NUML 6096 RS 27.013 RL 0.250 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 RMAX 1.33273057 RMIN -1.00000000 RSCALE 1.29391318 DEL -19.32913505 RSCALE 1.29391318 DEL -38.60162311 RSCALE 1.30659629 DEL -19.32912633 RSCALE 1.29391318 DEL -11.51192813 RSCALE 1.28135318 DEL -7.32008101 RSCALE 1.26891511 DEL -4.73137153 RSCALE 1.25659777 DEL -2.98933851 RSCALE 1.24439999 DEL -1.74720825 RSCALE 1.23232062 DEL -0.82378693 RSCALE 1.22035850 DEL -0.17822937 RSCALE 1.20968706 DEL -0.02301390 RSCALE 1.20674082 DEL -0.00074383 RSCALE 1.20630398 DEL -0.00000322 RSCALE 1.20628939 DEL 0.00000000 RSCALE 1.20628933 CNORM= 9.89427E-01 0.0500 4.074E-02 I X 0.1000 7.897E-02 I X 0.1500 7.945E-02 I X 0.2000 5.071E-02 I X 0.2500 7.951E-03 IX 0.3000 -3.682E-02 X I 0.3500 -7.614E-02 X I 0.4000 -1.062E-01 X I 0.4500 -1.258E-01 X I 0.5000 -1.352E-01 X I 0.5500 -1.354E-01 X I 0.6000 -1.279E-01 X I 0.6500 -1.142E-01 X I 0.7000 -9.577E-02 X I 0.7500 -7.388E-02 X I 0.8000 -4.967E-02 X I 0.8500 -2.411E-02 X I 0.9000 2.045E-03 X 0.9500 2.817E-02 I X 1.0000 5.377E-02 I X 1.1000 1.020E-01 I X 1.2000 1.449E-01 I X 1.3000 1.813E-01 I X 1.4000 2.112E-01 I X 1.5000 2.345E-01 I X 1.6000 2.516E-01 I X 1.7000 2.630E-01 I X 1.8000 2.692E-01 I X 1.9000 2.707E-01 I X 2.0000 2.680E-01 I X 2.1000 2.615E-01 I X 2.2000 2.517E-01 I X 2.3000 2.390E-01 I X 2.4000 2.238E-01 I X 2.5000 2.063E-01 I X 2.6000 1.869E-01 I X 2.7000 1.659E-01 I X 2.8000 1.436E-01 I X 2.9000 1.202E-01 I X 3.0000 9.584E-02 I X 3.1000 7.084E-02 I X 3.2000 4.537E-02 I X 3.3000 1.961E-02 I X 3.4000 -6.279E-03 XI 3.5000 -3.213E-02 X I 3.6000 -5.780E-02 X I 3.7000 -8.315E-02 X I 3.8000 -1.081E-01 X I 3.9000 -1.325E-01 X I 4.0000 -1.562E-01 X I 4.1000 -1.792E-01 X I 4.2000 -2.015E-01 X I 4.3000 -2.229E-01 X I 4.4000 -2.434E-01 X I 4.5000 -2.629E-01 X I 4.6000 -2.814E-01 X I 4.7000 -2.989E-01 X I 4.8000 -3.154E-01 X I 4.9000 -3.309E-01 X I 5.0000 -3.453E-01 X I 5.2000 -3.709E-01 X I 5.4000 -3.923E-01 X I 5.6000 -4.097E-01 X I 5.8000 -4.233E-01 X I 6.0000 -4.331E-01 X I 6.2000 -4.396E-01 X I 6.4000 -4.430E-01 X I 6.6000 -4.434E-01 X I 6.8000 -4.413E-01 X I 7.0000 -4.369E-01 X I 7.2000 -4.304E-01 X I 7.4000 -4.222E-01 X I 7.6000 -4.124E-01 X I 7.8000 -4.014E-01 X I 8.0000 -3.893E-01 X I 8.2000 -3.764E-01 X I 8.4000 -3.628E-01 X I 8.6000 -3.487E-01 X I 8.8000 -3.342E-01 X I 9.0000 -3.196E-01 X I 9.2000 -3.049E-01 X I 9.4000 -2.903E-01 X I 9.6000 -2.758E-01 X I 9.8000 -2.615E-01 X I 10.0000 -2.474E-01 X I 10.2500 -2.304E-01 X I 10.5000 -2.140E-01 X I 10.7500 -1.982E-01 X I 11.0000 -1.832E-01 X I 11.2500 -1.690E-01 X I 11.5000 -1.555E-01 X I 11.7500 -1.428E-01 X I 12.0000 -1.310E-01 X I 12.2500 -1.199E-01 X I 12.5000 -1.095E-01 X I 12.7500 -9.990E-02 X I 13.0000 -9.099E-02 X I 13.2500 -8.275E-02 X I 13.5000 -7.516E-02 X I 13.7500 -6.817E-02 X I 14.0000 -6.175E-02 X I 14.2500 -5.587E-02 X I 14.5000 -5.048E-02 X I 14.7500 -4.557E-02 X I 15.0000 -4.108E-02 X I 15.5000 -3.329E-02 X I 16.0000 -2.688E-02 X I 16.5000 -2.162E-02 X I 17.0000 -1.733E-02 X I 17.5000 -1.384E-02 X I 18.0000 -1.103E-02 XI 18.5000 -8.760E-03 XI 19.0000 -6.940E-03 XI 19.5000 -5.485E-03 XI 0.0 0.0 0.0 0.0 Q d6s2 6p d6s2 6p 319472.4 282472.4 FIXEDHF 37000.0 26 28.01 CONFIG=d6s2 6p d6s2 L=1 ELIM= 344113.400 N= 6 E= 319472.400 E= -0.22454533 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 8500 NSAVE= 8500 IRREG=0 IFITER=99 NNODES= 4 NUMR 7961 NUMS 7961 NUML 8496 RS 27.013 RL 0.250 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 RMAX 1.33273057 RMIN -1.00000000 RSCALE 1.29391318 DEL -46.07627880 RSCALE 1.29391318 DEL -93.79360806 RSCALE 1.30659629 DEL -46.07626875 RSCALE 1.29391318 DEL -28.79435463 RSCALE 1.28166626 DEL -19.62602043 RSCALE 1.26922514 DEL -14.11848505 RSCALE 1.25690479 DEL -10.47967783 RSCALE 1.24470404 DEL -7.91917372 RSCALE 1.23262171 DEL -6.03473944 RSCALE 1.22065667 DEL -4.60043439 RSCALE 1.20880778 DEL -3.47979177 RSCALE 1.19707390 DEL -2.58566863 RSCALE 1.18545392 DEL -1.85991087 RSCALE 1.17394674 DEL -1.26229592 RSCALE 1.16255125 DEL -0.76416673 RSCALE 1.15126639 DEL -0.34459027 RSCALE 1.14009106 DEL -0.04514565 RSCALE 1.13091298 DEL -0.00310167 RSCALE 1.12952925 DEL -0.00003025 RSCALE 1.12942717 DEL -0.00000002 RSCALE 1.12942616 DEL 0.00000000 RSCALE 1.12942616 CNORM= 9.97197E-01 0.0500 2.449E-02 I X 0.1000 4.798E-02 I X 0.1500 4.933E-02 I X 0.2000 3.325E-02 I X 0.2500 8.382E-03 IX 0.3000 -1.832E-02 X I 0.3500 -4.248E-02 X I 0.4000 -6.178E-02 X I 0.4500 -7.535E-02 X I 0.5000 -8.316E-02 X I 0.5500 -8.569E-02 X I 0.6000 -8.366E-02 X I 0.6500 -7.785E-02 X I 0.7000 -6.903E-02 X I 0.7500 -5.790E-02 X I 0.8000 -4.509E-02 X I 0.8500 -3.114E-02 X I 0.9000 -1.648E-02 X I 0.9500 -1.499E-03 X 1.0000 1.352E-02 I X 1.1000 4.274E-02 I X 1.2000 6.984E-02 I X 1.3000 9.404E-02 I X 1.4000 1.150E-01 I X 1.5000 1.325E-01 I X 1.6000 1.465E-01 I X 1.7000 1.573E-01 I X 1.8000 1.649E-01 I X 1.9000 1.696E-01 I X 2.0000 1.714E-01 I X 2.1000 1.708E-01 I X 2.2000 1.677E-01 I X 2.3000 1.625E-01 I X 2.4000 1.554E-01 I X 2.5000 1.464E-01 I X 2.6000 1.359E-01 I X 2.7000 1.240E-01 I X 2.8000 1.109E-01 I X 2.9000 9.666E-02 I X 3.0000 8.157E-02 I X 3.1000 6.575E-02 I X 3.2000 4.938E-02 I X 3.3000 3.259E-02 I X 3.4000 1.554E-02 I X 3.5000 -1.631E-03 X 3.6000 -1.879E-02 X I 3.7000 -3.581E-02 X I 3.8000 -5.258E-02 X I 3.9000 -6.899E-02 X I 4.0000 -8.494E-02 X I 4.1000 -1.003E-01 X I 4.2000 -1.151E-01 X I 4.3000 -1.291E-01 X I 4.4000 -1.424E-01 X I 4.5000 -1.549E-01 X I 4.6000 -1.665E-01 X I 4.7000 -1.771E-01 X I 4.8000 -1.869E-01 X I 4.9000 -1.956E-01 X I 5.0000 -2.033E-01 X I 5.2000 -2.158E-01 X I 5.4000 -2.242E-01 X I 5.6000 -2.286E-01 X I 5.8000 -2.291E-01 X I 6.0000 -2.259E-01 X I 6.2000 -2.192E-01 X I 6.4000 -2.093E-01 X I 6.6000 -1.965E-01 X I 6.8000 -1.809E-01 X I 7.0000 -1.631E-01 X I 7.2000 -1.433E-01 X I 7.4000 -1.218E-01 X I 7.6000 -9.896E-02 X I 7.8000 -7.504E-02 X I 8.0000 -5.036E-02 X I 8.2000 -2.518E-02 X I 8.4000 2.321E-04 X 8.6000 2.565E-02 I X 8.8000 5.084E-02 I X 9.0000 7.563E-02 I X 9.2000 9.982E-02 I X 9.4000 1.233E-01 I X 9.6000 1.458E-01 I X 9.8000 1.674E-01 I X 10.0000 1.879E-01 I X 10.2500 2.119E-01 I X 10.5000 2.339E-01 I X 10.7500 2.539E-01 I X 11.0000 2.719E-01 I X 11.2500 2.877E-01 I X 11.5000 3.015E-01 I X 11.7500 3.133E-01 I X 12.0000 3.230E-01 I X 12.2500 3.309E-01 I X 12.5000 3.369E-01 I X 12.7500 3.412E-01 I X 13.0000 3.439E-01 I X 13.2500 3.450E-01 I X 13.5000 3.447E-01 I X 13.7500 3.431E-01 I X 14.0000 3.402E-01 I X 14.2500 3.363E-01 I X 14.5000 3.315E-01 I X 14.7500 3.257E-01 I X 15.0000 3.192E-01 I X 15.5000 3.043E-01 I X 16.0000 2.875E-01 I X 16.5000 2.694E-01 I X 17.0000 2.506E-01 I X 17.5000 2.316E-01 I X 18.0000 2.126E-01 I X 18.5000 1.942E-01 I X 19.0000 1.764E-01 I X 19.5000 1.594E-01 I X 20.0000 1.435E-01 I X 20.5000 1.286E-01 I X 21.0000 1.148E-01 I X 21.5000 1.021E-01 I X 22.0000 9.048E-02 I X 22.5000 7.994E-02 I X 23.0000 7.041E-02 I X 23.5000 6.183E-02 I X 24.0000 5.415E-02 I X 24.5000 4.731E-02 I X 25.0000 4.122E-02 I X 25.5000 3.584E-02 I X 26.0000 3.108E-02 I X 26.5000 2.690E-02 I X 27.0000 2.324E-02 I X 27.5000 2.004E-02 I X 28.0000 1.724E-02 I X 28.5000 1.481E-02 I X 29.0000 1.270E-02 I X 29.5000 1.087E-02 I X 30.0000 9.292E-03 IX 31.0000 6.758E-03 IX 32.0000 4.888E-03 IX 33.0000 3.517E-03 IX 0.0 0.0 0.0 0.0 R d6s2 7p d6s2 7p 328831.3 291831.3 FIXEDHF 37000.0 27 28.01 CONFIG=d6s2 7p d6s2 L=1 ELIM= 344113.400 N= 7 E= 328831.300 E= -0.13926075 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 11100 NSAVE=11100 IRREG=0 IFITER=99 NNODES= 5 NUMR 10561 NUMS 10561 NUML 11096 RS 27.013 RL 0.250 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 RMAX 1.33273057 RMIN -1.00000000 RSCALE 1.29391318 DEL -131.87128065 RSCALE 1.29391318 DEL -283.04125946 RSCALE 1.30659629 DEL -131.87125659 RSCALE 1.29391318 DEL -84.22591362 RSCALE 1.28284922 DEL -56.66771561 RSCALE 1.27039663 DEL -40.84919830 RSCALE 1.25806491 DEL -30.76891028 RSCALE 1.24585289 DEL -23.88836073 RSCALE 1.23375941 DEL -18.95637205 RSCALE 1.22178333 DEL -15.28867654 RSCALE 1.20992350 DEL -12.48162257 RSCALE 1.19817879 DEL -10.28293819 RSCALE 1.18654808 DEL -8.52759993 RSCALE 1.17503028 DEL -7.10358632 RSCALE 1.16362428 DEL -5.93248494 RSCALE 1.15232900 DEL -4.95796933 RSCALE 1.14114336 DEL -4.13867157 RSCALE 1.13006629 DEL -3.44362087 RSCALE 1.11909676 DEL -2.84923733 RSCALE 1.10823370 DEL -2.33729979 RSCALE 1.09747610 DEL -1.89354062 RSCALE 1.08682291 DEL -1.50665466 RSCALE 1.07627314 DEL -1.16758786 RSCALE 1.06582577 DEL -0.86901842 RSCALE 1.05547982 DEL -0.60497277 RSCALE 1.04523429 DEL -0.37053779 RSCALE 1.03508822 DEL -0.16164241 RSCALE 1.02504063 DEL -0.01412957 RSCALE 1.01726585 DEL -0.00059920 RSCALE 1.01652114 DEL -0.00000234 RSCALE 1.01648816 DEL 0.00000000 RSCALE 1.01648803 CNORM= 9.98988E-01 0.0500 1.600E-02 I X 0.1000 3.191E-02 I X 0.1500 3.401E-02 I X 0.2000 2.490E-02 I X 0.2500 9.734E-03 I X 0.3000 -7.290E-03 XI 0.3500 -2.343E-02 X I 0.4000 -3.716E-02 X I 0.4500 -4.780E-02 X I 0.5000 -5.518E-02 X I 0.5500 -5.947E-02 X I 0.6000 -6.096E-02 X I 0.6500 -6.003E-02 X I 0.7000 -5.707E-02 X I 0.7500 -5.246E-02 X I 0.8000 -4.652E-02 X I 0.8500 -3.955E-02 X I 0.9000 -3.183E-02 X I 0.9500 -2.355E-02 X I 1.0000 -1.492E-02 X I 1.1000 2.831E-03 IX 1.2000 2.048E-02 I X 1.3000 3.740E-02 I X 1.4000 5.317E-02 I X 1.5000 6.753E-02 I X 1.6000 8.031E-02 I X 1.7000 9.143E-02 I X 1.8000 1.008E-01 I X 1.9000 1.085E-01 I X 2.0000 1.145E-01 I X 2.1000 1.188E-01 I X 2.2000 1.215E-01 I X 2.3000 1.225E-01 I X 2.4000 1.221E-01 I X 2.5000 1.202E-01 I X 2.6000 1.169E-01 I X 2.7000 1.124E-01 I X 2.8000 1.066E-01 I X 2.9000 9.973E-02 I X 3.0000 9.186E-02 I X 3.1000 8.310E-02 I X 3.2000 7.355E-02 I X 3.3000 6.334E-02 I X 3.4000 5.256E-02 I X 3.5000 4.133E-02 I X 3.6000 2.974E-02 I X 3.7000 1.792E-02 I X 3.8000 5.950E-03 IX 3.9000 -6.065E-03 XI 4.0000 -1.803E-02 X I 4.1000 -2.987E-02 X I 4.2000 -4.149E-02 X I 4.3000 -5.283E-02 X I 4.4000 -6.380E-02 X I 4.5000 -7.435E-02 X I 4.6000 -8.441E-02 X I 4.7000 -9.394E-02 X I 4.8000 -1.029E-01 X I 4.9000 -1.112E-01 X I 5.0000 -1.189E-01 X I 5.2000 -1.321E-01 X I 5.4000 -1.424E-01 X I 5.6000 -1.497E-01 X I 5.8000 -1.539E-01 X I 6.0000 -1.551E-01 X I 6.2000 -1.533E-01 X I 6.4000 -1.488E-01 X I 6.6000 -1.417E-01 X I 6.8000 -1.322E-01 X I 7.0000 -1.206E-01 X I 7.2000 -1.071E-01 X I 7.4000 -9.194E-02 X I 7.6000 -7.546E-02 X I 7.8000 -5.792E-02 X I 8.0000 -3.958E-02 X I 8.2000 -2.073E-02 X I 8.4000 -1.603E-03 X 8.6000 1.754E-02 I X 8.8000 3.648E-02 I X 9.0000 5.499E-02 I X 9.2000 7.289E-02 I X 9.4000 9.000E-02 I X 9.6000 1.062E-01 I X 9.8000 1.212E-01 I X 10.0000 1.351E-01 I X 10.2500 1.506E-01 I X 10.5000 1.639E-01 I X 10.7500 1.750E-01 I X 11.0000 1.837E-01 I X 11.2500 1.900E-01 I X 11.5000 1.939E-01 I X 11.7500 1.955E-01 I X 12.0000 1.948E-01 I X 12.2500 1.919E-01 I X 12.5000 1.869E-01 I X 12.7500 1.800E-01 I X 13.0000 1.712E-01 I X 13.2500 1.608E-01 I X 13.5000 1.488E-01 I X 13.7500 1.355E-01 I X 14.0000 1.210E-01 I X 14.2500 1.055E-01 I X 14.5000 8.909E-02 I X 14.7500 7.198E-02 I X 15.0000 5.432E-02 I X 15.5000 1.792E-02 I X 16.0000 -1.898E-02 X I 16.5000 -5.540E-02 X I 17.0000 -9.051E-02 X I 17.5000 -1.236E-01 X I 18.0000 -1.542E-01 X I 18.5000 -1.818E-01 X I 19.0000 -2.062E-01 X I 19.5000 -2.272E-01 X I 20.0000 -2.448E-01 X I 20.5000 -2.589E-01 X I 21.0000 -2.698E-01 X I 21.5000 -2.775E-01 X I 22.0000 -2.823E-01 X I 22.5000 -2.844E-01 X I 23.0000 -2.840E-01 X I 23.5000 -2.814E-01 X I 24.0000 -2.769E-01 X I 24.5000 -2.707E-01 X I 25.0000 -2.632E-01 X I 25.5000 -2.544E-01 X I 26.0000 -2.448E-01 X I 26.5000 -2.344E-01 X I 27.0000 -2.236E-01 X I 27.5000 -2.124E-01 X I 28.0000 -2.009E-01 X I 28.5000 -1.895E-01 X I 29.0000 -1.781E-01 X I 29.5000 -1.668E-01 X I 30.0000 -1.559E-01 X I 31.0000 -1.349E-01 X I 32.0000 -1.156E-01 X I 33.0000 -9.810E-02 X I 34.0000 -8.258E-02 X I 35.0000 -6.898E-02 X I 36.0000 -5.721E-02 X I 37.0000 -4.714E-02 X I 38.0000 -3.861E-02 X I 39.0000 -3.144E-02 X I 40.0000 -2.546E-02 X I 41.0000 -2.052E-02 X I 42.0000 -1.647E-02 X I 43.0000 -1.315E-02 X I 44.0000 -1.046E-02 X I 45.0000 -8.289E-03 X I 46.0000 -6.544E-03 XI 47.0000 -5.148E-03 XI 48.0000 -4.037E-03 XI 49.0000 -3.155E-03 XI 0.0 0.0 0.0 0.0 S d6s2 8p d6s2 8p 333913.5 296913.5 FIXEDHF 37000.0 28 28.01 CONFIG=d6s2 8p d6s2 L=1 ELIM= 344113.400 N= 8 E= 333913.500 E= -0.09294833 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 13900 NSAVE=13900 IRREG=0 IFITER=99 NNODES= 6 NUMR 13361 NUMS 13361 NUML 13896 RS 27.013 RL 0.250 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 RMAX 1.33273057 RMIN -1.00000000 RSCALE 1.29391318 RMAX 1.29391318 RMIN -1.00000000 RSCALE 1.25622639 RMAX 1.25622639 RMIN -1.00000000 RSCALE 1.21963727 RMAX 1.21963727 RMIN -1.00000000 RSCALE 1.18411385 DEL -214.39116275 RSCALE 1.18411385 DEL -636.17722692 RSCALE 1.19572069 DEL -214.39114832 RSCALE 1.18411385 DEL -154.34573343 RSCALE 1.17821417 DEL -95.28262984 RSCALE 1.16677726 DEL -65.92538810 RSCALE 1.15545137 DEL -48.67434178 RSCALE 1.14423542 DEL -37.48671314 RSCALE 1.13312835 DEL -29.73987499 RSCALE 1.12212909 DEL -24.11754148 RSCALE 1.11123660 DEL -19.88969887 RSCALE 1.10044984 DEL -16.62074181 RSCALE 1.08976779 DEL -14.03574481 RSCALE 1.07918943 DEL -11.95330358 RSCALE 1.06871376 DEL -10.24931383 RSCALE 1.05833977 DEL -8.83628319 RSCALE 1.04806648 DEL -7.65094536 RSCALE 1.03789291 DEL -6.64654674 RSCALE 1.02781810 DEL -5.78787911 RSCALE 1.01784109 DEL -5.04798710 RSCALE 1.00796092 DEL -4.40593040 RSCALE 0.99817666 DEL -3.84522859 RSCALE 0.98848737 DEL -3.35275917 RSCALE 0.97889214 DEL -2.91796283 RSCALE 0.96939005 DEL -2.53226136 RSCALE 0.95998020 DEL -2.18862503 RSCALE 0.95066168 DEL -1.88124705 RSCALE 0.94143362 DEL -1.60529558 RSCALE 0.93229514 DEL -1.35672279 RSCALE 0.92324537 DEL -1.13211641 RSCALE 0.91428344 DEL -0.92858322 RSCALE 0.90540850 DEL -0.74365684 RSCALE 0.89661972 DEL -0.57522415 RSCALE 0.88791624 DEL -0.42146615 RSCALE 0.87929725 DEL -0.28081017 RSCALE 0.87076193 DEL -0.15189084 RSCALE 0.86230945 DEL -0.03351817 RSCALE 0.85393903 DEL -0.00157143 RSCALE 0.85156888 DEL -0.00001724 RSCALE 0.85145229 DEL -0.00000001 RSCALE 0.85145100 CNORM= 9.99618E-01 0.0500 1.211E-02 I X 0.1000 2.495E-02 I X 0.1500 2.828E-02 I X 0.2000 2.347E-02 I X 0.2500 1.379E-02 I X 0.3000 1.958E-03 X 0.3500 -1.015E-02 X I 0.4000 -2.143E-02 X I 0.4500 -3.126E-02 X I 0.5000 -3.939E-02 X I 0.5500 -4.577E-02 X I 0.6000 -5.046E-02 X I 0.6500 -5.358E-02 X I 0.7000 -5.531E-02 X I 0.7500 -5.579E-02 X I 0.8000 -5.520E-02 X I 0.8500 -5.368E-02 X I 0.9000 -5.136E-02 X I 0.9500 -4.838E-02 X I 1.0000 -4.483E-02 X I 1.1000 -3.641E-02 X I 1.2000 -2.673E-02 X I 1.3000 -1.627E-02 X I 1.4000 -5.392E-03 XI 1.5000 5.609E-03 IX 1.6000 1.650E-02 I X 1.7000 2.710E-02 I X 1.8000 3.724E-02 I X 1.9000 4.680E-02 I X 2.0000 5.567E-02 I X 2.1000 6.374E-02 I X 2.2000 7.094E-02 I X 2.3000 7.722E-02 I X 2.4000 8.252E-02 I X 2.5000 8.680E-02 I X 2.6000 9.006E-02 I X 2.7000 9.228E-02 I X 2.8000 9.348E-02 I X 2.9000 9.367E-02 I X 3.0000 9.287E-02 I X 3.1000 9.113E-02 I X 3.2000 8.849E-02 I X 3.3000 8.500E-02 I X 3.4000 8.071E-02 I X 3.5000 7.569E-02 I X 3.6000 7.000E-02 I X 3.7000 6.370E-02 I X 3.8000 5.687E-02 I X 3.9000 4.957E-02 I X 4.0000 4.187E-02 I X 4.1000 3.385E-02 I X 4.2000 2.557E-02 I X 4.3000 1.709E-02 I X 4.4000 8.494E-03 I X 4.5000 -1.650E-04 X 4.6000 -8.824E-03 X I 4.7000 -1.742E-02 X I 4.8000 -2.590E-02 X I 4.9000 -3.422E-02 X I 5.0000 -4.231E-02 X I 5.2000 -5.766E-02 X I 5.4000 -7.163E-02 X I 5.6000 -8.394E-02 X I 5.8000 -9.439E-02 X I 6.0000 -1.028E-01 X I 6.2000 -1.091E-01 X I 6.4000 -1.132E-01 X I 6.6000 -1.151E-01 X I 6.8000 -1.149E-01 X I 7.0000 -1.126E-01 X I 7.2000 -1.084E-01 X I 7.4000 -1.023E-01 X I 7.6000 -9.449E-02 X I 7.8000 -8.521E-02 X I 8.0000 -7.460E-02 X I 8.2000 -6.288E-02 X I 8.4000 -5.024E-02 X I 8.6000 -3.688E-02 X I 8.8000 -2.301E-02 X I 9.0000 -8.838E-03 X I 9.2000 5.454E-03 IX 9.4000 1.968E-02 I X 9.6000 3.366E-02 I X 9.8000 4.723E-02 I X 10.0000 6.025E-02 I X 10.2500 7.554E-02 I X 10.5000 8.952E-02 I X 10.7500 1.020E-01 I X 11.0000 1.128E-01 I X 11.2500 1.218E-01 I X 11.5000 1.290E-01 I X 11.7500 1.342E-01 I X 12.0000 1.374E-01 I X 12.2500 1.387E-01 I X 12.5000 1.381E-01 I X 12.7500 1.357E-01 I X 13.0000 1.315E-01 I X 13.2500 1.256E-01 I X 13.5000 1.182E-01 I X 13.7500 1.094E-01 I X 14.0000 9.924E-02 I X 14.2500 8.799E-02 I X 14.5000 7.575E-02 I X 14.7500 6.270E-02 I X 15.0000 4.898E-02 I X 15.5000 2.019E-02 I X 16.0000 -9.398E-03 X I 16.5000 -3.865E-02 X I 17.0000 -6.654E-02 X I 17.5000 -9.219E-02 X I 18.0000 -1.149E-01 X I 18.5000 -1.340E-01 X I 19.0000 -1.493E-01 X I 19.5000 -1.604E-01 X I 20.0000 -1.672E-01 X I 20.5000 -1.697E-01 X I 21.0000 -1.681E-01 X I 21.5000 -1.626E-01 X I 22.0000 -1.535E-01 X I 22.5000 -1.412E-01 X I 23.0000 -1.260E-01 X I 23.5000 -1.084E-01 X I 24.0000 -8.877E-02 X I 24.5000 -6.760E-02 X I 25.0000 -4.529E-02 X I 25.5000 -2.225E-02 X I 26.0000 1.125E-03 X 26.5000 2.449E-02 I X 27.0000 4.752E-02 I X 27.5000 6.992E-02 I X 28.0000 9.146E-02 I X 28.5000 1.119E-01 I X 29.0000 1.311E-01 I X 29.5000 1.489E-01 I X 30.0000 1.653E-01 I X 31.0000 1.931E-01 I X 32.0000 2.144E-01 I X 33.0000 2.293E-01 I X 34.0000 2.382E-01 I X 35.0000 2.415E-01 I X 36.0000 2.402E-01 I X 37.0000 2.348E-01 I X 38.0000 2.262E-01 I X 39.0000 2.152E-01 I X 40.0000 2.023E-01 I X 41.0000 1.883E-01 I X 42.0000 1.736E-01 I X 43.0000 1.587E-01 I X 44.0000 1.440E-01 I X 45.0000 1.297E-01 I X 46.0000 1.160E-01 I X 47.0000 1.032E-01 I X 48.0000 9.123E-02 I X 49.0000 8.024E-02 I X 50.0000 7.021E-02 I X 52.0000 5.302E-02 I X 54.0000 3.937E-02 I X 56.0000 2.880E-02 I X 58.0000 2.078E-02 I X 60.0000 1.481E-02 I X 62.0000 1.044E-02 I X 64.0000 7.284E-03 I X 66.0000 5.033E-03 IX 68.0000 3.447E-03 IX 0.0 0.0 0.0 0.0 T d6s2 9p d6s2 9p 336990.3 299990.3 FIXEDHF 37000.0 29 28.01 CONFIG=d6s2 9p d6s2 L=1 ELIM= 344113.400 N= 9 E= 336990.300 E= -0.06491047 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 17000 NSAVE=17000 IRREG=0 IFITER=99 NNODES= 7 NUMR 16461 NUMS 16461 NUML 16996 RS 27.013 RL 0.250 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 RMAX 1.33273057 RMIN -1.00000000 RSCALE 1.29391318 RMAX 1.29391318 RMIN -1.00000000 RSCALE 1.25622639 RMAX 1.25622639 RMIN -1.00000000 RSCALE 1.21963727 RMAX 1.21963727 RMIN -1.00000000 RSCALE 1.18411385 RMAX 1.18411385 RMIN -1.00000000 RSCALE 1.14962510 RMAX 1.14962510 RMIN -1.00000000 RSCALE 1.11614087 RMAX 1.11614087 RMIN -1.00000000 RSCALE 1.08363191 RMAX 1.08363191 RMIN -1.00000000 RSCALE 1.05206982 RMAX 1.05206982 RMIN -1.00000000 RSCALE 1.02142701 RMAX 1.02142701 RMIN -1.00000000 RSCALE 0.99167671 RMAX 0.99167671 RMIN -1.00000000 RSCALE 0.96279292 RMAX 0.96279292 RMIN -1.00000000 RSCALE 0.93475041 RMAX 0.93475041 RMIN -1.00000000 RSCALE 0.90752467 RMAX 0.90752467 RMIN -1.00000000 RSCALE 0.88109191 DEL -52.07102228 RSCALE 0.88109191 DEL -172.97167535 RSCALE 0.88972849 DEL -52.07102228 RSCALE 0.88109191 DEL -39.26273206 RSCALE 0.87737220 DEL -24.36436203 RSCALE 0.86885556 DEL -17.13261109 RSCALE 0.86042159 DEL -12.87067520 RSCALE 0.85206949 DEL -10.06725022 RSCALE 0.84379847 DEL -8.08747396 RSCALE 0.83560773 DEL -6.61806091 RSCALE 0.82749650 DEL -5.48659421 RSCALE 0.81946400 DEL -4.59036174 RSCALE 0.81150948 DEL -3.86437309 RSCALE 0.80363217 DEL -3.26550545 RSCALE 0.79583132 DEL -2.76402506 RSCALE 0.78810620 DEL -2.33876905 RSCALE 0.78045606 DEL -1.97426797 RSCALE 0.77288019 DEL -1.65895432 RSCALE 0.76537785 DEL -1.38400737 RSCALE 0.75794834 DEL -1.14258519 RSCALE 0.75059095 DEL -0.92930067 RSCALE 0.74330497 DEL -0.73985553 RSCALE 0.73608972 DEL -0.57077945 RSCALE 0.72894451 DEL -0.41924074 RSCALE 0.72186866 DEL -0.28290666 RSCALE 0.71486149 DEL -0.15983878 RSCALE 0.70792234 DEL -0.04841362 RSCALE 0.70105055 DEL -0.00296303 RSCALE 0.69806479 DEL -0.00005914 RSCALE 0.69787014 DEL -0.00000007 RSCALE 0.69786618 DEL 0.00000000 RSCALE 0.69786617 CNORM= 1.00045E+00 0.0500 9.353E-03 I X 0.1000 2.003E-02 I X 0.1500 2.434E-02 I X 0.2000 2.285E-02 I X 0.2500 1.751E-02 I X 0.3000 1.003E-02 I X 0.3500 1.626E-03 X 0.4000 -6.908E-03 X I 0.4500 -1.510E-02 X I 0.5000 -2.269E-02 X I 0.5500 -2.953E-02 X I 0.6000 -3.558E-02 X I 0.6500 -4.083E-02 X I 0.7000 -4.531E-02 X I 0.7500 -4.907E-02 X I 0.8000 -5.214E-02 X I 0.8500 -5.459E-02 X I 0.9000 -5.645E-02 X I 0.9500 -5.777E-02 X I 1.0000 -5.860E-02 X I 1.1000 -5.892E-02 X I 1.2000 -5.769E-02 X I 1.3000 -5.511E-02 X I 1.4000 -5.140E-02 X I 1.5000 -4.670E-02 X I 1.6000 -4.118E-02 X I 1.7000 -3.496E-02 X I 1.8000 -2.818E-02 X I 1.9000 -2.096E-02 X I 2.0000 -1.344E-02 X I 2.1000 -5.719E-03 X I 2.2000 2.081E-03 IX 2.3000 9.853E-03 I X 2.4000 1.750E-02 I X 2.5000 2.492E-02 I X 2.6000 3.205E-02 I X 2.7000 3.879E-02 I X 2.8000 4.510E-02 I X 2.9000 5.090E-02 I X 3.0000 5.616E-02 I X 3.1000 6.083E-02 I X 3.2000 6.489E-02 I X 3.3000 6.830E-02 I X 3.4000 7.105E-02 I X 3.5000 7.314E-02 I X 3.6000 7.456E-02 I X 3.7000 7.532E-02 I X 3.8000 7.542E-02 I X 3.9000 7.488E-02 I X 4.0000 7.371E-02 I X 4.1000 7.196E-02 I X 4.2000 6.963E-02 I X 4.3000 6.676E-02 I X 4.4000 6.339E-02 I X 4.5000 5.955E-02 I X 4.6000 5.528E-02 I X 4.7000 5.062E-02 I X 4.8000 4.560E-02 I X 4.9000 4.027E-02 I X 5.0000 3.467E-02 I X 5.2000 2.284E-02 I X 5.4000 1.043E-02 I X 5.6000 -2.233E-03 XI 5.8000 -1.485E-02 X I 6.0000 -2.713E-02 X I 6.2000 -3.882E-02 X I 6.4000 -4.969E-02 X I 6.6000 -5.955E-02 X I 6.8000 -6.823E-02 X I 7.0000 -7.561E-02 X I 7.2000 -8.158E-02 X I 7.4000 -8.607E-02 X I 7.6000 -8.906E-02 X I 7.8000 -9.053E-02 X I 8.0000 -9.050E-02 X I 8.2000 -8.900E-02 X I 8.4000 -8.611E-02 X I 8.6000 -8.191E-02 X I 8.8000 -7.648E-02 X I 9.0000 -6.993E-02 X I 9.2000 -6.240E-02 X I 9.4000 -5.400E-02 X I 9.6000 -4.488E-02 X I 9.8000 -3.516E-02 X I 10.0000 -2.498E-02 X I 10.2500 -1.184E-02 X I 10.5000 1.530E-03 X 10.7500 1.487E-02 I X 11.0000 2.795E-02 I X 11.2500 4.053E-02 I X 11.5000 5.242E-02 I X 11.7500 6.344E-02 I X 12.0000 7.342E-02 I X 12.2500 8.223E-02 I X 12.5000 8.978E-02 I X 12.7500 9.596E-02 I X 13.0000 1.007E-01 I X 13.2500 1.040E-01 I X 13.5000 1.059E-01 I X 13.7500 1.063E-01 I X 14.0000 1.053E-01 I X 14.2500 1.028E-01 I X 14.5000 9.909E-02 I X 14.7500 9.410E-02 I X 15.0000 8.795E-02 I X 15.5000 7.258E-02 I X 16.0000 5.387E-02 I X 16.5000 3.277E-02 I X 17.0000 1.028E-02 I X 17.5000 -1.264E-02 X I 18.0000 -3.507E-02 X I 18.5000 -5.618E-02 X I 19.0000 -7.527E-02 X I 19.5000 -9.172E-02 X I 20.0000 -1.051E-01 X I 20.5000 -1.151E-01 X I 21.0000 -1.214E-01 X I 21.5000 -1.241E-01 X I 22.0000 -1.232E-01 X I 22.5000 -1.188E-01 X I 23.0000 -1.112E-01 X I 23.5000 -1.007E-01 X I 24.0000 -8.761E-02 X I 24.5000 -7.238E-02 X I 25.0000 -5.542E-02 X I 25.5000 -3.719E-02 X I 26.0000 -1.813E-02 X I 26.5000 1.314E-03 X 27.0000 2.074E-02 I X 27.5000 3.975E-02 I X 28.0000 5.798E-02 I X 28.5000 7.513E-02 I X 29.0000 9.091E-02 I X 29.5000 1.051E-01 I X 30.0000 1.175E-01 I X 31.0000 1.363E-01 I X 32.0000 1.468E-01 I X 33.0000 1.487E-01 I X 34.0000 1.426E-01 I X 35.0000 1.292E-01 I X 36.0000 1.097E-01 I X 37.0000 8.528E-02 I X 38.0000 5.730E-02 I X 39.0000 2.708E-02 I X 40.0000 -4.127E-03 XI 41.0000 -3.521E-02 X I 42.0000 -6.520E-02 X I 43.0000 -9.330E-02 X I 44.0000 -1.189E-01 X I 45.0000 -1.415E-01 X I 46.0000 -1.609E-01 X I 47.0000 -1.769E-01 X I 48.0000 -1.896E-01 X I 49.0000 -1.988E-01 X I 50.0000 -2.050E-01 X I 52.0000 -2.087E-01 X I 54.0000 -2.031E-01 X I 56.0000 -1.906E-01 X I 58.0000 -1.735E-01 X I 60.0000 -1.540E-01 X I 62.0000 -1.338E-01 X I 64.0000 -1.140E-01 X I 66.0000 -9.549E-02 X I 68.0000 -7.878E-02 X I 70.0000 -6.412E-02 X I 72.0000 -5.153E-02 X I 74.0000 -4.095E-02 X I 76.0000 -3.221E-02 X I 78.0000 -2.509E-02 X I 80.0000 -1.937E-02 X I 82.0000 -1.483E-02 X I 84.0000 -1.127E-02 X I 86.0000 -8.500E-03 X I 88.0000 -6.369E-03 X I 90.0000 -4.742E-03 XI 92.0000 -3.510E-03 XI 94.0000 -2.583E-03 XI HF 1.5 0.0 0.0 0.0 U d8 4f d8 4f 130120.8 113048.4 17000.0 30 28.01 CONFIG=d8 4f d8 L=3 ELIM= 140865.000 N= 4 E= 113048.400HF E= -0.25348352 Z=2.0000 L=3.0000 STEP=-.0500 NUM= 7900 NSAVE= 7900 IRREG=0 IFITER=99 NNODES= 0 NUMR 7361 NUMS 7361 NUML 7871 RS 27.013 RL 1.500 DEL 2.30123947 RSCALE 1.50000000 DEL 3.18187964 RSCALE 1.48543952 DEL 2.30142278 RSCALE 1.50000000 DEL 1.66100347 RSCALE 1.51470320 DEL 1.17532417 RSCALE 1.52955052 DEL 0.79529683 RSCALE 1.54454338 DEL 0.49068235 RSCALE 1.55968321 DEL 0.24184724 RSCALE 1.57497143 DEL 0.04256065 RSCALE 1.58983032 DEL 0.00446759 RSCALE 1.59300366 DEL 0.00009301 RSCALE 1.59337584 DEL 0.00000027 RSCALE 1.59338375 DEL 0.00000003 RSCALE 1.59338377 DEL 0.00000001 RSCALE 1.59338377 DEL 0.00000000 RSCALE 1.59338378 CNORM= 1.02045E+00 0.0500 7.015E-06 X 0.1000 8.236E-05 X 0.1500 3.122E-04 X 0.2000 7.515E-04 X 0.2500 1.419E-03 X 0.3000 2.306E-03 X 0.3500 3.389E-03 IX 0.4000 4.640E-03 IX 0.4500 6.026E-03 IX 0.5000 7.518E-03 IX 0.5500 9.090E-03 IX 0.6000 1.072E-02 I X 0.6500 1.240E-02 I X 0.7000 1.410E-02 I X 0.7500 1.582E-02 I X 0.8000 1.755E-02 I X 0.8500 1.930E-02 I X 0.9000 2.104E-02 I X 0.9500 2.279E-02 I X 1.0000 2.454E-02 I X 1.1000 2.806E-02 I X 1.2000 3.161E-02 I X 1.3000 3.522E-02 I X 1.4000 3.891E-02 I X 1.5000 4.271E-02 I X 1.6000 4.663E-02 I X 1.7000 5.070E-02 I X 1.8000 5.494E-02 I X 1.9000 5.936E-02 I X 2.0000 6.397E-02 I X 2.1000 6.879E-02 I X 2.2000 7.383E-02 I X 2.3000 7.909E-02 I X 2.4000 8.457E-02 I X 2.5000 9.028E-02 I X 2.6000 9.621E-02 I X 2.7000 1.024E-01 I X 2.8000 1.087E-01 I X 2.9000 1.153E-01 I X 3.0000 1.221E-01 I X 3.1000 1.291E-01 I X 3.2000 1.362E-01 I X 3.3000 1.435E-01 I X 3.4000 1.510E-01 I X 3.5000 1.586E-01 I X 3.6000 1.663E-01 I X 3.7000 1.740E-01 I X 3.8000 1.819E-01 I X 3.9000 1.898E-01 I X 4.0000 1.977E-01 I X 4.1000 2.056E-01 I X 4.2000 2.135E-01 I X 4.3000 2.214E-01 I X 4.4000 2.292E-01 I X 4.5000 2.369E-01 I X 4.6000 2.446E-01 I X 4.7000 2.521E-01 I X 4.8000 2.594E-01 I X 4.9000 2.667E-01 I X 5.0000 2.737E-01 I X 5.2000 2.872E-01 I X 5.4000 3.000E-01 I X 5.6000 3.118E-01 I X 5.8000 3.226E-01 I X 6.0000 3.324E-01 I X 6.2000 3.411E-01 I X 6.4000 3.488E-01 I X 6.6000 3.554E-01 I X 6.8000 3.608E-01 I X 7.0000 3.652E-01 I X 7.2000 3.685E-01 I X 7.4000 3.708E-01 I X 7.6000 3.721E-01 I X 7.8000 3.724E-01 I X 8.0000 3.718E-01 I X 8.2000 3.703E-01 I X 8.4000 3.679E-01 I X 8.6000 3.648E-01 I X 8.8000 3.610E-01 I X 9.0000 3.565E-01 I X 9.2000 3.514E-01 I X 9.4000 3.458E-01 I X 9.6000 3.396E-01 I X 9.8000 3.330E-01 I X 10.0000 3.260E-01 I X 10.2500 3.168E-01 I X 10.5000 3.071E-01 I X 10.7500 2.971E-01 I X 11.0000 2.868E-01 I X 11.2500 2.763E-01 I X 11.5000 2.657E-01 I X 11.7500 2.550E-01 I X 12.0000 2.443E-01 I X 12.2500 2.336E-01 I X 12.5000 2.231E-01 I X 12.7500 2.127E-01 I X 13.0000 2.025E-01 I X 13.2500 1.925E-01 I X 13.5000 1.827E-01 I X 13.7500 1.732E-01 I X 14.0000 1.640E-01 I X 14.2500 1.551E-01 I X 14.5000 1.465E-01 I X 14.7500 1.382E-01 I X 15.0000 1.302E-01 I X 15.5000 1.152E-01 I X 16.0000 1.016E-01 I X 16.5000 8.918E-02 I X 17.0000 7.802E-02 I X 17.5000 6.803E-02 I X 18.0000 5.913E-02 I X 18.5000 5.123E-02 I X 19.0000 4.426E-02 I X 19.5000 3.814E-02 I X 20.0000 3.278E-02 I X 20.5000 2.810E-02 I X 21.0000 2.403E-02 I X 21.5000 2.051E-02 I X 22.0000 1.747E-02 I X 22.5000 1.484E-02 I X 23.0000 1.259E-02 I X 23.5000 1.066E-02 I X 24.0000 9.007E-03 IX 24.5000 7.599E-03 IX 25.0000 6.400E-03 IX 25.5000 5.382E-03 IX 26.0000 4.519E-03 IX 26.5000 3.789E-03 IX 0.0 0.0 0.0 0.0 V d8 5f d8 5f 140091.1 123081.9 17000.0 31 28.01 CONFIG=d8 5f d8 L=3 ELIM= 161648.800 N= 5 E= 140091.100 E= -0.19644823 Z=2.0000 L=3.0000 STEP=-.0500 NUM= 9100 NSAVE= 9100 IRREG=0 IFITER=99 NNODES= 1 NUMR 8885 NUMS 8885 NUML 9071 RS 10.805 RL 1.500 P0 0.00000000 RSCALE 2.91262136 R 2.02500000 P0 0.00000000 RSCALE 2.82778773 R 1.95000000 P0 0.00000000 RSCALE 2.74542498 R 1.85000000 P0 0.00000000 RSCALE 2.66546114 R 1.77500000 P0 0.00000000 RSCALE 2.58782635 R 1.67500000 P0 0.00000000 RSCALE 2.51245277 R 1.57500000 RMAX 2.51245277 RMIN -1.00000000 RSCALE 2.43927453 RMAX 2.43927453 RMIN -1.00000000 RSCALE 2.36822770 RMAX 2.36822770 RMIN -1.00000000 RSCALE 2.29925020 RMAX 2.29925020 RMIN -1.00000000 RSCALE 2.23228174 RMAX 2.23228174 RMIN -1.00000000 RSCALE 2.16726383 RMAX 2.16726383 RMIN -1.00000000 RSCALE 2.10413964 RMAX 2.10413964 RMIN -1.00000000 RSCALE 2.04285402 RMAX 2.04285402 RMIN -1.00000000 RSCALE 1.98335342 RMAX 1.98335342 RMIN -1.00000000 RSCALE 1.92558584 RMAX 1.92558584 RMIN -1.00000000 RSCALE 1.86950082 RMAX 1.86950082 RMIN -1.00000000 RSCALE 1.81504934 DEL 3.45685192 RSCALE 1.81504934 RMAX 1.86950082 RMIN 1.79743068 RSCALE 1.81504934 DEL 3.45685192 RSCALE 1.81504934 DEL 3.45685200 RSCALE 1.81504934 DEL 1.22462675 RSCALE 1.82348344 DEL 0.55928593 RSCALE 1.82811049 DEL 0.14590456 RSCALE 1.83200000 DEL 0.02248386 RSCALE 1.83337281 DEL 0.00105806 RSCALE 1.83362290 DEL 0.00000804 RSCALE 1.83363525 DEL 0.00000000 RSCALE 1.83363535 CNORM= 1.10218E+00 0.0500 1.192E-04 X 0.1000 1.391E-03 X 0.1500 5.218E-03 IX 0.2000 1.240E-02 I X 0.2500 2.306E-02 I X 0.3000 3.683E-02 I X 0.3500 5.311E-02 I X 0.4000 7.119E-02 I X 0.4500 9.039E-02 I X 0.5000 1.101E-01 I X 0.5500 1.297E-01 I X 0.6000 1.490E-01 I X 0.6500 1.674E-01 I X 0.7000 1.849E-01 I X 0.7500 2.013E-01 I X 0.8000 2.164E-01 I X 0.8500 2.302E-01 I X 0.9000 2.428E-01 I X 0.9500 2.541E-01 I X 1.0000 2.641E-01 I X 1.1000 2.808E-01 I X 1.2000 2.934E-01 I X 1.3000 3.025E-01 I X 1.4000 3.086E-01 I X 1.5000 3.123E-01 I X 1.6000 3.140E-01 I X 1.7000 3.141E-01 I X 1.8000 3.130E-01 I X 1.9000 3.109E-01 I X 2.0000 3.080E-01 I X 2.1000 3.046E-01 I X 2.2000 3.007E-01 I X 2.3000 2.965E-01 I X 2.4000 2.920E-01 I X 2.5000 2.874E-01 I X 2.6000 2.826E-01 I X 2.7000 2.777E-01 I X 2.8000 2.727E-01 I X 2.9000 2.676E-01 I X 3.0000 2.624E-01 I X 3.1000 2.572E-01 I X 3.2000 2.520E-01 I X 3.3000 2.466E-01 I X 3.4000 2.412E-01 I X 3.5000 2.356E-01 I X 3.6000 2.300E-01 I X 3.7000 2.242E-01 I X 3.8000 2.184E-01 I X 3.9000 2.124E-01 I X 4.0000 2.062E-01 I X 4.1000 1.999E-01 I X 4.2000 1.935E-01 I X 4.3000 1.868E-01 I X 4.4000 1.800E-01 I X 4.5000 1.731E-01 I X 4.6000 1.659E-01 I X 4.7000 1.586E-01 I X 4.8000 1.511E-01 I X 4.9000 1.434E-01 I X 5.0000 1.356E-01 I X 5.2000 1.194E-01 I X 5.4000 1.025E-01 I X 5.6000 8.519E-02 I X 5.8000 6.737E-02 I X 6.0000 4.919E-02 I X 6.2000 3.074E-02 I X 6.4000 1.212E-02 I X 6.6000 -6.568E-03 XI 6.8000 -2.522E-02 X I 7.0000 -4.374E-02 X I 7.2000 -6.203E-02 X I 7.4000 -8.000E-02 X I 7.6000 -9.758E-02 X I 7.8000 -1.147E-01 X I 8.0000 -1.312E-01 X I 8.2000 -1.472E-01 X I 8.4000 -1.625E-01 X I 8.6000 -1.770E-01 X I 8.8000 -1.908E-01 X I 9.0000 -2.039E-01 X I 9.2000 -2.161E-01 X I 9.4000 -2.275E-01 X I 9.6000 -2.380E-01 X I 9.8000 -2.477E-01 X I 10.0000 -2.565E-01 X I 10.2500 -2.663E-01 X I 10.5000 -2.748E-01 X I 10.7500 -2.820E-01 X I 11.0000 -2.879E-01 X I 11.2500 -2.926E-01 X I 11.5000 -2.962E-01 X I 11.7500 -2.986E-01 X I 12.0000 -2.999E-01 X I 12.2500 -3.003E-01 X I 12.5000 -2.997E-01 X I 12.7500 -2.982E-01 X I 13.0000 -2.959E-01 X I 13.2500 -2.929E-01 X I 13.5000 -2.892E-01 X I 13.7500 -2.848E-01 X I 14.0000 -2.800E-01 X I 14.2500 -2.746E-01 X I 14.5000 -2.688E-01 X I 14.7500 -2.626E-01 X I 15.0000 -2.561E-01 X I 15.5000 -2.424E-01 X I 16.0000 -2.279E-01 X I 16.5000 -2.131E-01 X I 17.0000 -1.981E-01 X I 17.5000 -1.833E-01 X I 18.0000 -1.688E-01 X I 18.5000 -1.548E-01 X I 19.0000 -1.413E-01 X I 19.5000 -1.286E-01 X I 20.0000 -1.165E-01 X I 20.5000 -1.053E-01 X I 21.0000 -9.478E-02 X I 21.5000 -8.508E-02 X I 22.0000 -7.616E-02 X I 22.5000 -6.799E-02 X I 23.0000 -6.054E-02 X I 23.5000 -5.377E-02 X I 24.0000 -4.765E-02 X I 24.5000 -4.212E-02 X I 25.0000 -3.716E-02 X I 25.5000 -3.272E-02 X I 26.0000 -2.875E-02 X I 26.5000 -2.522E-02 X I 27.0000 -2.208E-02 X I 27.5000 -1.929E-02 X I 28.0000 -1.683E-02 X I 28.5000 -1.466E-02 X I 29.0000 -1.275E-02 X I 29.5000 -1.108E-02 X I 30.0000 -9.606E-03 X I 31.0000 -7.195E-03 XI 32.0000 -5.361E-03 XI 33.0000 -3.976E-03 XI 0.0 0.0 0.0 0.0 W d8 6f d8 6f 145504.1 128534.3 17000.0 32 28.01 CONFIG=d8 6f d8 L=3 ELIM= 161648.800 N= 6 E= 145504.100 E= -0.14712134 Z=2.0000 L=3.0000 STEP=-.0500 NUM= 10700 NSAVE=10700 IRREG=0 IFITER=99 NNODES= 2 NUMR 10485 NUMS 10485 NUML 10671 RS 10.805 RL 1.500 RMAX 3.00000000 RMIN -1.00000000 RSCALE 2.91262136 RMAX 2.91262136 RMIN -1.00000000 RSCALE 2.82778773 RMAX 2.82778773 RMIN -1.00000000 RSCALE 2.74542498 RMAX 2.74542498 RMIN -1.00000000 RSCALE 2.66546114 RMAX 2.66546114 RMIN -1.00000000 RSCALE 2.58782635 RMAX 2.58782635 RMIN -1.00000000 RSCALE 2.51245277 RMAX 2.51245277 RMIN -1.00000000 RSCALE 2.43927453 RMAX 2.43927453 RMIN -1.00000000 RSCALE 2.36822770 RMAX 2.36822770 RMIN -1.00000000 RSCALE 2.29925020 RMAX 2.29925020 RMIN -1.00000000 RSCALE 2.23228174 RMAX 2.23228174 RMIN -1.00000000 RSCALE 2.16726383 RMAX 2.16726383 RMIN -1.00000000 RSCALE 2.10413964 RMAX 2.10413964 RMIN -1.00000000 RSCALE 2.04285402 RMAX 2.04285402 RMIN -1.00000000 RSCALE 1.98335342 RMAX 1.98335342 RMIN -1.00000000 RSCALE 1.92558584 DEL -34.79461144 RSCALE 1.92558584 RMAX 1.94446069 RMIN -1.00000000 RSCALE 1.93502327 RMAX 1.93502327 RMIN -1.00000000 RSCALE 1.93030455 DEL -130.92205850 RSCALE 1.93030455 DEL -26.79225044 RSCALE 1.92387784 DEL -21.65199814 RSCALE 1.92222427 DEL -11.01925202 RSCALE 1.91525902 DEL -6.48615991 RSCALE 1.90804058 DEL -3.32537659 RSCALE 1.89771210 DEL -1.57804821 RSCALE 1.88684578 DEL -0.60791803 RSCALE 1.87703218 DEL -0.16496215 RSCALE 1.87088264 DEL -0.02310500 RSCALE 1.86859247 DEL -0.00102262 RSCALE 1.86821946 DEL -0.00000665 RSCALE 1.86820218 DEL 0.00000000 RSCALE 1.86820207 CNORM= 1.00925E+00 0.0500 7.746E-05 X 0.1000 9.024E-04 X 0.1500 3.382E-03 IX 0.2000 8.024E-03 I X 0.2500 1.489E-02 I X 0.3000 2.373E-02 I X 0.3500 3.412E-02 I X 0.4000 4.560E-02 I X 0.4500 5.771E-02 I X 0.5000 7.004E-02 I X 0.5500 8.224E-02 I X 0.6000 9.404E-02 I X 0.6500 1.052E-01 I X 0.7000 1.157E-01 I X 0.7500 1.253E-01 I X 0.8000 1.340E-01 I X 0.8500 1.418E-01 I X 0.9000 1.487E-01 I X 0.9500 1.547E-01 I X 1.0000 1.598E-01 I X 1.1000 1.676E-01 I X 1.2000 1.725E-01 I X 1.3000 1.749E-01 I X 1.4000 1.753E-01 I X 1.5000 1.739E-01 I X 1.6000 1.711E-01 I X 1.7000 1.672E-01 I X 1.8000 1.624E-01 I X 1.9000 1.569E-01 I X 2.0000 1.507E-01 I X 2.1000 1.442E-01 I X 2.2000 1.372E-01 I X 2.3000 1.300E-01 I X 2.4000 1.225E-01 I X 2.5000 1.148E-01 I X 2.6000 1.070E-01 I X 2.7000 9.898E-02 I X 2.8000 9.091E-02 I X 2.9000 8.273E-02 I X 3.0000 7.448E-02 I X 3.1000 6.616E-02 I X 3.2000 5.777E-02 I X 3.3000 4.933E-02 I X 3.4000 4.084E-02 I X 3.5000 3.231E-02 I X 3.6000 2.375E-02 I X 3.7000 1.516E-02 I X 3.8000 6.549E-03 IX 3.9000 -2.066E-03 X 4.0000 -1.068E-02 X I 4.1000 -1.928E-02 X I 4.2000 -2.785E-02 X I 4.3000 -3.638E-02 X I 4.4000 -4.486E-02 X I 4.5000 -5.328E-02 X I 4.6000 -6.161E-02 X I 4.7000 -6.985E-02 X I 4.8000 -7.797E-02 X I 4.9000 -8.597E-02 X I 5.0000 -9.381E-02 X I 5.2000 -1.090E-01 X I 5.4000 -1.234E-01 X I 5.6000 -1.369E-01 X I 5.8000 -1.495E-01 X I 6.0000 -1.609E-01 X I 6.2000 -1.711E-01 X I 6.4000 -1.800E-01 X I 6.6000 -1.876E-01 X I 6.8000 -1.938E-01 X I 7.0000 -1.986E-01 X I 7.2000 -2.020E-01 X I 7.4000 -2.040E-01 X I 7.6000 -2.045E-01 X I 7.8000 -2.037E-01 X I 8.0000 -2.015E-01 X I 8.2000 -1.979E-01 X I 8.4000 -1.930E-01 X I 8.6000 -1.870E-01 X I 8.8000 -1.797E-01 X I 9.0000 -1.714E-01 X I 9.2000 -1.621E-01 X I 9.4000 -1.518E-01 X I 9.6000 -1.406E-01 X I 9.8000 -1.286E-01 X I 10.0000 -1.160E-01 X I 10.2500 -9.933E-02 X I 10.5000 -8.186E-02 X I 10.7500 -6.375E-02 X I 11.0000 -4.516E-02 X I 11.2500 -2.624E-02 X I 11.5000 -7.131E-03 XI 11.7500 1.203E-02 I X 12.0000 3.111E-02 I X 12.2500 4.999E-02 I X 12.5000 6.856E-02 I X 12.7500 8.672E-02 I X 13.0000 1.044E-01 I X 13.2500 1.215E-01 I X 13.5000 1.379E-01 I X 13.7500 1.536E-01 I X 14.0000 1.685E-01 I X 14.2500 1.826E-01 I X 14.5000 1.959E-01 I X 14.7500 2.083E-01 I X 15.0000 2.198E-01 I X 15.5000 2.400E-01 I X 16.0000 2.566E-01 I X 16.5000 2.697E-01 I X 17.0000 2.792E-01 I X 17.5000 2.855E-01 I X 18.0000 2.888E-01 I X 18.5000 2.894E-01 I X 19.0000 2.875E-01 I X 19.5000 2.834E-01 I X 20.0000 2.775E-01 I X 20.5000 2.699E-01 I X 21.0000 2.611E-01 I X 21.5000 2.512E-01 I X 22.0000 2.404E-01 I X 22.5000 2.291E-01 I X 23.0000 2.174E-01 I X 23.5000 2.055E-01 I X 24.0000 1.934E-01 I X 24.5000 1.815E-01 I X 25.0000 1.697E-01 I X 25.5000 1.582E-01 I X 26.0000 1.470E-01 I X 26.5000 1.362E-01 I X 27.0000 1.259E-01 I X 27.5000 1.161E-01 I X 28.0000 1.068E-01 I X 28.5000 9.796E-02 I X 29.0000 8.968E-02 I X 29.5000 8.193E-02 I X 30.0000 7.470E-02 I X 31.0000 6.174E-02 I X 32.0000 5.066E-02 I X 33.0000 4.129E-02 I X 34.0000 3.345E-02 I X 35.0000 2.694E-02 I X 36.0000 2.159E-02 I X 37.0000 1.721E-02 I X 38.0000 1.365E-02 I X 39.0000 1.079E-02 I X 40.0000 8.485E-03 I X 41.0000 6.648E-03 IX 42.0000 5.190E-03 IX 43.0000 4.037E-03 IX 44.0000 3.130E-03 IX 0.0 0.0 0.0 0.0 X d8 7f d8 7f 148780.6 131818.4 17000.0 33 28.01 CONFIG=d8 7f d8 L=3 ELIM= 161648.800 N= 7 E= 148780.600 E= -0.11726367 Z=2.0000 L=3.0000 STEP=-.0500 NUM= 12100 NSAVE=12100 IRREG=0 IFITER=99 NNODES= 3 NUMR 11885 NUMS 11885 NUML 12071 RS 10.805 RL 1.500 RMAX 3.00000000 RMIN -1.00000000 RSCALE 2.91262136 RMAX 2.91262136 RMIN -1.00000000 RSCALE 2.82778773 RMAX 2.82778773 RMIN -1.00000000 RSCALE 2.74542498 RMAX 2.74542498 RMIN -1.00000000 RSCALE 2.66546114 RMAX 2.66546114 RMIN -1.00000000 RSCALE 2.58782635 RMAX 2.58782635 RMIN -1.00000000 RSCALE 2.51245277 RMAX 2.51245277 RMIN -1.00000000 RSCALE 2.43927453 RMAX 2.43927453 RMIN -1.00000000 RSCALE 2.36822770 RMAX 2.36822770 RMIN -1.00000000 RSCALE 2.29925020 RMAX 2.29925020 RMIN -1.00000000 RSCALE 2.23228174 DEL -1.81701448 RSCALE 2.23228174 DEL -5.52908163 RSCALE 2.25416287 DEL -1.81701443 RSCALE 2.23228174 DEL -1.02759175 RSCALE 2.22157118 DEL -0.36092214 RSCALE 2.20762924 DEL -0.10162295 RSCALE 2.20008135 DEL -0.01371798 RSCALE 2.19712322 DEL -0.00060494 RSCALE 2.19666159 DEL -0.00000378 RSCALE 2.19664029 DEL 0.00000000 RSCALE 2.19664016 CNORM= 1.00761E+00 0.0500 5.374E-05 X 0.1000 6.218E-04 X 0.1500 2.306E-03 X 0.2000 5.396E-03 IX 0.2500 9.849E-03 I X 0.3000 1.540E-02 I X 0.3500 2.166E-02 I X 0.4000 2.825E-02 I X 0.4500 3.480E-02 I X 0.5000 4.100E-02 I X 0.5500 4.661E-02 I X 0.6000 5.147E-02 I X 0.6500 5.546E-02 I X 0.7000 5.853E-02 I X 0.7500 6.065E-02 I X 0.8000 6.184E-02 I X 0.8500 6.214E-02 I X 0.9000 6.160E-02 I X 0.9500 6.029E-02 I X 1.0000 5.827E-02 I X 1.1000 5.242E-02 I X 1.2000 4.463E-02 I X 1.3000 3.541E-02 I X 1.4000 2.523E-02 I X 1.5000 1.445E-02 I X 1.6000 3.379E-03 IX 1.7000 -7.755E-03 X I 1.8000 -1.878E-02 X I 1.9000 -2.956E-02 X I 2.0000 -4.000E-02 X I 2.1000 -5.006E-02 X I 2.2000 -5.967E-02 X I 2.3000 -6.882E-02 X I 2.4000 -7.750E-02 X I 2.5000 -8.570E-02 X I 2.6000 -9.343E-02 X I 2.7000 -1.007E-01 X I 2.8000 -1.075E-01 X I 2.9000 -1.139E-01 X I 3.0000 -1.198E-01 X I 3.1000 -1.253E-01 X I 3.2000 -1.304E-01 X I 3.3000 -1.351E-01 X I 3.4000 -1.394E-01 X I 3.5000 -1.433E-01 X I 3.6000 -1.469E-01 X I 3.7000 -1.501E-01 X I 3.8000 -1.529E-01 X I 3.9000 -1.554E-01 X I 4.0000 -1.575E-01 X I 4.1000 -1.592E-01 X I 4.2000 -1.606E-01 X I 4.3000 -1.617E-01 X I 4.4000 -1.624E-01 X I 4.5000 -1.627E-01 X I 4.6000 -1.627E-01 X I 4.7000 -1.624E-01 X I 4.8000 -1.617E-01 X I 4.9000 -1.606E-01 X I 5.0000 -1.593E-01 X I 5.2000 -1.555E-01 X I 5.4000 -1.505E-01 X I 5.6000 -1.441E-01 X I 5.8000 -1.365E-01 X I 6.0000 -1.277E-01 X I 6.2000 -1.179E-01 X I 6.4000 -1.070E-01 X I 6.6000 -9.515E-02 X I 6.8000 -8.253E-02 X I 7.0000 -6.921E-02 X I 7.2000 -5.531E-02 X I 7.4000 -4.096E-02 X I 7.6000 -2.627E-02 X I 7.8000 -1.137E-02 X I 8.0000 3.626E-03 IX 8.2000 1.859E-02 I X 8.4000 3.341E-02 I X 8.6000 4.798E-02 I X 8.8000 6.220E-02 I X 9.0000 7.596E-02 I X 9.2000 8.917E-02 I X 9.4000 1.018E-01 I X 9.6000 1.137E-01 I X 9.8000 1.248E-01 I X 10.0000 1.351E-01 I X 10.2500 1.467E-01 I X 10.5000 1.569E-01 I X 10.7500 1.655E-01 I X 11.0000 1.726E-01 I X 11.2500 1.781E-01 I X 11.5000 1.820E-01 I X 11.7500 1.844E-01 I X 12.0000 1.851E-01 I X 12.2500 1.843E-01 I X 12.5000 1.821E-01 I X 12.7500 1.784E-01 I X 13.0000 1.733E-01 I X 13.2500 1.669E-01 I X 13.5000 1.594E-01 I X 13.7500 1.507E-01 I X 14.0000 1.409E-01 I X 14.2500 1.302E-01 I X 14.5000 1.187E-01 I X 14.7500 1.064E-01 I X 15.0000 9.349E-02 I X 15.5000 6.601E-02 I X 16.0000 3.703E-02 I X 16.5000 7.258E-03 I X 17.0000 -2.267E-02 X I 17.5000 -5.217E-02 X I 18.0000 -8.074E-02 X I 18.5000 -1.079E-01 X I 19.0000 -1.334E-01 X I 19.5000 -1.569E-01 X I 20.0000 -1.782E-01 X I 20.5000 -1.971E-01 X I 21.0000 -2.137E-01 X I 21.5000 -2.277E-01 X I 22.0000 -2.393E-01 X I 22.5000 -2.486E-01 X I 23.0000 -2.556E-01 X I 23.5000 -2.604E-01 X I 24.0000 -2.631E-01 X I 24.5000 -2.640E-01 X I 25.0000 -2.632E-01 X I 25.5000 -2.608E-01 X I 26.0000 -2.571E-01 X I 26.5000 -2.521E-01 X I 27.0000 -2.461E-01 X I 27.5000 -2.392E-01 X I 28.0000 -2.315E-01 X I 28.5000 -2.233E-01 X I 29.0000 -2.146E-01 X I 29.5000 -2.056E-01 X I 30.0000 -1.963E-01 X I 31.0000 -1.774E-01 X I 32.0000 -1.586E-01 X I 33.0000 -1.405E-01 X I 34.0000 -1.234E-01 X I 35.0000 -1.074E-01 X I 36.0000 -9.286E-02 X I 37.0000 -7.972E-02 X I 38.0000 -6.801E-02 X I 39.0000 -5.767E-02 X I 40.0000 -4.864E-02 X I 41.0000 -4.080E-02 X I 42.0000 -3.407E-02 X I 43.0000 -2.832E-02 X I 44.0000 -2.343E-02 X I 45.0000 -1.931E-02 X I 46.0000 -1.586E-02 X I 47.0000 -1.297E-02 X I 48.0000 -1.057E-02 X I 49.0000 -8.592E-03 X I 50.0000 -6.959E-03 XI 52.0000 -4.526E-03 XI 54.0000 -2.911E-03 XI 0.0 0.0 0.0 0.0 Y d8 8f d8 8f 150946.1 133946.1 FIXEDHF 17000.0 34 28.01 CONFIG=d8 8f d8 L=3 ELIM= 161648.800 N= 8 E= 150946.100 E= -0.09753018 Z=2.0000 L=3.0000 STEP=-.0500 NUM= 13500 NSAVE=13500 IRREG=0 IFITER=99 NNODES= 4 NUMR 13285 NUMS 13285 NUML 13471 RS 10.805 RL 1.500 RMAX 3.00000000 RMIN -1.00000000 RSCALE 2.91262136 RMAX 2.91262136 RMIN -1.00000000 RSCALE 2.82778773 RMAX 2.82778773 RMIN -1.00000000 RSCALE 2.74542498 RMAX 2.74542498 RMIN -1.00000000 RSCALE 2.66546114 DEL 0.95781589 RSCALE 2.66546114 DEL 0.88796105 RSCALE 2.63958755 DEL 0.80752822 RSCALE 2.61396512 DEL 0.71418213 RSCALE 2.58859140 DEL 0.60481114 RSCALE 2.56346398 DEL 0.47517960 RSCALE 2.53858047 DEL 0.31937361 RSCALE 2.51393851 DEL 0.12888182 RSCALE 2.48953575 DEL -0.02723516 RSCALE 2.47302547 DEL 0.00188485 RSCALE 2.47590575 DEL 0.00002579 RSCALE 2.47571932 DEL -0.00000002 RSCALE 2.47571673 DEL 0.00000000 RSCALE 2.47571673 CNORM= 9.98707E-01 0.0500 7.107E-05 X 0.1000 8.184E-04 X 0.1500 3.013E-03 IX 0.2000 6.987E-03 I X 0.2500 1.260E-02 I X 0.3000 1.943E-02 I X 0.3500 2.691E-02 I X 0.4000 3.447E-02 I X 0.4500 4.160E-02 I X 0.5000 4.791E-02 I X 0.5500 5.309E-02 I X 0.6000 5.697E-02 I X 0.6500 5.944E-02 I X 0.7000 6.051E-02 I X 0.7500 6.019E-02 I X 0.8000 5.858E-02 I X 0.8500 5.579E-02 I X 0.9000 5.195E-02 I X 0.9500 4.720E-02 I X 1.0000 4.167E-02 I X 1.1000 2.885E-02 I X 1.2000 1.450E-02 I X 1.3000 -5.219E-04 X 1.4000 -1.554E-02 X I 1.5000 -3.003E-02 X I 1.6000 -4.365E-02 X I 1.7000 -5.613E-02 X I 1.8000 -6.733E-02 X I 1.9000 -7.718E-02 X I 2.0000 -8.566E-02 X I 2.1000 -9.278E-02 X I 2.2000 -9.859E-02 X I 2.3000 -1.032E-01 X I 2.4000 -1.066E-01 X I 2.5000 -1.089E-01 X I 2.6000 -1.102E-01 X I 2.7000 -1.106E-01 X I 2.8000 -1.101E-01 X I 2.9000 -1.089E-01 X I 3.0000 -1.069E-01 X I 3.1000 -1.044E-01 X I 3.2000 -1.012E-01 X I 3.3000 -9.758E-02 X I 3.4000 -9.346E-02 X I 3.5000 -8.893E-02 X I 3.6000 -8.402E-02 X I 3.7000 -7.877E-02 X I 3.8000 -7.323E-02 X I 3.9000 -6.743E-02 X I 4.0000 -6.139E-02 X I 4.1000 -5.515E-02 X I 4.2000 -4.874E-02 X I 4.3000 -4.218E-02 X I 4.4000 -3.549E-02 X I 4.5000 -2.870E-02 X I 4.6000 -2.183E-02 X I 4.7000 -1.490E-02 X I 4.8000 -7.925E-03 X I 4.9000 -9.315E-04 X 5.0000 6.064E-03 IX 5.2000 1.999E-02 I X 5.4000 3.372E-02 I X 5.6000 4.711E-02 I X 5.8000 6.005E-02 I X 6.0000 7.241E-02 I X 6.2000 8.408E-02 I X 6.4000 9.495E-02 I X 6.6000 1.049E-01 I X 6.8000 1.139E-01 I X 7.0000 1.219E-01 I X 7.2000 1.287E-01 I X 7.4000 1.344E-01 I X 7.6000 1.389E-01 I X 7.8000 1.421E-01 I X 8.0000 1.441E-01 I X 8.2000 1.449E-01 I X 8.4000 1.444E-01 I X 8.6000 1.428E-01 I X 8.8000 1.399E-01 I X 9.0000 1.360E-01 I X 9.2000 1.309E-01 I X 9.4000 1.249E-01 I X 9.6000 1.178E-01 I X 9.8000 1.099E-01 I X 10.0000 1.012E-01 I X 10.2500 8.923E-02 I X 10.5000 7.628E-02 I X 10.7500 6.251E-02 I X 11.0000 4.807E-02 I X 11.2500 3.312E-02 I X 11.5000 1.784E-02 I X 11.7500 2.379E-03 IX 12.0000 -1.310E-02 X I 12.2500 -2.846E-02 X I 12.5000 -4.356E-02 X I 12.7500 -5.826E-02 X I 13.0000 -7.244E-02 X I 13.2500 -8.599E-02 X I 13.5000 -9.882E-02 X I 13.7500 -1.108E-01 X I 14.0000 -1.219E-01 X I 14.2500 -1.321E-01 X I 14.5000 -1.412E-01 X I 14.7500 -1.492E-01 X I 15.0000 -1.562E-01 X I 15.5000 -1.666E-01 X I 16.0000 -1.725E-01 X I 16.5000 -1.739E-01 X I 17.0000 -1.708E-01 X I 17.5000 -1.637E-01 X I 18.0000 -1.528E-01 X I 18.5000 -1.386E-01 X I 19.0000 -1.214E-01 X I 19.5000 -1.019E-01 X I 20.0000 -8.038E-02 X I 20.5000 -5.743E-02 X I 21.0000 -3.349E-02 X I 21.5000 -8.999E-03 X I 22.0000 1.564E-02 I X 22.5000 4.005E-02 I X 23.0000 6.389E-02 I X 23.5000 8.688E-02 I X 24.0000 1.088E-01 I X 24.5000 1.293E-01 I X 25.0000 1.484E-01 I X 25.5000 1.659E-01 I X 26.0000 1.818E-01 I X 26.5000 1.958E-01 I X 27.0000 2.081E-01 I X 27.5000 2.186E-01 I X 28.0000 2.274E-01 I X 28.5000 2.344E-01 I X 29.0000 2.398E-01 I X 29.5000 2.436E-01 I X 30.0000 2.460E-01 I X 31.0000 2.467E-01 I X 32.0000 2.427E-01 I X 33.0000 2.349E-01 I X 34.0000 2.241E-01 I X 35.0000 2.111E-01 I X 36.0000 1.966E-01 I X 37.0000 1.813E-01 I X 38.0000 1.656E-01 I X 39.0000 1.500E-01 I X 40.0000 1.349E-01 I X 41.0000 1.204E-01 I X 42.0000 1.068E-01 I X 43.0000 9.409E-02 I X 44.0000 8.246E-02 I X 45.0000 7.188E-02 I X 46.0000 6.234E-02 I X 47.0000 5.382E-02 I X 48.0000 4.626E-02 I X 49.0000 3.959E-02 I X 50.0000 3.375E-02 I X 52.0000 2.426E-02 I X 54.0000 1.720E-02 I X 56.0000 1.205E-02 I X 58.0000 8.345E-03 I X 60.0000 5.721E-03 IX 62.0000 3.885E-03 IX 64.0000 2.615E-03 IX 0.0 0.0 0.0 0.0 Z d8 9f d8 9f 152403.1 135403.1 FIXEDHF 17000.0 35 28.01 CONFIG=d8 9f d8 L=3 ELIM= 161648.800 N= 9 E= 152403.100 E= -0.08425302 Z=2.0000 L=3.0000 STEP=-.0500 NUM= 14600 NSAVE=14600 IRREG=0 IFITER=99 NNODES= 5 NUMR 14385 NUMS 14385 NUML 14571 RS 10.805 RL 1.500 DEL -0.03339630 RSCALE 3.00000000 DEL 0.14074360 RSCALE 3.02940640 DEL 0.00280098 RSCALE 3.00563952 DEL -0.00024168 RSCALE 3.00515692 DEL -0.00000026 RSCALE 3.00519526 DEL -0.00000029 RSCALE 3.00519530 DEL -0.00000271 RSCALE 3.00519494 DEL -0.00000024 RSCALE 3.00519534 DEL -0.00000003 RSCALE 3.00519538 DEL -0.00000001 RSCALE 3.00519538 DEL 0.00000001 RSCALE 3.00519539 CNORM= 9.98763E-01 0.0500 7.555E-05 X 0.1000 8.643E-04 X 0.1500 3.149E-03 IX 0.2000 7.199E-03 I X 0.2500 1.276E-02 I X 0.3000 1.927E-02 I X 0.3500 2.603E-02 I X 0.4000 3.238E-02 I X 0.4500 3.779E-02 I X 0.5000 4.186E-02 I X 0.5500 4.436E-02 I X 0.6000 4.517E-02 I X 0.6500 4.433E-02 I X 0.7000 4.191E-02 I X 0.7500 3.810E-02 I X 0.8000 3.308E-02 I X 0.8500 2.709E-02 I X 0.9000 2.034E-02 I X 0.9500 1.307E-02 I X 1.0000 5.488E-03 IX 1.1000 -9.890E-03 X I 1.2000 -2.452E-02 X I 1.3000 -3.750E-02 X I 1.4000 -4.824E-02 X I 1.5000 -5.643E-02 X I 1.6000 -6.200E-02 X I 1.7000 -6.500E-02 X I 1.8000 -6.560E-02 X I 1.9000 -6.404E-02 X I 2.0000 -6.059E-02 X I 2.1000 -5.553E-02 X I 2.2000 -4.914E-02 X I 2.3000 -4.168E-02 X I 2.4000 -3.341E-02 X I 2.5000 -2.454E-02 X I 2.6000 -1.526E-02 X I 2.7000 -5.762E-03 XI 2.8000 3.819E-03 IX 2.9000 1.335E-02 I X 3.0000 2.274E-02 I X 3.1000 3.188E-02 I X 3.2000 4.071E-02 I X 3.3000 4.917E-02 I X 3.4000 5.721E-02 I X 3.5000 6.480E-02 I X 3.6000 7.191E-02 I X 3.7000 7.851E-02 I X 3.8000 8.461E-02 I X 3.9000 9.018E-02 I X 4.0000 9.524E-02 I X 4.1000 9.976E-02 I X 4.2000 1.038E-01 I X 4.3000 1.073E-01 I X 4.4000 1.103E-01 I X 4.5000 1.127E-01 I X 4.6000 1.147E-01 I X 4.7000 1.163E-01 I X 4.8000 1.173E-01 I X 4.9000 1.179E-01 I X 5.0000 1.181E-01 I X 5.2000 1.172E-01 I X 5.4000 1.147E-01 I X 5.6000 1.108E-01 I X 5.8000 1.055E-01 I X 6.0000 9.897E-02 I X 6.2000 9.134E-02 I X 6.4000 8.271E-02 I X 6.6000 7.320E-02 I X 6.8000 6.294E-02 I X 7.0000 5.205E-02 I X 7.2000 4.065E-02 I X 7.4000 2.885E-02 I X 7.6000 1.677E-02 I X 7.8000 4.537E-03 IX 8.0000 -7.739E-03 X I 8.2000 -1.994E-02 X I 8.4000 -3.197E-02 X I 8.6000 -4.371E-02 X I 8.8000 -5.508E-02 X I 9.0000 -6.596E-02 X I 9.2000 -7.629E-02 X I 9.4000 -8.598E-02 X I 9.6000 -9.497E-02 X I 9.8000 -1.032E-01 X I 10.0000 -1.106E-01 X I 10.2500 -1.186E-01 X I 10.5000 -1.252E-01 X I 10.7500 -1.304E-01 X I 11.0000 -1.340E-01 X I 11.2500 -1.361E-01 X I 11.5000 -1.368E-01 X I 11.7500 -1.359E-01 X I 12.0000 -1.336E-01 X I 12.2500 -1.300E-01 X I 12.5000 -1.250E-01 X I 12.7500 -1.188E-01 X I 13.0000 -1.114E-01 X I 13.2500 -1.030E-01 X I 13.5000 -9.356E-02 X I 13.7500 -8.331E-02 X I 14.0000 -7.231E-02 X I 14.2500 -6.068E-02 X I 14.5000 -4.853E-02 X I 14.7500 -3.597E-02 X I 15.0000 -2.311E-02 X I 15.5000 3.057E-03 IX 16.0000 2.914E-02 I X 16.5000 5.435E-02 I X 17.0000 7.803E-02 I X 17.5000 9.958E-02 I X 18.0000 1.185E-01 I X 18.5000 1.345E-01 I X 19.0000 1.472E-01 I X 19.5000 1.565E-01 I X 20.0000 1.623E-01 I X 20.5000 1.646E-01 I X 21.0000 1.636E-01 I X 21.5000 1.593E-01 I X 22.0000 1.520E-01 I X 22.5000 1.420E-01 I X 23.0000 1.294E-01 I X 23.5000 1.147E-01 I X 24.0000 9.820E-02 I X 24.5000 8.015E-02 I X 25.0000 6.092E-02 I X 25.5000 4.082E-02 I X 26.0000 2.017E-02 I X 26.5000 -7.411E-04 X 27.0000 -2.165E-02 X I 27.5000 -4.230E-02 X I 28.0000 -6.247E-02 X I 28.5000 -8.197E-02 X I 29.0000 -1.006E-01 X I 29.5000 -1.183E-01 X I 30.0000 -1.348E-01 X I 31.0000 -1.643E-01 X I 32.0000 -1.884E-01 X I 33.0000 -2.071E-01 X I 34.0000 -2.205E-01 X I 35.0000 -2.288E-01 X I 36.0000 -2.324E-01 X I 37.0000 -2.320E-01 X I 38.0000 -2.281E-01 X I 39.0000 -2.213E-01 X I 40.0000 -2.122E-01 X I 41.0000 -2.013E-01 X I 42.0000 -1.891E-01 X I 43.0000 -1.762E-01 X I 44.0000 -1.629E-01 X I 45.0000 -1.495E-01 X I 46.0000 -1.363E-01 X I 47.0000 -1.234E-01 X I 48.0000 -1.112E-01 X I 49.0000 -9.959E-02 X I 50.0000 -8.877E-02 X I 52.0000 -6.954E-02 X I 54.0000 -5.356E-02 X I 56.0000 -4.063E-02 X I 58.0000 -3.040E-02 X I 60.0000 -2.247E-02 X I 62.0000 -1.642E-02 X I 64.0000 -1.187E-02 X I 66.0000 -8.502E-03 X I 68.0000 -6.036E-03 XI 70.0000 -4.249E-03 XI 72.0000 -2.969E-03 XI 0.0 0.0 0.0 0.0 a d8 10f d8 10f 153443.1 136443.1 FIXEDHF 17000.0 36 28.01 CONFIG=d8 10f d8 L=3 ELIM= 161648.800 N=10 E= 153443.100 E= -0.07477584 Z=2.0000 L=3.0000 STEP=-.0500 NUM= 15600 NSAVE=15600 IRREG=0 IFITER=99 NNODES= 6 NUMR 15385 NUMS 15385 NUML 15571 RS 10.805 RL 1.500 RMAX -1.00000000 RMIN 3.00000000 RSCALE 3.09000000 RMAX -1.00000000 RMIN 3.09000000 RSCALE 3.18270000 RMAX -1.00000000 RMIN 3.18270000 RSCALE 3.27818100 RMAX -1.00000000 RMIN 3.27818100 RSCALE 3.37652643 RMAX -1.00000000 RMIN 3.37652643 RSCALE 3.47782222 DEL -0.97887054 RSCALE 3.47782222 DEL -0.91211130 RSCALE 3.51191230 DEL -0.82544353 RSCALE 3.54633654 DEL -0.71068446 RSCALE 3.58109820 DEL -0.55417817 RSCALE 3.61620061 DEL -0.33132505 RSCALE 3.65164709 DEL 0.00710001 RSCALE 3.68744102 DEL -0.00172563 RSCALE 3.68669008 DEL -0.00000720 RSCALE 3.68683691 DEL 0.00000001 RSCALE 3.68683753 CNORM= 9.96407E-01 0.0500 8.087E-05 X 0.1000 9.195E-04 X 0.1500 3.318E-03 IX 0.2000 7.486E-03 I X 0.2500 1.305E-02 I X 0.3000 1.930E-02 I X 0.3500 2.542E-02 I X 0.4000 3.070E-02 I X 0.4500 3.458E-02 I X 0.5000 3.670E-02 I X 0.5500 3.691E-02 I X 0.6000 3.523E-02 I X 0.6500 3.181E-02 I X 0.7000 2.689E-02 I X 0.7500 2.078E-02 I X 0.8000 1.379E-02 I X 0.8500 6.256E-03 I X 0.9000 -1.510E-03 X 0.9500 -9.226E-03 X I 1.0000 -1.665E-02 X I 1.1000 -2.981E-02 X I 1.2000 -3.984E-02 X I 1.3000 -4.614E-02 X I 1.4000 -4.861E-02 X I 1.5000 -4.748E-02 X I 1.6000 -4.320E-02 X I 1.7000 -3.637E-02 X I 1.8000 -2.759E-02 X I 1.9000 -1.748E-02 X I 2.0000 -6.603E-03 X I 2.1000 4.539E-03 IX 2.2000 1.553E-02 I X 2.3000 2.601E-02 I X 2.4000 3.573E-02 I X 2.5000 4.447E-02 I X 2.6000 5.210E-02 I X 2.7000 5.853E-02 I X 2.8000 6.372E-02 I X 2.9000 6.766E-02 I X 3.0000 7.037E-02 I X 3.1000 7.189E-02 I X 3.2000 7.229E-02 I X 3.3000 7.162E-02 I X 3.4000 6.999E-02 I X 3.5000 6.746E-02 I X 3.6000 6.413E-02 I X 3.7000 6.008E-02 I X 3.8000 5.540E-02 I X 3.9000 5.017E-02 I X 4.0000 4.448E-02 I X 4.1000 3.839E-02 I X 4.2000 3.199E-02 I X 4.3000 2.534E-02 I X 4.4000 1.849E-02 I X 4.5000 1.152E-02 I X 4.6000 4.468E-03 IX 4.7000 -2.612E-03 XI 4.8000 -9.677E-03 X I 4.9000 -1.669E-02 X I 5.0000 -2.360E-02 X I 5.2000 -3.703E-02 X I 5.4000 -4.973E-02 X I 5.6000 -6.153E-02 X I 5.8000 -7.229E-02 X I 6.0000 -8.191E-02 X I 6.2000 -9.031E-02 X I 6.4000 -9.744E-02 X I 6.6000 -1.033E-01 X I 6.8000 -1.078E-01 X I 7.0000 -1.110E-01 X I 7.2000 -1.129E-01 X I 7.4000 -1.136E-01 X I 7.6000 -1.130E-01 X I 7.8000 -1.112E-01 X I 8.0000 -1.083E-01 X I 8.2000 -1.043E-01 X I 8.4000 -9.934E-02 X I 8.6000 -9.341E-02 X I 8.8000 -8.661E-02 X I 9.0000 -7.903E-02 X I 9.2000 -7.074E-02 X I 9.4000 -6.183E-02 X I 9.6000 -5.239E-02 X I 9.8000 -4.250E-02 X I 10.0000 -3.227E-02 X I 10.2500 -1.910E-02 X I 10.5000 -5.704E-03 XI 10.7500 7.768E-03 I X 11.0000 2.115E-02 I X 11.2500 3.428E-02 I X 11.5000 4.701E-02 I X 11.7500 5.920E-02 I X 12.0000 7.074E-02 I X 12.2500 8.150E-02 I X 12.5000 9.139E-02 I X 12.7500 1.003E-01 I X 13.0000 1.082E-01 I X 13.2500 1.150E-01 I X 13.5000 1.207E-01 I X 13.7500 1.252E-01 I X 14.0000 1.284E-01 I X 14.2500 1.305E-01 I X 14.5000 1.314E-01 I X 14.7500 1.312E-01 I X 15.0000 1.297E-01 I X 15.5000 1.235E-01 I X 16.0000 1.132E-01 I X 16.5000 9.923E-02 I X 17.0000 8.222E-02 I X 17.5000 6.277E-02 I X 18.0000 4.153E-02 I X 18.5000 1.913E-02 I X 19.0000 -3.775E-03 XI 19.5000 -2.659E-02 X I 20.0000 -4.875E-02 X I 20.5000 -6.976E-02 X I 21.0000 -8.917E-02 X I 21.5000 -1.066E-01 X I 22.0000 -1.218E-01 X I 22.5000 -1.345E-01 X I 23.0000 -1.445E-01 X I 23.5000 -1.517E-01 X I 24.0000 -1.562E-01 X I 24.5000 -1.579E-01 X I 25.0000 -1.569E-01 X I 25.5000 -1.533E-01 X I 26.0000 -1.473E-01 X I 26.5000 -1.390E-01 X I 27.0000 -1.287E-01 X I 27.5000 -1.165E-01 X I 28.0000 -1.028E-01 X I 28.5000 -8.765E-02 X I 29.0000 -7.142E-02 X I 29.5000 -5.432E-02 X I 30.0000 -3.658E-02 X I 31.0000 -6.460E-05 X 32.0000 3.647E-02 I X 33.0000 7.162E-02 I X 34.0000 1.043E-01 I X 35.0000 1.335E-01 I X 36.0000 1.589E-01 I X 37.0000 1.799E-01 I X 38.0000 1.966E-01 I X 39.0000 2.088E-01 I X 40.0000 2.170E-01 I X 41.0000 2.213E-01 I X 42.0000 2.221E-01 I X 43.0000 2.200E-01 I X 44.0000 2.152E-01 I X 45.0000 2.083E-01 I X 46.0000 1.997E-01 I X 47.0000 1.897E-01 I X 48.0000 1.789E-01 I X 49.0000 1.674E-01 I X 50.0000 1.557E-01 I X 52.0000 1.321E-01 I X 54.0000 1.097E-01 I X 56.0000 8.941E-02 I X 58.0000 7.164E-02 I X 60.0000 5.654E-02 I X 62.0000 4.402E-02 I X 64.0000 3.385E-02 I X 66.0000 2.573E-02 I X 68.0000 1.936E-02 I X 70.0000 1.443E-02 I X 72.0000 1.066E-02 I X 74.0000 7.806E-03 I X 76.0000 5.675E-03 IX 78.0000 4.096E-03 IX 80.0000 2.936E-03 IX 4.0 0.0 0.0 0.0 b d8 11f d8 11f 154213.0 137213.0 FIXEDHF 17000.0 37 28.01 CONFIG=d8 11f d8 L=3 ELIM= 161648.800 N=11 E= 154213.000 E= -0.06776000 Z=2.0000 L=3.0000 STEP=-.0500 NUM= 16600 NSAVE=16600 IRREG=0 IFITER=99 NNODES= 7 NUMR 16061 NUMS 16061 NUML 16571 RS 27.013 RL 1.500 RMAX -1.00000000 RMIN 4.00000000 RSCALE 4.12000000 RMAX -1.00000000 RMIN 4.12000000 RSCALE 4.24360000 DEL -0.92844906 RSCALE 4.24360000 DEL -0.86719824 RSCALE 4.28519634 DEL -0.79603229 RSCALE 4.32720040 DEL -0.71325979 RSCALE 4.36961620 DEL -0.61676378 RSCALE 4.41244777 DEL -0.50387161 RSCALE 4.45569917 DEL -0.37117406 RSCALE 4.49937453 DEL -0.21427009 RSCALE 4.54347800 DEL -0.02739937 RSCALE 4.58801378 DEL 0.00277838 RSCALE 4.59454371 DEL -0.00003216 RSCALE 4.59394252 DEL -0.00000004 RSCALE 4.59394940 DEL 0.00000000 RSCALE 4.59394941 CNORM= 9.94734E-01 0.0500 8.760E-05 X 0.1000 9.905E-04 X 0.1500 3.543E-03 IX 0.2000 7.894E-03 I X 0.2500 1.354E-02 I X 0.3000 1.962E-02 I X 0.3500 2.521E-02 I X 0.4000 2.953E-02 I X 0.4500 3.201E-02 I X 0.5000 3.238E-02 I X 0.5500 3.060E-02 I X 0.6000 2.684E-02 I X 0.6500 2.142E-02 I X 0.7000 1.472E-02 I X 0.7500 7.206E-03 I X 0.8000 -6.968E-04 X 0.8500 -8.569E-03 X I 0.9000 -1.604E-02 X I 0.9500 -2.282E-02 X I 1.0000 -2.866E-02 X I 1.1000 -3.690E-02 X I 1.2000 -4.012E-02 X I 1.3000 -3.845E-02 X I 1.4000 -3.259E-02 X I 1.5000 -2.353E-02 X I 1.6000 -1.238E-02 X I 1.7000 -2.395E-04 X 1.8000 1.194E-02 I X 1.9000 2.334E-02 I X 2.0000 3.337E-02 I X 2.1000 4.158E-02 I X 2.2000 4.772E-02 I X 2.3000 5.167E-02 I X 2.4000 5.344E-02 I X 2.5000 5.313E-02 I X 2.6000 5.091E-02 I X 2.7000 4.699E-02 I X 2.8000 4.161E-02 I X 2.9000 3.504E-02 I X 3.0000 2.752E-02 I X 3.1000 1.932E-02 I X 3.2000 1.066E-02 I X 3.3000 1.770E-03 X 3.4000 -7.159E-03 X I 3.5000 -1.595E-02 X I 3.6000 -2.446E-02 X I 3.7000 -3.256E-02 X I 3.8000 -4.014E-02 X I 3.9000 -4.712E-02 X I 4.0000 -5.343E-02 X I 4.1000 -5.902E-02 X I 4.2000 -6.387E-02 X I 4.3000 -6.795E-02 X I 4.4000 -7.125E-02 X I 4.5000 -7.379E-02 X I 4.6000 -7.557E-02 X I 4.7000 -7.661E-02 X I 4.8000 -7.693E-02 X I 4.9000 -7.658E-02 X I 5.0000 -7.557E-02 X I 5.2000 -7.177E-02 X I 5.4000 -6.584E-02 X I 5.6000 -5.812E-02 X I 5.8000 -4.894E-02 X I 6.0000 -3.863E-02 X I 6.2000 -2.748E-02 X I 6.4000 -1.578E-02 X I 6.6000 -3.775E-03 XI 6.8000 8.294E-03 I X 7.0000 2.023E-02 I X 7.2000 3.185E-02 I X 7.4000 4.300E-02 I X 7.6000 5.355E-02 I X 7.8000 6.339E-02 I X 8.0000 7.242E-02 I X 8.2000 8.056E-02 I X 8.4000 8.777E-02 I X 8.6000 9.399E-02 I X 8.8000 9.920E-02 I X 9.0000 1.034E-01 I X 9.2000 1.065E-01 I X 9.4000 1.086E-01 I X 9.6000 1.096E-01 I X 9.8000 1.096E-01 I X 10.0000 1.087E-01 I X 10.2500 1.061E-01 I X 10.5000 1.021E-01 I X 10.7500 9.685E-02 I X 11.0000 9.032E-02 I X 11.2500 8.267E-02 I X 11.5000 7.402E-02 I X 11.7500 6.449E-02 I X 12.0000 5.422E-02 I X 12.2500 4.332E-02 I X 12.5000 3.194E-02 I X 12.7500 2.021E-02 I X 13.0000 8.265E-03 I X 13.2500 -3.770E-03 XI 13.5000 -1.577E-02 X I 13.7500 -2.760E-02 X I 14.0000 -3.916E-02 X I 14.2500 -5.034E-02 X I 14.5000 -6.104E-02 X I 14.7500 -7.116E-02 X I 15.0000 -8.062E-02 X I 15.5000 -9.728E-02 X I 16.0000 -1.105E-01 X I 16.5000 -1.201E-01 X I 17.0000 -1.257E-01 X I 17.5000 -1.274E-01 X I 18.0000 -1.252E-01 X I 18.5000 -1.193E-01 X I 19.0000 -1.101E-01 X I 19.5000 -9.784E-02 X I 20.0000 -8.301E-02 X I 20.5000 -6.607E-02 X I 21.0000 -4.749E-02 X I 21.5000 -2.777E-02 X I 22.0000 -7.419E-03 X I 22.5000 1.310E-02 I X 23.0000 3.335E-02 I X 23.5000 5.290E-02 I X 24.0000 7.139E-02 I X 24.5000 8.848E-02 I X 25.0000 1.039E-01 I X 25.5000 1.175E-01 I X 26.0000 1.289E-01 I X 26.5000 1.382E-01 I X 27.0000 1.452E-01 I X 27.5000 1.499E-01 I X 28.0000 1.522E-01 I X 28.5000 1.523E-01 I X 29.0000 1.502E-01 I X 29.5000 1.460E-01 I X 30.0000 1.398E-01 I X 31.0000 1.221E-01 I X 32.0000 9.851E-02 I X 33.0000 7.041E-02 I X 34.0000 3.932E-02 I X 35.0000 6.661E-03 I X 36.0000 -2.626E-02 X I 37.0000 -5.829E-02 X I 38.0000 -8.850E-02 X I 39.0000 -1.162E-01 X I 40.0000 -1.407E-01 X I 41.0000 -1.618E-01 X I 42.0000 -1.792E-01 X I 43.0000 -1.929E-01 X I 44.0000 -2.030E-01 X I 45.0000 -2.097E-01 X I 46.0000 -2.132E-01 X I 47.0000 -2.138E-01 X I 48.0000 -2.118E-01 X I 49.0000 -2.077E-01 X I 50.0000 -2.017E-01 X I 52.0000 -1.856E-01 X I 54.0000 -1.659E-01 X I 56.0000 -1.447E-01 X I 58.0000 -1.236E-01 X I 60.0000 -1.036E-01 X I 62.0000 -8.541E-02 X I 64.0000 -6.937E-02 X I 66.0000 -5.560E-02 X I 68.0000 -4.401E-02 X I 70.0000 -3.446E-02 X I 72.0000 -2.670E-02 X I 74.0000 -2.050E-02 X I 76.0000 -1.560E-02 X I 78.0000 -1.177E-02 X I 80.0000 -8.816E-03 X I 82.0000 -6.556E-03 X I 84.0000 -4.843E-03 XI 86.0000 -3.556E-03 XI 88.0000 -2.595E-03 XI 5.0 0.0 0.0 0.0 c d8 12f d8 12f 154798.7 137798.7 FIXEDHF 17000.0 38 28.01 CONFIG=d8 12f d8 L=3 ELIM= 161648.800 N=12 E= 154798.700 E= -0.06242271 Z=2.0000 L=3.0000 STEP=-.0500 NUM= 17400 NSAVE=17400 IRREG=0 IFITER=99 NNODES= 8 NUMR 16861 NUMS 16861 NUML 17371 RS 27.013 RL 1.500 RMAX -1.00000000 RMIN 5.00000000 RSCALE 5.15000000 RMAX -1.00000000 RMIN 5.15000000 RSCALE 5.30450000 RMAX -1.00000000 RMIN 5.30450000 RSCALE 5.46363500 RMAX -1.00000000 RMIN 5.46363500 RSCALE 5.62754405 RMAX -1.00000000 RMIN 5.62754405 RSCALE 5.79637037 RMAX 5.79637037 RMIN 5.62754405 RSCALE 5.71195721 DEL 12.06001308 RSCALE 5.71195721 RMAX 5.79637037 RMIN 5.65651133 RSCALE 5.71195721 DEL 12.05998167 RSCALE 5.71195721 DEL 12.05997630 RSCALE 5.71195721 DEL 11.75834430 RSCALE 5.71224172 DEL 5.10830494 RSCALE 5.72333241 DEL 2.88525898 RSCALE 5.73185185 DEL 1.23222165 RSCALE 5.74290911 DEL 0.43884939 RSCALE 5.75115151 DEL 0.09537102 RSCALE 5.75571075 DEL 0.00921346 RSCALE 5.75697668 DEL 0.00021342 RSCALE 5.75711205 DEL 0.00000049 RSCALE 5.75711526 DEL 0.00000000 RSCALE 5.75711527 CNORM= 9.93255E-01 0.0500 9.302E-05 X 0.1000 1.047E-03 X 0.1500 3.715E-03 IX 0.2000 8.189E-03 I X 0.2500 1.384E-02 I X 0.3000 1.969E-02 I X 0.3500 2.472E-02 I X 0.4000 2.810E-02 I X 0.4500 2.932E-02 I X 0.5000 2.819E-02 I X 0.5500 2.482E-02 I X 0.6000 1.952E-02 I X 0.6500 1.278E-02 I X 0.7000 5.129E-03 IX 0.7500 -2.868E-03 XI 0.8000 -1.069E-02 X I 0.8500 -1.788E-02 X I 0.9000 -2.407E-02 X I 0.9500 -2.898E-02 X I 1.0000 -3.246E-02 X I 1.1000 -3.480E-02 X I 1.2000 -3.134E-02 X I 1.3000 -2.315E-02 X I 1.4000 -1.181E-02 X I 1.5000 9.972E-04 X 1.6000 1.372E-02 I X 1.7000 2.507E-02 I X 1.8000 3.413E-02 I X 1.9000 4.033E-02 I X 2.0000 4.341E-02 I X 2.1000 4.340E-02 I X 2.2000 4.054E-02 I X 2.3000 3.522E-02 I X 2.4000 2.791E-02 I X 2.5000 1.915E-02 I X 2.6000 9.447E-03 I X 2.7000 -6.840E-04 X 2.8000 -1.079E-02 X I 2.9000 -2.048E-02 X I 3.0000 -2.941E-02 X I 3.1000 -3.734E-02 X I 3.2000 -4.405E-02 X I 3.3000 -4.943E-02 X I 3.4000 -5.339E-02 X I 3.5000 -5.592E-02 X I 3.6000 -5.702E-02 X I 3.7000 -5.675E-02 X I 3.8000 -5.518E-02 X I 3.9000 -5.244E-02 X I 4.0000 -4.862E-02 X I 4.1000 -4.387E-02 X I 4.2000 -3.831E-02 X I 4.3000 -3.208E-02 X I 4.4000 -2.532E-02 X I 4.5000 -1.816E-02 X I 4.6000 -1.073E-02 X I 4.7000 -3.148E-03 XI 4.8000 4.481E-03 IX 4.9000 1.205E-02 I X 5.0000 1.947E-02 I X 5.2000 3.356E-02 I X 5.4000 4.619E-02 I X 5.6000 5.698E-02 I X 5.8000 6.568E-02 I X 6.0000 7.215E-02 I X 6.2000 7.635E-02 I X 6.4000 7.832E-02 I X 6.6000 7.816E-02 I X 6.8000 7.602E-02 I X 7.0000 7.207E-02 I X 7.2000 6.651E-02 I X 7.4000 5.957E-02 I X 7.6000 5.145E-02 I X 7.8000 4.238E-02 I X 8.0000 3.257E-02 I X 8.2000 2.221E-02 I X 8.4000 1.150E-02 I X 8.6000 6.185E-04 X 8.8000 -1.027E-02 X I 9.0000 -2.103E-02 X I 9.2000 -3.151E-02 X I 9.4000 -4.160E-02 X I 9.6000 -5.119E-02 X I 9.8000 -6.020E-02 X I 10.0000 -6.854E-02 X I 10.2500 -7.794E-02 X I 10.5000 -8.609E-02 X I 10.7500 -9.294E-02 X I 11.0000 -9.842E-02 X I 11.2500 -1.025E-01 X I 11.5000 -1.052E-01 X I 11.7500 -1.065E-01 X I 12.0000 -1.064E-01 X I 12.2500 -1.051E-01 X I 12.5000 -1.024E-01 X I 12.7500 -9.859E-02 X I 13.0000 -9.363E-02 X I 13.2500 -8.762E-02 X I 13.5000 -8.066E-02 X I 13.7500 -7.284E-02 X I 14.0000 -6.427E-02 X I 14.2500 -5.504E-02 X I 14.5000 -4.526E-02 X I 14.7500 -3.503E-02 X I 15.0000 -2.447E-02 X I 15.5000 -2.762E-03 XI 16.0000 1.905E-02 I X 16.5000 4.020E-02 I X 17.0000 5.999E-02 I X 17.5000 7.783E-02 I X 18.0000 9.320E-02 I X 18.5000 1.057E-01 I X 19.0000 1.151E-01 I X 19.5000 1.212E-01 I X 20.0000 1.239E-01 I X 20.5000 1.233E-01 I X 21.0000 1.195E-01 I X 21.5000 1.127E-01 I X 22.0000 1.032E-01 I X 22.5000 9.119E-02 I X 23.0000 7.712E-02 I X 23.5000 6.133E-02 I X 24.0000 4.422E-02 I X 24.5000 2.619E-02 I X 25.0000 7.628E-03 I X 25.5000 -1.108E-02 X I 26.0000 -2.959E-02 X I 26.5000 -4.755E-02 X I 27.0000 -6.466E-02 X I 27.5000 -8.066E-02 X I 28.0000 -9.531E-02 X I 28.5000 -1.084E-01 X I 29.0000 -1.198E-01 X I 29.5000 -1.294E-01 X I 30.0000 -1.370E-01 X I 31.0000 -1.463E-01 X I 32.0000 -1.478E-01 X I 33.0000 -1.418E-01 X I 34.0000 -1.290E-01 X I 35.0000 -1.105E-01 X I 36.0000 -8.729E-02 X I 37.0000 -6.066E-02 X I 38.0000 -3.179E-02 X I 39.0000 -1.807E-03 X 40.0000 2.824E-02 I X 41.0000 5.746E-02 I X 42.0000 8.507E-02 I X 43.0000 1.105E-01 I X 44.0000 1.333E-01 I X 45.0000 1.531E-01 I X 46.0000 1.697E-01 I X 47.0000 1.832E-01 I X 48.0000 1.935E-01 I X 49.0000 2.008E-01 I X 50.0000 2.053E-01 I X 52.0000 2.066E-01 I X 54.0000 1.995E-01 I X 56.0000 1.865E-01 I X 58.0000 1.695E-01 I X 60.0000 1.506E-01 I X 62.0000 1.310E-01 I X 64.0000 1.119E-01 I X 66.0000 9.412E-02 I X 68.0000 7.802E-02 I X 70.0000 6.383E-02 I X 72.0000 5.161E-02 I X 74.0000 4.128E-02 I X 76.0000 3.269E-02 I X 78.0000 2.564E-02 I X 80.0000 1.995E-02 I X 82.0000 1.539E-02 I X 84.0000 1.179E-02 I X 86.0000 8.970E-03 I X 88.0000 6.779E-03 I X 90.0000 5.091E-03 IX 92.0000 3.802E-03 IX 94.0000 2.823E-03 IX 96.0000 2.086E-03 IX 6.0 0.0 0.0 0.0 d d8 13f d8 13f 155253.6 138253.6 FIXEDHF 17000.0 39 28.01 CONFIG=d8 13f d8 L=3 ELIM= 161648.800 N=13 E= 155253.600 E= -0.05827735 Z=2.0000 L=3.0000 STEP=-.0500 NUM= 18100 NSAVE=18100 IRREG=0 IFITER=99 NNODES= 9 NUMR 17561 NUMS 17561 NUML 18071 RS 27.013 RL 1.500 RMAX -1.00000000 RMIN 6.00000000 RSCALE 6.18000000 RMAX -1.00000000 RMIN 6.18000000 RSCALE 6.36540000 DEL 37.67872874 RSCALE 6.36540000 DEL 185.94889549 RSCALE 6.30361116 DEL 37.67741063 RSCALE 6.36540000 DEL 30.63248625 RSCALE 6.38110122 DEL 16.58746891 RSCALE 6.44364963 DEL 10.58354657 RSCALE 6.50681115 DEL 7.29448744 RSCALE 6.57059178 DEL 5.23957143 RSCALE 6.63499760 DEL 3.84527438 RSCALE 6.70003474 DEL 2.84356282 RSCALE 6.76570938 DEL 2.09280103 RSCALE 6.83202777 DEL 1.51132021 RSCALE 6.89899622 DEL 1.04883958 RSCALE 6.96662111 DEL 0.67277369 RSCALE 7.03490886 DEL 0.36110948 RSCALE 7.10386598 DEL 0.09845179 RSCALE 7.17349903 DEL 0.01083302 RSCALE 7.19959953 DEL 0.00036135 RSCALE 7.20282655 DEL 0.00000137 RSCALE 7.20293790 DEL 0.00000000 RSCALE 7.20293832 CNORM= 9.91438E-01 0.0500 9.688E-05 X 0.1000 1.086E-03 X 0.1500 3.829E-03 IX 0.2000 8.363E-03 I X 0.2500 1.396E-02 I X 0.3000 1.954E-02 I X 0.3500 2.402E-02 I X 0.4000 2.657E-02 I X 0.4500 2.674E-02 I X 0.5000 2.442E-02 I X 0.5500 1.988E-02 I X 0.6000 1.357E-02 I X 0.6500 6.101E-03 I X 0.7000 -1.865E-03 XI 0.7500 -9.693E-03 X I 0.8000 -1.682E-02 X I 0.8500 -2.280E-02 X I 0.9000 -2.730E-02 X I 0.9500 -3.013E-02 X I 1.0000 -3.120E-02 X I 1.1000 -2.831E-02 X I 1.2000 -1.986E-02 X I 1.3000 -7.855E-03 X I 1.4000 5.443E-03 IX 1.5000 1.798E-02 I X 1.6000 2.814E-02 I X 1.7000 3.487E-02 I X 1.8000 3.771E-02 I X 1.9000 3.665E-02 I X 2.0000 3.210E-02 I X 2.1000 2.470E-02 I X 2.2000 1.528E-02 I X 2.3000 4.688E-03 IX 2.4000 -6.246E-03 X I 2.5000 -1.678E-02 X I 2.6000 -2.628E-02 X I 2.7000 -3.427E-02 X I 2.8000 -4.041E-02 X I 2.9000 -4.449E-02 X I 3.0000 -4.645E-02 X I 3.1000 -4.632E-02 X I 3.2000 -4.422E-02 X I 3.3000 -4.035E-02 X I 3.4000 -3.495E-02 X I 3.5000 -2.830E-02 X I 3.6000 -2.069E-02 X I 3.7000 -1.241E-02 X I 3.8000 -3.748E-03 XI 3.9000 5.024E-03 IX 4.0000 1.366E-02 I X 4.1000 2.194E-02 I X 4.2000 2.967E-02 I X 4.3000 3.670E-02 I X 4.4000 4.290E-02 I X 4.5000 4.818E-02 I X 4.6000 5.246E-02 I X 4.7000 5.570E-02 I X 4.8000 5.790E-02 I X 4.9000 5.904E-02 I X 5.0000 5.917E-02 I X 5.2000 5.653E-02 I X 5.4000 5.045E-02 I X 5.6000 4.154E-02 I X 5.8000 3.046E-02 I X 6.0000 1.792E-02 I X 6.2000 4.564E-03 IX 6.4000 -8.985E-03 X I 6.6000 -2.219E-02 X I 6.8000 -3.461E-02 X I 7.0000 -4.585E-02 X I 7.2000 -5.566E-02 X I 7.4000 -6.381E-02 X I 7.6000 -7.020E-02 X I 7.8000 -7.474E-02 X I 8.0000 -7.743E-02 X I 8.2000 -7.832E-02 X I 8.4000 -7.748E-02 X I 8.6000 -7.502E-02 X I 8.8000 -7.107E-02 X I 9.0000 -6.579E-02 X I 9.2000 -5.933E-02 X I 9.4000 -5.186E-02 X I 9.6000 -4.354E-02 X I 9.8000 -3.455E-02 X I 10.0000 -2.505E-02 X I 10.2500 -1.269E-02 X I 10.5000 -6.594E-05 X 10.7500 1.257E-02 I X 11.0000 2.496E-02 I X 11.2500 3.691E-02 I X 11.5000 4.822E-02 I X 11.7500 5.874E-02 I X 12.0000 6.833E-02 I X 12.2500 7.689E-02 I X 12.5000 8.433E-02 I X 12.7500 9.060E-02 I X 13.0000 9.564E-02 I X 13.2500 9.944E-02 I X 13.5000 1.020E-01 I X 13.7500 1.033E-01 I X 14.0000 1.034E-01 I X 14.2500 1.023E-01 I X 14.5000 1.001E-01 I X 14.7500 9.675E-02 I X 15.0000 9.243E-02 I X 15.5000 8.102E-02 I X 16.0000 6.646E-02 I X 16.5000 4.942E-02 I X 17.0000 3.063E-02 I X 17.5000 1.078E-02 I X 18.0000 -9.424E-03 X I 18.5000 -2.933E-02 X I 19.0000 -4.835E-02 X I 19.5000 -6.593E-02 X I 20.0000 -8.162E-02 X I 20.5000 -9.503E-02 X I 21.0000 -1.059E-01 X I 21.5000 -1.140E-01 X I 22.0000 -1.191E-01 X I 22.5000 -1.214E-01 X I 23.0000 -1.207E-01 X I 23.5000 -1.173E-01 X I 24.0000 -1.112E-01 X I 24.5000 -1.027E-01 X I 25.0000 -9.196E-02 X I 25.5000 -7.936E-02 X I 26.0000 -6.518E-02 X I 26.5000 -4.972E-02 X I 27.0000 -3.333E-02 X I 27.5000 -1.632E-02 X I 28.0000 9.788E-04 X 28.5000 1.826E-02 I X 29.0000 3.524E-02 I X 29.5000 5.164E-02 I X 30.0000 6.723E-02 I X 31.0000 9.511E-02 I X 32.0000 1.175E-01 I X 33.0000 1.334E-01 I X 34.0000 1.425E-01 I X 35.0000 1.446E-01 I X 36.0000 1.400E-01 I X 37.0000 1.294E-01 I X 38.0000 1.135E-01 I X 39.0000 9.315E-02 I X 40.0000 6.944E-02 I X 41.0000 4.335E-02 I X 42.0000 1.586E-02 I X 43.0000 -1.212E-02 X I 44.0000 -3.976E-02 X I 45.0000 -6.636E-02 X I 46.0000 -9.133E-02 X I 47.0000 -1.142E-01 X I 48.0000 -1.347E-01 X I 49.0000 -1.524E-01 X I 50.0000 -1.674E-01 X I 52.0000 -1.890E-01 X I 54.0000 -1.999E-01 X I 56.0000 -2.014E-01 X I 58.0000 -1.955E-01 X I 60.0000 -1.840E-01 X I 62.0000 -1.687E-01 X I 64.0000 -1.513E-01 X I 66.0000 -1.332E-01 X I 68.0000 -1.152E-01 X I 70.0000 -9.811E-02 X I 72.0000 -8.243E-02 X I 74.0000 -6.841E-02 X I 76.0000 -5.612E-02 X I 78.0000 -4.557E-02 X I 80.0000 -3.665E-02 X I 82.0000 -2.921E-02 X I 84.0000 -2.309E-02 X I 86.0000 -1.811E-02 X I 88.0000 -1.411E-02 X I 90.0000 -1.091E-02 X I 92.0000 -8.387E-03 X I 94.0000 -6.408E-03 X I 96.0000 -4.869E-03 XI 98.0000 -3.679E-03 XI 100.0000 -2.766E-03 XI 102.0000 -2.070E-03 XI HF 2.0 0.0 0.0 0.0 e d7 4s4f d7 4s 4f 198867.6 171867.6 FIXEDHF 27000.0 40 28.01 CONFIG=d7 4s4f d7 4s L=3 ELIM= 200236.500 N= 4 E= 171867.600HF E= -0.25851645 Z=2.0000 L=3.0000 STEP=-.0500 NUM= 7800 NSAVE= 7800 IRREG=0 IFITER=99 NNODES= 0 NUMR 7261 NUMS 7261 NUML 7771 RS 27.013 RL 1.500 RMAX 2.00000000 RMIN -1.00000000 RSCALE 1.94174757 RMAX 1.94174757 RMIN -1.00000000 RSCALE 1.88519182 RMAX 1.88519182 RMIN -1.00000000 RSCALE 1.83028332 DEL -0.88824755 RSCALE 1.83028332 DEL -0.96000220 RSCALE 1.84822400 DEL -0.88824719 RSCALE 1.83028332 DEL -0.79973527 RSCALE 1.81251679 DEL -0.69102732 RSCALE 1.79492271 DEL -0.55722717 RSCALE 1.77749943 DEL -0.39126607 RSCALE 1.76024527 DEL -0.18268313 RSCALE 1.74315859 DEL 0.04981329 RSCALE 1.72819358 DEL -0.00476871 RSCALE 1.73139989 DEL -0.00011316 RSCALE 1.73111976 DEL 0.00000027 RSCALE 1.73111295 DEL 0.00000000 RSCALE 1.73111297 CNORM= 1.05525E+00 0.0500 2.329E-05 X 0.1000 2.723E-04 X 0.1500 1.026E-03 X 0.2000 2.451E-03 X 0.2500 4.586E-03 IX 0.3000 7.378E-03 IX 0.3500 1.072E-02 I X 0.4000 1.450E-02 I X 0.4500 1.859E-02 I X 0.5000 2.287E-02 I X 0.5500 2.725E-02 I X 0.6000 3.166E-02 I X 0.6500 3.602E-02 I X 0.7000 4.030E-02 I X 0.7500 4.445E-02 I X 0.8000 4.847E-02 I X 0.8500 5.233E-02 I X 0.9000 5.603E-02 I X 0.9500 5.958E-02 I X 1.0000 6.296E-02 I X 1.1000 6.928E-02 I X 1.2000 7.508E-02 I X 1.3000 8.045E-02 I X 1.4000 8.547E-02 I X 1.5000 9.023E-02 I X 1.6000 9.481E-02 I X 1.7000 9.929E-02 I X 1.8000 1.037E-01 I X 1.9000 1.082E-01 I X 2.0000 1.126E-01 I X 2.1000 1.172E-01 I X 2.2000 1.219E-01 I X 2.3000 1.267E-01 I X 2.4000 1.316E-01 I X 2.5000 1.367E-01 I X 2.6000 1.420E-01 I X 2.7000 1.474E-01 I X 2.8000 1.530E-01 I X 2.9000 1.588E-01 I X 3.0000 1.647E-01 I X 3.1000 1.708E-01 I X 3.2000 1.771E-01 I X 3.3000 1.834E-01 I X 3.4000 1.899E-01 I X 3.5000 1.965E-01 I X 3.6000 2.032E-01 I X 3.7000 2.100E-01 I X 3.8000 2.168E-01 I X 3.9000 2.236E-01 I X 4.0000 2.305E-01 I X 4.1000 2.374E-01 I X 4.2000 2.442E-01 I X 4.3000 2.510E-01 I X 4.4000 2.578E-01 I X 4.5000 2.644E-01 I X 4.6000 2.710E-01 I X 4.7000 2.774E-01 I X 4.8000 2.838E-01 I X 4.9000 2.899E-01 I X 5.0000 2.959E-01 I X 5.2000 3.073E-01 I X 5.4000 3.179E-01 I X 5.6000 3.276E-01 I X 5.8000 3.363E-01 I X 6.0000 3.441E-01 I X 6.2000 3.508E-01 I X 6.4000 3.565E-01 I X 6.6000 3.611E-01 I X 6.8000 3.647E-01 I X 7.0000 3.672E-01 I X 7.2000 3.688E-01 I X 7.4000 3.694E-01 I X 7.6000 3.690E-01 I X 7.8000 3.678E-01 I X 8.0000 3.657E-01 I X 8.2000 3.629E-01 I X 8.4000 3.593E-01 I X 8.6000 3.550E-01 I X 8.8000 3.501E-01 I X 9.0000 3.446E-01 I X 9.2000 3.386E-01 I X 9.4000 3.322E-01 I X 9.6000 3.253E-01 I X 9.8000 3.180E-01 I X 10.0000 3.105E-01 I X 10.2500 3.007E-01 I X 10.5000 2.905E-01 I X 10.7500 2.801E-01 I X 11.0000 2.695E-01 I X 11.2500 2.589E-01 I X 11.5000 2.482E-01 I X 11.7500 2.375E-01 I X 12.0000 2.269E-01 I X 12.2500 2.164E-01 I X 12.5000 2.061E-01 I X 12.7500 1.959E-01 I X 13.0000 1.860E-01 I X 13.2500 1.764E-01 I X 13.5000 1.670E-01 I X 13.7500 1.579E-01 I X 14.0000 1.491E-01 I X 14.2500 1.407E-01 I X 14.5000 1.326E-01 I X 14.7500 1.247E-01 I X 15.0000 1.173E-01 I X 15.5000 1.033E-01 I X 16.0000 9.065E-02 I X 16.5000 7.925E-02 I X 17.0000 6.903E-02 I X 17.5000 5.994E-02 I X 18.0000 5.188E-02 I X 18.5000 4.477E-02 I X 19.0000 3.852E-02 I X 19.5000 3.306E-02 I X 20.0000 2.830E-02 I X 20.5000 2.417E-02 I X 21.0000 2.059E-02 I X 21.5000 1.751E-02 I X 22.0000 1.485E-02 I X 22.5000 1.257E-02 I X 23.0000 1.063E-02 I X 23.5000 8.964E-03 IX 24.0000 7.548E-03 IX 24.5000 6.345E-03 IX 25.0000 5.325E-03 IX 25.5000 4.462E-03 IX 26.0000 3.734E-03 IX 0.0 0.0 0.0 0.0 f d7 4s5f d7 4s 5f 209189.7 182189.7 FIXEDHF 27000.0 41 28.01 CONFIG=d7 4s5f d7 4s L=3 ELIM= 229263.300 N= 5 E= 209189.700 E= -0.18292411 Z=2.0000 L=3.0000 STEP=-.0500 NUM= 9500 NSAVE= 9500 IRREG=0 IFITER=99 NNODES= 1 NUMR 9285 NUMS 9285 NUML 9471 RS 10.805 RL 1.500 P0 0.00000000 RSCALE 2.91262136 R 2.32500000 P0 0.00000000 RSCALE 2.82778773 R 2.22500000 P0 0.00000000 RSCALE 2.74542498 R 2.12500000 P0 0.00000000 RSCALE 2.66546114 R 2.02500000 P0 0.00000000 RSCALE 2.58782635 R 1.92500000 P0 0.00000000 RSCALE 2.51245277 R 1.82500000 P0 0.00000000 RSCALE 2.43927453 R 1.72500000 P0 0.00000000 RSCALE 2.36822770 R 1.60000000 P0 0.00000000 RSCALE 2.29925020 R 1.50000000 RMAX 2.29925020 RMIN -1.00000000 RSCALE 2.23228174 RMAX 2.23228174 RMIN -1.00000000 RSCALE 2.16726383 RMAX 2.16726383 RMIN -1.00000000 RSCALE 2.10413964 RMAX 2.10413964 RMIN -1.00000000 RSCALE 2.04285402 RMAX 2.04285402 RMIN -1.00000000 RSCALE 1.98335342 RMAX 1.98335342 RMIN -1.00000000 RSCALE 1.92558584 RMAX 1.92558584 RMIN -1.00000000 RSCALE 1.86950082 RMAX 1.86950082 RMIN -1.00000000 RSCALE 1.81504934 DEL -0.20115492 RSCALE 1.81504934 DEL -0.68895751 RSCALE 1.83284069 DEL -0.20115492 RSCALE 1.81504934 DEL 0.07697144 RSCALE 1.80771272 DEL -0.00607118 RSCALE 1.80974313 DEL -0.00017044 RSCALE 1.80959469 DEL 0.00000039 RSCALE 1.80959040 DEL 0.00000000 RSCALE 1.80959041 CNORM= 1.08065E+00 0.0500 8.488E-05 X 0.1000 9.904E-04 X 0.1500 3.719E-03 IX 0.2000 8.850E-03 I X 0.2500 1.648E-02 I X 0.3000 2.636E-02 I X 0.3500 3.808E-02 I X 0.4000 5.114E-02 I X 0.4500 6.507E-02 I X 0.5000 7.942E-02 I X 0.5500 9.383E-02 I X 0.6000 1.080E-01 I X 0.6500 1.217E-01 I X 0.7000 1.348E-01 I X 0.7500 1.472E-01 I X 0.8000 1.587E-01 I X 0.8500 1.694E-01 I X 0.9000 1.792E-01 I X 0.9500 1.882E-01 I X 1.0000 1.964E-01 I X 1.1000 2.104E-01 I X 1.2000 2.216E-01 I X 1.3000 2.304E-01 I X 1.4000 2.372E-01 I X 1.5000 2.423E-01 I X 1.6000 2.460E-01 I X 1.7000 2.487E-01 I X 1.8000 2.506E-01 I X 1.9000 2.517E-01 I X 2.0000 2.524E-01 I X 2.1000 2.526E-01 I X 2.2000 2.526E-01 I X 2.3000 2.523E-01 I X 2.4000 2.519E-01 I X 2.5000 2.514E-01 I X 2.6000 2.507E-01 I X 2.7000 2.500E-01 I X 2.8000 2.492E-01 I X 2.9000 2.484E-01 I X 3.0000 2.475E-01 I X 3.1000 2.465E-01 I X 3.2000 2.455E-01 I X 3.3000 2.444E-01 I X 3.4000 2.432E-01 I X 3.5000 2.419E-01 I X 3.6000 2.405E-01 I X 3.7000 2.389E-01 I X 3.8000 2.372E-01 I X 3.9000 2.353E-01 I X 4.0000 2.333E-01 I X 4.1000 2.310E-01 I X 4.2000 2.285E-01 I X 4.3000 2.258E-01 I X 4.4000 2.229E-01 I X 4.5000 2.197E-01 I X 4.6000 2.163E-01 I X 4.7000 2.126E-01 I X 4.8000 2.087E-01 I X 4.9000 2.045E-01 I X 5.0000 2.000E-01 I X 5.2000 1.902E-01 I X 5.4000 1.793E-01 I X 5.6000 1.673E-01 I X 5.8000 1.544E-01 I X 6.0000 1.405E-01 I X 6.2000 1.258E-01 I X 6.4000 1.104E-01 I X 6.6000 9.427E-02 I X 6.8000 7.760E-02 I X 7.0000 6.047E-02 I X 7.2000 4.300E-02 I X 7.4000 2.529E-02 I X 7.6000 7.432E-03 IX 7.8000 -1.046E-02 X I 8.0000 -2.830E-02 X I 8.2000 -4.600E-02 X I 8.4000 -6.346E-02 X I 8.6000 -8.061E-02 X I 8.8000 -9.737E-02 X I 9.0000 -1.137E-01 X I 9.2000 -1.295E-01 X I 9.4000 -1.447E-01 X I 9.6000 -1.593E-01 X I 9.8000 -1.733E-01 X I 10.0000 -1.865E-01 X I 10.2500 -2.021E-01 X I 10.5000 -2.164E-01 X I 10.7500 -2.296E-01 X I 11.0000 -2.415E-01 X I 11.2500 -2.522E-01 X I 11.5000 -2.617E-01 X I 11.7500 -2.700E-01 X I 12.0000 -2.771E-01 X I 12.2500 -2.830E-01 X I 12.5000 -2.878E-01 X I 12.7500 -2.915E-01 X I 13.0000 -2.942E-01 X I 13.2500 -2.959E-01 X I 13.5000 -2.966E-01 X I 13.7500 -2.965E-01 X I 14.0000 -2.956E-01 X I 14.2500 -2.938E-01 X I 14.5000 -2.914E-01 X I 14.7500 -2.883E-01 X I 15.0000 -2.846E-01 X I 15.5000 -2.757E-01 X I 16.0000 -2.650E-01 X I 16.5000 -2.530E-01 X I 17.0000 -2.400E-01 X I 17.5000 -2.264E-01 X I 18.0000 -2.124E-01 X I 18.5000 -1.982E-01 X I 19.0000 -1.842E-01 X I 19.5000 -1.704E-01 X I 20.0000 -1.570E-01 X I 20.5000 -1.441E-01 X I 21.0000 -1.318E-01 X I 21.5000 -1.201E-01 X I 22.0000 -1.091E-01 X I 22.5000 -9.884E-02 X I 23.0000 -8.927E-02 X I 23.5000 -8.042E-02 X I 24.0000 -7.225E-02 X I 24.5000 -6.476E-02 X I 25.0000 -5.790E-02 X I 25.5000 -5.166E-02 X I 26.0000 -4.599E-02 X I 26.5000 -4.086E-02 X I 27.0000 -3.623E-02 X I 27.5000 -3.207E-02 X I 28.0000 -2.833E-02 X I 28.5000 -2.498E-02 X I 29.0000 -2.200E-02 X I 29.5000 -1.934E-02 X I 30.0000 -1.697E-02 X I 31.0000 -1.302E-02 X I 32.0000 -9.928E-03 X I 33.0000 -7.533E-03 XI 34.0000 -5.689E-03 XI 35.0000 -4.276E-03 XI 36.0000 -3.201E-03 XI 0.0 0.0 0.0 0.0 g d7 4s6f d7 4s 6f 214760.2 187760.2 FIXEDHF 27000.0 42 28.01 CONFIG=d7 4s6f d7 4s L=3 ELIM= 229263.300 N= 6 E= 214760.200 E= -0.13216198 Z=2.0000 L=3.0000 STEP=-.0500 NUM= 11400 NSAVE=11400 IRREG=0 IFITER=99 NNODES= 2 NUMR 11185 NUMS 11185 NUML 11371 RS 10.805 RL 1.500 P0 0.00000000 RSCALE 2.91262136 R 1.95000000 P0 0.00000000 RSCALE 2.82778773 R 1.87500000 P0 0.00000000 RSCALE 2.74542498 R 1.80000000 P0 0.00000000 RSCALE 2.66546114 R 1.72500000 P0 0.00000000 RSCALE 2.58782635 R 1.62500000 P0 0.00000000 RSCALE 2.51245277 R 1.55000000 RMAX 2.51245277 RMIN -1.00000000 RSCALE 2.43927453 RMAX 2.43927453 RMIN -1.00000000 RSCALE 2.36822770 RMAX 2.36822770 RMIN -1.00000000 RSCALE 2.29925020 RMAX 2.29925020 RMIN -1.00000000 RSCALE 2.23228174 RMAX 2.23228174 RMIN -1.00000000 RSCALE 2.16726383 RMAX 2.16726383 RMIN -1.00000000 RSCALE 2.10413964 RMAX 2.10413964 RMIN -1.00000000 RSCALE 2.04285402 RMAX 2.04285402 RMIN -1.00000000 RSCALE 1.98335342 RMAX 1.98335342 RMIN -1.00000000 RSCALE 1.92558584 RMAX 1.92558584 RMIN -1.00000000 RSCALE 1.86950082 RMAX 1.86950082 RMIN -1.00000000 RSCALE 1.81504934 DEL 0.30885751 RSCALE 1.81504934 DEL 2.87213418 RSCALE 1.79743068 DEL 0.30885751 RSCALE 1.81504934 DEL 0.14606976 RSCALE 1.81717227 DEL 0.01336191 RSCALE 1.81907717 DEL 0.00063227 RSCALE 1.81926897 DEL 0.00000287 RSCALE 1.81927850 DEL 0.00000000 RSCALE 1.81927854 CNORM= 1.04207E+00 0.0500 8.071E-05 X 0.1000 9.415E-04 X 0.1500 3.535E-03 IX 0.2000 8.406E-03 I X 0.2500 1.564E-02 I X 0.3000 2.500E-02 I X 0.3500 3.609E-02 I X 0.4000 4.842E-02 I X 0.4500 6.154E-02 I X 0.5000 7.502E-02 I X 0.5500 8.852E-02 I X 0.6000 1.018E-01 I X 0.6500 1.145E-01 I X 0.7000 1.266E-01 I X 0.7500 1.380E-01 I X 0.8000 1.486E-01 I X 0.8500 1.583E-01 I X 0.9000 1.671E-01 I X 0.9500 1.751E-01 I X 1.0000 1.823E-01 I X 1.1000 1.943E-01 I X 1.2000 2.036E-01 I X 1.3000 2.104E-01 I X 1.4000 2.152E-01 I X 1.5000 2.183E-01 I X 1.6000 2.199E-01 I X 1.7000 2.205E-01 I X 1.8000 2.201E-01 I X 1.9000 2.189E-01 I X 2.0000 2.171E-01 I X 2.1000 2.149E-01 I X 2.2000 2.122E-01 I X 2.3000 2.093E-01 I X 2.4000 2.060E-01 I X 2.5000 2.026E-01 I X 2.6000 1.989E-01 I X 2.7000 1.950E-01 I X 2.8000 1.910E-01 I X 2.9000 1.869E-01 I X 3.0000 1.825E-01 I X 3.1000 1.781E-01 I X 3.2000 1.734E-01 I X 3.3000 1.687E-01 I X 3.4000 1.638E-01 I X 3.5000 1.587E-01 I X 3.6000 1.534E-01 I X 3.7000 1.480E-01 I X 3.8000 1.424E-01 I X 3.9000 1.366E-01 I X 4.0000 1.307E-01 I X 4.1000 1.246E-01 I X 4.2000 1.183E-01 I X 4.3000 1.118E-01 I X 4.4000 1.052E-01 I X 4.5000 9.834E-02 I X 4.6000 9.136E-02 I X 4.7000 8.422E-02 I X 4.8000 7.694E-02 I X 4.9000 6.951E-02 I X 5.0000 6.196E-02 I X 5.2000 4.652E-02 I X 5.4000 3.072E-02 I X 5.6000 1.469E-02 I X 5.8000 -1.471E-03 X 6.0000 -1.761E-02 X I 6.2000 -3.362E-02 X I 6.4000 -4.935E-02 X I 6.6000 -6.469E-02 X I 6.8000 -7.951E-02 X I 7.0000 -9.372E-02 X I 7.2000 -1.072E-01 X I 7.4000 -1.198E-01 X I 7.6000 -1.316E-01 X I 7.8000 -1.424E-01 X I 8.0000 -1.521E-01 X I 8.2000 -1.607E-01 X I 8.4000 -1.682E-01 X I 8.6000 -1.745E-01 X I 8.8000 -1.796E-01 X I 9.0000 -1.836E-01 X I 9.2000 -1.863E-01 X I 9.4000 -1.878E-01 X I 9.6000 -1.881E-01 X I 9.8000 -1.873E-01 X I 10.0000 -1.854E-01 X I 10.2500 -1.814E-01 X I 10.5000 -1.758E-01 X I 10.7500 -1.686E-01 X I 11.0000 -1.601E-01 X I 11.2500 -1.502E-01 X I 11.5000 -1.391E-01 X I 11.7500 -1.269E-01 X I 12.0000 -1.137E-01 X I 12.2500 -9.972E-02 X I 12.5000 -8.502E-02 X I 12.7500 -6.972E-02 X I 13.0000 -5.396E-02 X I 13.2500 -3.784E-02 X I 13.5000 -2.148E-02 X I 13.7500 -4.995E-03 XI 14.0000 1.153E-02 I X 14.2500 2.798E-02 I X 14.5000 4.428E-02 I X 14.7500 6.034E-02 I X 15.0000 7.608E-02 I X 15.5000 1.063E-01 I X 16.0000 1.346E-01 I X 16.5000 1.605E-01 I X 17.0000 1.837E-01 I X 17.5000 2.041E-01 I X 18.0000 2.216E-01 I X 18.5000 2.362E-01 I X 19.0000 2.478E-01 I X 19.5000 2.567E-01 I X 20.0000 2.629E-01 I X 20.5000 2.667E-01 I X 21.0000 2.681E-01 I X 21.5000 2.675E-01 I X 22.0000 2.650E-01 I X 22.5000 2.608E-01 I X 23.0000 2.553E-01 I X 23.5000 2.485E-01 I X 24.0000 2.406E-01 I X 24.5000 2.320E-01 I X 25.0000 2.227E-01 I X 25.5000 2.130E-01 I X 26.0000 2.029E-01 I X 26.5000 1.926E-01 I X 27.0000 1.822E-01 I X 27.5000 1.718E-01 I X 28.0000 1.616E-01 I X 28.5000 1.515E-01 I X 29.0000 1.417E-01 I X 29.5000 1.322E-01 I X 30.0000 1.230E-01 I X 31.0000 1.058E-01 I X 32.0000 9.020E-02 I X 33.0000 7.633E-02 I X 34.0000 6.413E-02 I X 35.0000 5.353E-02 I X 36.0000 4.440E-02 I X 37.0000 3.662E-02 I X 38.0000 3.004E-02 I X 39.0000 2.452E-02 I X 40.0000 1.992E-02 I X 41.0000 1.612E-02 I X 42.0000 1.298E-02 I X 43.0000 1.041E-02 I X 44.0000 8.324E-03 I X 45.0000 6.630E-03 IX 46.0000 5.263E-03 IX 47.0000 4.165E-03 IX 48.0000 3.286E-03 IX 0.0 0.0 0.0 0.0 h d7 4s7f d7 4s 7f 218101.8 191101.8 FIXEDHF 27000.0 43 28.01 CONFIG=d7 4s7f d7 4s L=3 ELIM= 229263.300 N= 7 E= 218101.800 E= -0.10171108 Z=2.0000 L=3.0000 STEP=-.0500 NUM= 13100 NSAVE=13100 IRREG=0 IFITER=99 NNODES= 3 NUMR 12885 NUMS 12885 NUML 13071 RS 10.805 RL 1.500 P0 0.00000000 RSCALE 2.91262136 R 1.52500000 RMAX 2.91262136 RMIN -1.00000000 RSCALE 2.82778773 RMAX 2.82778773 RMIN -1.00000000 RSCALE 2.74542498 RMAX 2.74542498 RMIN -1.00000000 RSCALE 2.66546114 RMAX 2.66546114 RMIN -1.00000000 RSCALE 2.58782635 RMAX 2.58782635 RMIN -1.00000000 RSCALE 2.51245277 RMAX 2.51245277 RMIN -1.00000000 RSCALE 2.43927453 RMAX 2.43927453 RMIN -1.00000000 RSCALE 2.36822770 RMAX 2.36822770 RMIN -1.00000000 RSCALE 2.29925020 RMAX 2.29925020 RMIN -1.00000000 RSCALE 2.23228174 RMAX 2.23228174 RMIN -1.00000000 RSCALE 2.16726383 RMAX 2.16726383 RMIN -1.00000000 RSCALE 2.10413964 RMAX 2.10413964 RMIN -1.00000000 RSCALE 2.04285402 RMAX 2.04285402 RMIN -1.00000000 RSCALE 1.98335342 RMAX 1.98335342 RMIN -1.00000000 RSCALE 1.92558584 RMAX 1.92558584 RMIN -1.00000000 RSCALE 1.86950082 DEL -5.52734608 RSCALE 1.86950082 RMAX 1.88782592 RMIN -1.00000000 RSCALE 1.87866337 DEL -31.45576154 RSCALE 1.87866337 DEL -4.27988375 RSCALE 1.86754757 DEL -3.42011159 RSCALE 1.86579696 DEL -1.30018079 RSCALE 1.85883317 DEL -0.53992936 RSCALE 1.85456219 DEL -0.13218168 RSCALE 1.85152894 DEL -0.01733082 RSCALE 1.85054564 DEL -0.00063932 RSCALE 1.85039726 DEL -0.00000321 RSCALE 1.85039158 DEL 0.00000000 RSCALE 1.85039155 CNORM= 1.00870E+00 0.0500 6.060E-05 X 0.1000 7.063E-04 X 0.1500 2.649E-03 IX 0.2000 6.289E-03 IX 0.2500 1.168E-02 I X 0.3000 1.863E-02 I X 0.3500 2.683E-02 I X 0.4000 3.590E-02 I X 0.4500 4.550E-02 I X 0.5000 5.530E-02 I X 0.5500 6.503E-02 I X 0.6000 7.449E-02 I X 0.6500 8.351E-02 I X 0.7000 9.197E-02 I X 0.7500 9.980E-02 I X 0.8000 1.070E-01 I X 0.8500 1.134E-01 I X 0.9000 1.192E-01 I X 0.9500 1.242E-01 I X 1.0000 1.286E-01 I X 1.1000 1.355E-01 I X 1.2000 1.402E-01 I X 1.3000 1.429E-01 I X 1.4000 1.439E-01 I X 1.5000 1.436E-01 I X 1.6000 1.422E-01 I X 1.7000 1.399E-01 I X 1.8000 1.367E-01 I X 1.9000 1.330E-01 I X 2.0000 1.288E-01 I X 2.1000 1.242E-01 I X 2.2000 1.192E-01 I X 2.3000 1.139E-01 I X 2.4000 1.085E-01 I X 2.5000 1.028E-01 I X 2.6000 9.694E-02 I X 2.7000 9.095E-02 I X 2.8000 8.484E-02 I X 2.9000 7.861E-02 I X 3.0000 7.228E-02 I X 3.1000 6.585E-02 I X 3.2000 5.934E-02 I X 3.3000 5.275E-02 I X 3.4000 4.608E-02 I X 3.5000 3.936E-02 I X 3.6000 3.257E-02 I X 3.7000 2.574E-02 I X 3.8000 1.887E-02 I X 3.9000 1.197E-02 I X 4.0000 5.050E-03 IX 4.1000 -1.880E-03 X 4.2000 -8.806E-03 X I 4.3000 -1.572E-02 X I 4.4000 -2.260E-02 X I 4.5000 -2.943E-02 X I 4.6000 -3.621E-02 X I 4.7000 -4.292E-02 X I 4.8000 -4.953E-02 X I 4.9000 -5.604E-02 X I 5.0000 -6.244E-02 X I 5.2000 -7.479E-02 X I 5.4000 -8.648E-02 X I 5.6000 -9.739E-02 X I 5.8000 -1.074E-01 X I 6.0000 -1.164E-01 X I 6.2000 -1.244E-01 X I 6.4000 -1.311E-01 X I 6.6000 -1.367E-01 X I 6.8000 -1.411E-01 X I 7.0000 -1.441E-01 X I 7.2000 -1.459E-01 X I 7.4000 -1.463E-01 X I 7.6000 -1.455E-01 X I 7.8000 -1.434E-01 X I 8.0000 -1.401E-01 X I 8.2000 -1.356E-01 X I 8.4000 -1.300E-01 X I 8.6000 -1.233E-01 X I 8.8000 -1.157E-01 X I 9.0000 -1.071E-01 X I 9.2000 -9.765E-02 X I 9.4000 -8.748E-02 X I 9.6000 -7.666E-02 X I 9.8000 -6.527E-02 X I 10.0000 -5.340E-02 X I 10.2500 -3.805E-02 X I 10.5000 -2.228E-02 X I 10.7500 -6.273E-03 XI 11.0000 9.800E-03 I X 11.2500 2.577E-02 I X 11.5000 4.149E-02 I X 11.7500 5.681E-02 I X 12.0000 7.159E-02 I X 12.2500 8.570E-02 I X 12.5000 9.904E-02 I X 12.7500 1.115E-01 I X 13.0000 1.230E-01 I X 13.2500 1.335E-01 I X 13.5000 1.428E-01 I X 13.7500 1.511E-01 I X 14.0000 1.581E-01 I X 14.2500 1.639E-01 I X 14.5000 1.685E-01 I X 14.7500 1.719E-01 I X 15.0000 1.740E-01 I X 15.5000 1.747E-01 I X 16.0000 1.707E-01 I X 16.5000 1.624E-01 I X 17.0000 1.502E-01 I X 17.5000 1.345E-01 I X 18.0000 1.159E-01 I X 18.5000 9.482E-02 I X 19.0000 7.189E-02 I X 19.5000 4.761E-02 I X 20.0000 2.247E-02 I X 20.5000 -3.058E-03 XI 21.0000 -2.854E-02 X I 21.5000 -5.359E-02 X I 22.0000 -7.786E-02 X I 22.5000 -1.011E-01 X I 23.0000 -1.229E-01 X I 23.5000 -1.433E-01 X I 24.0000 -1.620E-01 X I 24.5000 -1.789E-01 X I 25.0000 -1.939E-01 X I 25.5000 -2.071E-01 X I 26.0000 -2.183E-01 X I 26.5000 -2.277E-01 X I 27.0000 -2.353E-01 X I 27.5000 -2.411E-01 X I 28.0000 -2.452E-01 X I 28.5000 -2.477E-01 X I 29.0000 -2.488E-01 X I 29.5000 -2.485E-01 X I 30.0000 -2.469E-01 X I 31.0000 -2.405E-01 X I 32.0000 -2.306E-01 X I 33.0000 -2.179E-01 X I 34.0000 -2.034E-01 X I 35.0000 -1.878E-01 X I 36.0000 -1.716E-01 X I 37.0000 -1.555E-01 X I 38.0000 -1.396E-01 X I 39.0000 -1.244E-01 X I 40.0000 -1.101E-01 X I 41.0000 -9.685E-02 X I 42.0000 -8.464E-02 X I 43.0000 -7.356E-02 X I 44.0000 -6.358E-02 X I 45.0000 -5.469E-02 X I 46.0000 -4.682E-02 X I 47.0000 -3.991E-02 X I 48.0000 -3.388E-02 X I 49.0000 -2.864E-02 X I 50.0000 -2.413E-02 X I 52.0000 -1.694E-02 X I 54.0000 -1.175E-02 X I 56.0000 -8.048E-03 X I 58.0000 -5.456E-03 XI 60.0000 -3.663E-03 XI 0.0 0.0 0.0 0.0 i d7 4s8f d7 4s 8f 220260.7 193260.7 FIXEDHF 27000.0 44 28.01 CONFIG=d7 4s8f d7 4s L=3 ELIM= 229263.300 N= 8 E= 220260.700 E= -0.08203773 Z=2.0000 L=3.0000 STEP=-.0500 NUM= 14800 NSAVE=14800 IRREG=0 IFITER=99 NNODES= 4 NUMR 14585 NUMS 14585 NUML 14771 RS 10.805 RL 1.500 RMAX 3.00000000 RMIN -1.00000000 RSCALE 2.91262136 RMAX 2.91262136 RMIN -1.00000000 RSCALE 2.82778773 RMAX 2.82778773 RMIN -1.00000000 RSCALE 2.74542498 RMAX 2.74542498 RMIN -1.00000000 RSCALE 2.66546114 RMAX 2.66546114 RMIN -1.00000000 RSCALE 2.58782635 RMAX 2.58782635 RMIN -1.00000000 RSCALE 2.51245277 RMAX 2.51245277 RMIN -1.00000000 RSCALE 2.43927453 RMAX 2.43927453 RMIN -1.00000000 RSCALE 2.36822770 RMAX 2.36822770 RMIN -1.00000000 RSCALE 2.29925020 RMAX 2.29925020 RMIN -1.00000000 RSCALE 2.23228174 DEL -18.55331014 RSCALE 2.23228174 DEL -43.47695898 RSCALE 2.25416287 DEL -18.55330985 RSCALE 2.23228174 DEL -11.97247011 RSCALE 2.21599331 DEL -7.44503549 RSCALE 2.19448269 DEL -4.92672895 RSCALE 2.17318088 DEL -3.35241471 RSCALE 2.15208585 DEL -2.29229245 RSCALE 2.13119559 DEL -1.54065192 RSCALE 2.11050810 DEL -0.98720003 RSCALE 2.09002143 DEL -0.56778764 RSCALE 2.06973363 DEL -0.24274173 RSCALE 2.04964275 DEL -0.04427474 RSCALE 2.03463905 DEL -0.00429306 RSCALE 2.03129196 DEL -0.00008542 RSCALE 2.03093257 DEL -0.00000017 RSCALE 2.03092527 DEL 0.00000000 RSCALE 2.03092526 CNORM= 1.00144E+00 0.0500 3.186E-05 X 0.1000 3.699E-04 X 0.1500 1.378E-03 X 0.2000 3.247E-03 IX 0.2500 5.972E-03 IX 0.3000 9.422E-03 I X 0.3500 1.340E-02 I X 0.4000 1.768E-02 I X 0.4500 2.206E-02 I X 0.5000 2.636E-02 I X 0.5500 3.044E-02 I X 0.6000 3.420E-02 I X 0.6500 3.755E-02 I X 0.7000 4.044E-02 I X 0.7500 4.285E-02 I X 0.8000 4.476E-02 I X 0.8500 4.619E-02 I X 0.9000 4.716E-02 I X 0.9500 4.767E-02 I X 1.0000 4.776E-02 I X 1.1000 4.681E-02 I X 1.2000 4.456E-02 I X 1.3000 4.126E-02 I X 1.4000 3.713E-02 I X 1.5000 3.236E-02 I X 1.6000 2.712E-02 I X 1.7000 2.154E-02 I X 1.8000 1.573E-02 I X 1.9000 9.775E-03 I X 2.0000 3.739E-03 IX 2.1000 -2.324E-03 XI 2.2000 -8.373E-03 X I 2.3000 -1.438E-02 X I 2.4000 -2.032E-02 X I 2.5000 -2.617E-02 X I 2.6000 -3.191E-02 X I 2.7000 -3.755E-02 X I 2.8000 -4.306E-02 X I 2.9000 -4.845E-02 X I 3.0000 -5.370E-02 X I 3.1000 -5.880E-02 X I 3.2000 -6.376E-02 X I 3.3000 -6.856E-02 X I 3.4000 -7.319E-02 X I 3.5000 -7.766E-02 X I 3.6000 -8.195E-02 X I 3.7000 -8.606E-02 X I 3.8000 -8.998E-02 X I 3.9000 -9.370E-02 X I 4.0000 -9.721E-02 X I 4.1000 -1.005E-01 X I 4.2000 -1.036E-01 X I 4.3000 -1.064E-01 X I 4.4000 -1.090E-01 X I 4.5000 -1.114E-01 X I 4.6000 -1.135E-01 X I 4.7000 -1.153E-01 X I 4.8000 -1.169E-01 X I 4.9000 -1.182E-01 X I 5.0000 -1.192E-01 X I 5.2000 -1.204E-01 X I 5.4000 -1.203E-01 X I 5.6000 -1.191E-01 X I 5.8000 -1.168E-01 X I 6.0000 -1.132E-01 X I 6.2000 -1.085E-01 X I 6.4000 -1.027E-01 X I 6.6000 -9.591E-02 X I 6.8000 -8.815E-02 X I 7.0000 -7.952E-02 X I 7.2000 -7.011E-02 X I 7.4000 -6.002E-02 X I 7.6000 -4.936E-02 X I 7.8000 -3.823E-02 X I 8.0000 -2.675E-02 X I 8.2000 -1.502E-02 X I 8.4000 -3.150E-03 XI 8.6000 8.746E-03 I X 8.8000 2.057E-02 I X 9.0000 3.221E-02 I X 9.2000 4.357E-02 I X 9.4000 5.457E-02 I X 9.6000 6.512E-02 I X 9.8000 7.513E-02 I X 10.0000 8.454E-02 I X 10.2500 9.535E-02 I X 10.5000 1.050E-01 I X 10.7500 1.134E-01 I X 11.0000 1.205E-01 I X 11.2500 1.262E-01 I X 11.5000 1.306E-01 I X 11.7500 1.334E-01 I X 12.0000 1.349E-01 I X 12.2500 1.349E-01 I X 12.5000 1.336E-01 I X 12.7500 1.309E-01 I X 13.0000 1.269E-01 I X 13.2500 1.217E-01 I X 13.5000 1.154E-01 I X 13.7500 1.080E-01 I X 14.0000 9.954E-02 I X 14.2500 9.025E-02 I X 14.5000 8.017E-02 I X 14.7500 6.941E-02 I X 15.0000 5.806E-02 I X 15.5000 3.404E-02 I X 16.0000 8.951E-03 I X 16.5000 -1.642E-02 X I 17.0000 -4.131E-02 X I 17.5000 -6.506E-02 X I 18.0000 -8.708E-02 X I 18.5000 -1.068E-01 X I 19.0000 -1.240E-01 X I 19.5000 -1.382E-01 X I 20.0000 -1.492E-01 X I 20.5000 -1.570E-01 X I 21.0000 -1.614E-01 X I 21.5000 -1.626E-01 X I 22.0000 -1.606E-01 X I 22.5000 -1.556E-01 X I 23.0000 -1.478E-01 X I 23.5000 -1.375E-01 X I 24.0000 -1.248E-01 X I 24.5000 -1.102E-01 X I 25.0000 -9.390E-02 X I 25.5000 -7.621E-02 X I 26.0000 -5.745E-02 X I 26.5000 -3.791E-02 X I 27.0000 -1.787E-02 X I 27.5000 2.384E-03 IX 28.0000 2.261E-02 I X 28.5000 4.259E-02 I X 29.0000 6.210E-02 I X 29.5000 8.097E-02 I X 30.0000 9.904E-02 I X 31.0000 1.322E-01 I X 32.0000 1.609E-01 I X 33.0000 1.846E-01 I X 34.0000 2.031E-01 I X 35.0000 2.165E-01 I X 36.0000 2.250E-01 I X 37.0000 2.291E-01 I X 38.0000 2.292E-01 I X 39.0000 2.259E-01 I X 40.0000 2.198E-01 I X 41.0000 2.113E-01 I X 42.0000 2.011E-01 I X 43.0000 1.896E-01 I X 44.0000 1.772E-01 I X 45.0000 1.644E-01 I X 46.0000 1.513E-01 I X 47.0000 1.385E-01 I X 48.0000 1.259E-01 I X 49.0000 1.138E-01 I X 50.0000 1.023E-01 I X 52.0000 8.151E-02 I X 54.0000 6.379E-02 I X 56.0000 4.914E-02 I X 58.0000 3.732E-02 I X 60.0000 2.797E-02 I X 62.0000 2.072E-02 I X 64.0000 1.519E-02 I X 66.0000 1.102E-02 I X 68.0000 7.923E-03 I X 70.0000 5.648E-03 IX 72.0000 3.995E-03 IX 74.0000 2.805E-03 IX 0.0 0.0 0.0 0.0 j d7 4s9f d7 4s 9f 221735.7 194735.7 FIXEDHF 27000.0 45 28.01 CONFIG=d7 4s9f d7 4s L=3 ELIM= 229263.300 N= 9 E= 221735.700 E= -0.06859654 Z=2.0000 L=3.0000 STEP=-.0500 NUM= 16400 NSAVE=16400 IRREG=0 IFITER=99 NNODES= 5 NUMR 16185 NUMS 16185 NUML 16371 RS 10.805 RL 1.500 RMAX 3.00000000 RMIN -1.00000000 RSCALE 2.91262136 RMAX 2.91262136 RMIN -1.00000000 RSCALE 2.82778773 RMAX 2.82778773 RMIN -1.00000000 RSCALE 2.74542498 RMAX 2.74542498 RMIN -1.00000000 RSCALE 2.66546114 RMAX 2.66546114 RMIN -1.00000000 RSCALE 2.58782635 RMAX 2.58782635 RMIN -1.00000000 RSCALE 2.51245277 RMAX 2.51245277 RMIN -1.00000000 RSCALE 2.43927453 RMAX 2.43927453 RMIN -1.00000000 RSCALE 2.36822770 DEL 0.92727157 RSCALE 2.36822770 DEL 0.53423370 RSCALE 2.34523935 DEL -0.20990877 RSCALE 2.32247415 DEL 0.06158489 RSCALE 2.32889579 DEL 0.00566905 RSCALE 2.32743912 DEL -0.00016880 RSCALE 2.32729144 DEL 0.00000045 RSCALE 2.32729571 DEL 0.00000000 RSCALE 2.32729570 CNORM= 1.00281E+00 0.0500 4.994E-05 X 0.1000 5.765E-04 X 0.1500 2.130E-03 IX 0.2000 4.962E-03 IX 0.2500 9.005E-03 I X 0.3000 1.398E-02 I X 0.3500 1.952E-02 I X 0.4000 2.523E-02 I X 0.4500 3.077E-02 I X 0.5000 3.585E-02 I X 0.5500 4.026E-02 I X 0.6000 4.385E-02 I X 0.6500 4.653E-02 I X 0.7000 4.826E-02 I X 0.7500 4.906E-02 I X 0.8000 4.896E-02 I X 0.8500 4.802E-02 I X 0.9000 4.629E-02 I X 0.9500 4.387E-02 I X 1.0000 4.083E-02 I X 1.1000 3.325E-02 I X 1.2000 2.417E-02 I X 1.3000 1.415E-02 I X 1.4000 3.648E-03 IX 1.5000 -6.964E-03 X I 1.6000 -1.741E-02 X I 1.7000 -2.748E-02 X I 1.8000 -3.703E-02 X I 1.9000 -4.596E-02 X I 2.0000 -5.421E-02 X I 2.1000 -6.176E-02 X I 2.2000 -6.858E-02 X I 2.3000 -7.469E-02 X I 2.4000 -8.010E-02 X I 2.5000 -8.484E-02 X I 2.6000 -8.893E-02 X I 2.7000 -9.241E-02 X I 2.8000 -9.529E-02 X I 2.9000 -9.762E-02 X I 3.0000 -9.942E-02 X I 3.1000 -1.007E-01 X I 3.2000 -1.016E-01 X I 3.3000 -1.019E-01 X I 3.4000 -1.019E-01 X I 3.5000 -1.015E-01 X I 3.6000 -1.007E-01 X I 3.7000 -9.950E-02 X I 3.8000 -9.799E-02 X I 3.9000 -9.616E-02 X I 4.0000 -9.402E-02 X I 4.1000 -9.158E-02 X I 4.2000 -8.887E-02 X I 4.3000 -8.590E-02 X I 4.4000 -8.268E-02 X I 4.5000 -7.922E-02 X I 4.6000 -7.553E-02 X I 4.7000 -7.164E-02 X I 4.8000 -6.755E-02 X I 4.9000 -6.327E-02 X I 5.0000 -5.882E-02 X I 5.2000 -4.946E-02 X I 5.4000 -3.956E-02 X I 5.6000 -2.925E-02 X I 5.8000 -1.862E-02 X I 6.0000 -7.798E-03 X I 6.2000 3.109E-03 IX 6.4000 1.398E-02 I X 6.6000 2.471E-02 I X 6.8000 3.518E-02 I X 7.0000 4.528E-02 I X 7.2000 5.492E-02 I X 7.4000 6.399E-02 I X 7.6000 7.242E-02 I X 7.8000 8.013E-02 I X 8.0000 8.704E-02 I X 8.2000 9.311E-02 I X 8.4000 9.828E-02 I X 8.6000 1.025E-01 I X 8.8000 1.058E-01 I X 9.0000 1.081E-01 I X 9.2000 1.094E-01 I X 9.4000 1.098E-01 I X 9.6000 1.091E-01 I X 9.8000 1.075E-01 I X 10.0000 1.050E-01 I X 10.2500 1.007E-01 I X 10.5000 9.497E-02 I X 10.7500 8.809E-02 I X 11.0000 8.010E-02 I X 11.2500 7.114E-02 I X 11.5000 6.132E-02 I X 11.7500 5.077E-02 I X 12.0000 3.965E-02 I X 12.2500 2.807E-02 I X 12.5000 1.618E-02 I X 12.7500 4.112E-03 IX 13.0000 -8.000E-03 X I 13.2500 -2.003E-02 X I 13.5000 -3.185E-02 X I 13.7500 -4.335E-02 X I 14.0000 -5.442E-02 X I 14.2500 -6.496E-02 X I 14.5000 -7.488E-02 X I 14.7500 -8.410E-02 X I 15.0000 -9.254E-02 X I 15.5000 -1.069E-01 X I 16.0000 -1.175E-01 X I 16.5000 -1.242E-01 X I 17.0000 -1.268E-01 X I 17.5000 -1.255E-01 X I 18.0000 -1.204E-01 X I 18.5000 -1.118E-01 X I 19.0000 -1.001E-01 X I 19.5000 -8.567E-02 X I 20.0000 -6.898E-02 X I 20.5000 -5.054E-02 X I 21.0000 -3.087E-02 X I 21.5000 -1.046E-02 X I 22.0000 1.019E-02 I X 22.5000 3.062E-02 I X 23.0000 5.040E-02 I X 23.5000 6.914E-02 I X 24.0000 8.650E-02 I X 24.5000 1.022E-01 I X 25.0000 1.160E-01 I X 25.5000 1.277E-01 I X 26.0000 1.372E-01 I X 26.5000 1.443E-01 I X 27.0000 1.492E-01 I X 27.5000 1.516E-01 I X 28.0000 1.518E-01 I X 28.5000 1.497E-01 I X 29.0000 1.455E-01 I X 29.5000 1.393E-01 I X 30.0000 1.312E-01 I X 31.0000 1.102E-01 I X 32.0000 8.396E-02 I X 33.0000 5.393E-02 I X 34.0000 2.165E-02 I X 35.0000 -1.148E-02 X I 36.0000 -4.422E-02 X I 37.0000 -7.550E-02 X I 38.0000 -1.045E-01 X I 39.0000 -1.305E-01 X I 40.0000 -1.532E-01 X I 41.0000 -1.722E-01 X I 42.0000 -1.874E-01 X I 43.0000 -1.990E-01 X I 44.0000 -2.069E-01 X I 45.0000 -2.116E-01 X I 46.0000 -2.132E-01 X I 47.0000 -2.121E-01 X I 48.0000 -2.087E-01 X I 49.0000 -2.032E-01 X I 50.0000 -1.962E-01 X I 52.0000 -1.785E-01 X I 54.0000 -1.580E-01 X I 56.0000 -1.365E-01 X I 58.0000 -1.156E-01 X I 60.0000 -9.615E-02 X I 62.0000 -7.868E-02 X I 64.0000 -6.345E-02 X I 66.0000 -5.051E-02 X I 68.0000 -3.972E-02 X I 70.0000 -3.090E-02 X I 72.0000 -2.380E-02 X I 74.0000 -1.816E-02 X I 76.0000 -1.374E-02 X I 78.0000 -1.031E-02 X I 80.0000 -7.680E-03 X I 82.0000 -5.680E-03 XI 84.0000 -4.174E-03 XI 86.0000 -3.048E-03 XI 88.0000 -2.213E-03 XI 0.0 0.0 0.0 0.0 k d7 4s10f d7 4s 10f 222787.0 195787.0 FIXEDHF 27000.0 46 28.01 CONFIG=d7 4s10f d7 4s L=3 ELIM= 229263.300 N=10 E= 222787.000 E= -0.05901639 Z=2.0000 L=3.0000 STEP=-.0500 NUM= 17900 NSAVE=17900 IRREG=0 IFITER=99 NNODES= 6 NUMR 17685 NUMS 17685 NUML 17871 RS 10.805 RL 1.500 DEL 0.94929322 RSCALE 3.00000000 DEL 0.91805369 RSCALE 2.97087905 DEL 0.88266427 RSCALE 2.94204077 DEL 0.84276929 RSCALE 2.91348242 DEL 0.79793438 RSCALE 2.88520129 DEL 0.74763287 RSCALE 2.85719469 DEL 0.69122747 RSCALE 2.82945994 DEL 0.62794627 RSCALE 2.80199442 DEL 0.55685125 RSCALE 2.77479550 DEL 0.47679661 RSCALE 2.74786060 DEL 0.38637338 RSCALE 2.72118716 DEL 0.28383450 RSCALE 2.69477264 DEL 0.16699224 RSCALE 2.66861452 DEL 0.03307553 RSCALE 2.64271032 DEL -0.00324350 RSCALE 2.63631235 DEL 0.00005685 RSCALE 2.63688373 DEL 0.00000010 RSCALE 2.63687388 DEL 0.00000000 RSCALE 2.63687387 CNORM= 9.99237E-01 0.0500 4.715E-05 X 0.1000 5.418E-04 X 0.1500 1.988E-03 IX 0.2000 4.586E-03 IX 0.2500 8.226E-03 I X 0.3000 1.259E-02 I X 0.3500 1.730E-02 I X 0.4000 2.194E-02 I X 0.4500 2.619E-02 I X 0.5000 2.978E-02 I X 0.5500 3.253E-02 I X 0.6000 3.434E-02 I X 0.6500 3.516E-02 I X 0.7000 3.501E-02 I X 0.7500 3.394E-02 I X 0.8000 3.202E-02 I X 0.8500 2.936E-02 I X 0.9000 2.606E-02 I X 0.9500 2.223E-02 I X 1.0000 1.798E-02 I X 1.1000 8.624E-03 I X 1.2000 -1.274E-03 X 1.3000 -1.112E-02 X I 1.4000 -2.046E-02 X I 1.5000 -2.898E-02 X I 1.6000 -3.648E-02 X I 1.7000 -4.284E-02 X I 1.8000 -4.803E-02 X I 1.9000 -5.204E-02 X I 2.0000 -5.492E-02 X I 2.1000 -5.673E-02 X I 2.2000 -5.755E-02 X I 2.3000 -5.746E-02 X I 2.4000 -5.656E-02 X I 2.5000 -5.493E-02 X I 2.6000 -5.266E-02 X I 2.7000 -4.982E-02 X I 2.8000 -4.650E-02 X I 2.9000 -4.276E-02 X I 3.0000 -3.866E-02 X I 3.1000 -3.427E-02 X I 3.2000 -2.963E-02 X I 3.3000 -2.480E-02 X I 3.4000 -1.981E-02 X I 3.5000 -1.471E-02 X I 3.6000 -9.522E-03 X I 3.7000 -4.288E-03 XI 3.8000 9.665E-04 X 3.9000 6.217E-03 I X 4.0000 1.144E-02 I X 4.1000 1.661E-02 I X 4.2000 2.172E-02 I X 4.3000 2.674E-02 I X 4.4000 3.166E-02 I X 4.5000 3.647E-02 I X 4.6000 4.114E-02 I X 4.7000 4.567E-02 I X 4.8000 5.005E-02 I X 4.9000 5.426E-02 I X 5.0000 5.829E-02 I X 5.2000 6.580E-02 I X 5.4000 7.250E-02 I X 5.6000 7.834E-02 I X 5.8000 8.326E-02 I X 6.0000 8.723E-02 I X 6.2000 9.022E-02 I X 6.4000 9.220E-02 I X 6.6000 9.316E-02 I X 6.8000 9.312E-02 I X 7.0000 9.206E-02 I X 7.2000 9.003E-02 I X 7.4000 8.704E-02 I X 7.6000 8.313E-02 I X 7.8000 7.837E-02 I X 8.0000 7.280E-02 I X 8.2000 6.649E-02 I X 8.4000 5.952E-02 I X 8.6000 5.196E-02 I X 8.8000 4.389E-02 I X 9.0000 3.540E-02 I X 9.2000 2.658E-02 I X 9.4000 1.750E-02 I X 9.6000 8.268E-03 I X 9.8000 -1.042E-03 X 10.0000 -1.034E-02 X I 10.2500 -2.183E-02 X I 10.5000 -3.303E-02 X I 10.7500 -4.378E-02 X I 11.0000 -5.397E-02 X I 11.2500 -6.346E-02 X I 11.5000 -7.215E-02 X I 11.7500 -7.995E-02 X I 12.0000 -8.678E-02 X I 12.2500 -9.258E-02 X I 12.5000 -9.729E-02 X I 12.7500 -1.009E-01 X I 13.0000 -1.033E-01 X I 13.2500 -1.046E-01 X I 13.5000 -1.048E-01 X I 13.7500 -1.039E-01 X I 14.0000 -1.018E-01 X I 14.2500 -9.870E-02 X I 14.5000 -9.460E-02 X I 14.7500 -8.956E-02 X I 15.0000 -8.363E-02 X I 15.5000 -6.944E-02 X I 16.0000 -5.267E-02 X I 16.5000 -3.400E-02 X I 17.0000 -1.414E-02 X I 17.5000 6.188E-03 I X 18.0000 2.632E-02 I X 18.5000 4.563E-02 I X 19.0000 6.356E-02 I X 19.5000 7.961E-02 I X 20.0000 9.339E-02 I X 20.5000 1.046E-01 I X 21.0000 1.130E-01 I X 21.5000 1.184E-01 I X 22.0000 1.209E-01 I X 22.5000 1.204E-01 I X 23.0000 1.171E-01 I X 23.5000 1.110E-01 I X 24.0000 1.025E-01 I X 24.5000 9.176E-02 I X 25.0000 7.909E-02 I X 25.5000 6.480E-02 I X 26.0000 4.923E-02 I X 26.5000 3.271E-02 I X 27.0000 1.557E-02 I X 27.5000 -1.845E-03 XI 28.0000 -1.923E-02 X I 28.5000 -3.629E-02 X I 29.0000 -5.275E-02 X I 29.5000 -6.836E-02 X I 30.0000 -8.290E-02 X I 31.0000 -1.080E-01 X I 32.0000 -1.270E-01 X I 33.0000 -1.391E-01 X I 34.0000 -1.441E-01 X I 35.0000 -1.422E-01 X I 36.0000 -1.338E-01 X I 37.0000 -1.198E-01 X I 38.0000 -1.009E-01 X I 39.0000 -7.816E-02 X I 40.0000 -5.265E-02 X I 41.0000 -2.538E-02 X I 42.0000 2.702E-03 IX 43.0000 3.071E-02 I X 44.0000 5.788E-02 I X 45.0000 8.358E-02 I X 46.0000 1.073E-01 I X 47.0000 1.286E-01 I X 48.0000 1.473E-01 I X 49.0000 1.632E-01 I X 50.0000 1.762E-01 I X 52.0000 1.937E-01 I X 54.0000 2.009E-01 I X 56.0000 1.993E-01 I X 58.0000 1.909E-01 I X 60.0000 1.776E-01 I X 62.0000 1.612E-01 I X 64.0000 1.432E-01 I X 66.0000 1.249E-01 I X 68.0000 1.072E-01 I X 70.0000 9.058E-02 I X 72.0000 7.556E-02 I X 74.0000 6.226E-02 I X 76.0000 5.074E-02 I X 78.0000 4.094E-02 I X 80.0000 3.272E-02 I X 82.0000 2.592E-02 I X 84.0000 2.037E-02 I X 86.0000 1.589E-02 I X 88.0000 1.230E-02 I X 90.0000 9.465E-03 I X 92.0000 7.236E-03 I X 94.0000 5.500E-03 I X 96.0000 4.157E-03 IX 98.0000 3.126E-03 IX 100.0000 2.338E-03 IX 0.0 0.0 0.0 0.0 l d7 4s11f d7 4s 11f 223564.5 196564.5 FIXEDHF 27000.0 47 28.01 CONFIG=d7 4s11f d7 4s L=3 ELIM= 229263.300 N=11 E= 223564.500 E= -0.05193129 Z=2.0000 L=3.0000 STEP=-.0500 NUM= 19300 NSAVE=19300 IRREG=0 IFITER=99 NNODES= 7 NUMR 19085 NUMS 19085 NUML 19271 RS 10.805 RL 1.500 DEL -2.33193193 RSCALE 3.00000000 DEL -1.38332258 RSCALE 3.02940640 DEL -0.78258971 RSCALE 3.05910105 DEL -0.36921971 RSCALE 3.08908677 DEL -0.09868171 RSCALE 3.11586984 DEL -0.01637428 RSCALE 3.12563926 DEL -0.00086825 RSCALE 3.12758279 DEL -0.00000804 RSCALE 3.12769162 DEL 0.00000002 RSCALE 3.12769264 DEL 0.00000001 RSCALE 3.12769263 DEL -0.00000001 RSCALE 3.12769263 DEL 0.00000001 RSCALE 3.12769263 CNORM= 9.99143E-01 0.0500 5.506E-05 X 0.1000 6.290E-04 X 0.1500 2.287E-03 IX 0.2000 5.215E-03 I X 0.2500 9.213E-03 I X 0.3000 1.385E-02 I X 0.3500 1.861E-02 I X 0.4000 2.302E-02 I X 0.4500 2.667E-02 I X 0.5000 2.930E-02 I X 0.5500 3.074E-02 I X 0.6000 3.093E-02 I X 0.6500 2.990E-02 I X 0.7000 2.774E-02 I X 0.7500 2.459E-02 I X 0.8000 2.061E-02 I X 0.8500 1.599E-02 I X 0.9000 1.089E-02 I X 0.9500 5.488E-03 I X 1.0000 -5.632E-05 X 1.1000 -1.102E-02 X I 1.2000 -2.108E-02 X I 1.3000 -2.960E-02 X I 1.4000 -3.621E-02 X I 1.5000 -4.076E-02 X I 1.6000 -4.325E-02 X I 1.7000 -4.378E-02 X I 1.8000 -4.255E-02 X I 1.9000 -3.978E-02 X I 2.0000 -3.572E-02 X I 2.1000 -3.062E-02 X I 2.2000 -2.471E-02 X I 2.3000 -1.820E-02 X I 2.4000 -1.129E-02 X I 2.5000 -4.157E-03 XI 2.6000 3.053E-03 IX 2.7000 1.021E-02 I X 2.8000 1.722E-02 I X 2.9000 2.399E-02 I X 3.0000 3.044E-02 I X 3.1000 3.653E-02 I X 3.2000 4.221E-02 I X 3.3000 4.745E-02 I X 3.4000 5.223E-02 I X 3.5000 5.654E-02 I X 3.6000 6.037E-02 I X 3.7000 6.371E-02 I X 3.8000 6.658E-02 I X 3.9000 6.897E-02 I X 4.0000 7.090E-02 I X 4.1000 7.238E-02 I X 4.2000 7.342E-02 I X 4.3000 7.404E-02 I X 4.4000 7.425E-02 I X 4.5000 7.408E-02 I X 4.6000 7.353E-02 I X 4.7000 7.263E-02 I X 4.8000 7.139E-02 I X 4.9000 6.983E-02 I X 5.0000 6.797E-02 I X 5.2000 6.342E-02 I X 5.4000 5.788E-02 I X 5.6000 5.148E-02 I X 5.8000 4.435E-02 I X 6.0000 3.662E-02 I X 6.2000 2.842E-02 I X 6.4000 1.986E-02 I X 6.6000 1.105E-02 I X 6.8000 2.119E-03 IX 7.0000 -6.839E-03 X I 7.2000 -1.572E-02 X I 7.4000 -2.443E-02 X I 7.6000 -3.287E-02 X I 7.8000 -4.096E-02 X I 8.0000 -4.862E-02 X I 8.2000 -5.577E-02 X I 8.4000 -6.234E-02 X I 8.6000 -6.828E-02 X I 8.8000 -7.354E-02 X I 9.0000 -7.807E-02 X I 9.2000 -8.184E-02 X I 9.4000 -8.482E-02 X I 9.6000 -8.699E-02 X I 9.8000 -8.835E-02 X I 10.0000 -8.889E-02 X I 10.2500 -8.843E-02 X I 10.5000 -8.673E-02 X I 10.7500 -8.384E-02 X I 11.0000 -7.981E-02 X I 11.2500 -7.473E-02 X I 11.5000 -6.867E-02 X I 11.7500 -6.174E-02 X I 12.0000 -5.402E-02 X I 12.2500 -4.564E-02 X I 12.5000 -3.670E-02 X I 12.7500 -2.732E-02 X I 13.0000 -1.763E-02 X I 13.2500 -7.726E-03 X I 13.5000 2.263E-03 IX 13.7500 1.223E-02 I X 14.0000 2.206E-02 I X 14.2500 3.165E-02 I X 14.5000 4.091E-02 I X 14.7500 4.974E-02 I X 15.0000 5.806E-02 I X 15.5000 7.289E-02 I X 16.0000 8.487E-02 I X 16.5000 9.367E-02 I X 17.0000 9.904E-02 I X 17.5000 1.009E-01 I X 18.0000 9.933E-02 I X 18.5000 9.444E-02 I X 19.0000 8.651E-02 I X 19.5000 7.588E-02 I X 20.0000 6.294E-02 I X 20.5000 4.815E-02 I X 21.0000 3.197E-02 I X 21.5000 1.491E-02 I X 22.0000 -2.559E-03 XI 22.5000 -1.996E-02 X I 23.0000 -3.686E-02 X I 23.5000 -5.284E-02 X I 24.0000 -6.756E-02 X I 24.5000 -8.069E-02 X I 25.0000 -9.198E-02 X I 25.5000 -1.012E-01 X I 26.0000 -1.083E-01 X I 26.5000 -1.131E-01 X I 27.0000 -1.156E-01 X I 27.5000 -1.158E-01 X I 28.0000 -1.137E-01 X I 28.5000 -1.095E-01 X I 29.0000 -1.033E-01 X I 29.5000 -9.521E-02 X I 30.0000 -8.548E-02 X I 31.0000 -6.188E-02 X I 32.0000 -3.428E-02 X I 33.0000 -4.576E-03 XI 34.0000 2.541E-02 I X 35.0000 5.401E-02 I X 36.0000 7.979E-02 I X 37.0000 1.016E-01 I X 38.0000 1.187E-01 I X 39.0000 1.304E-01 I X 40.0000 1.365E-01 I X 41.0000 1.372E-01 I X 42.0000 1.326E-01 I X 43.0000 1.231E-01 I X 44.0000 1.094E-01 I X 45.0000 9.214E-02 I X 46.0000 7.200E-02 I X 47.0000 4.975E-02 I X 48.0000 2.611E-02 I X 49.0000 1.788E-03 IX 50.0000 -2.259E-02 X I 52.0000 -6.929E-02 X I 54.0000 -1.104E-01 X I 56.0000 -1.437E-01 X I 58.0000 -1.680E-01 X I 60.0000 -1.833E-01 X I 62.0000 -1.904E-01 X I 64.0000 -1.902E-01 X I 66.0000 -1.842E-01 X I 68.0000 -1.739E-01 X I 70.0000 -1.606E-01 X I 72.0000 -1.454E-01 X I 74.0000 -1.295E-01 X I 76.0000 -1.136E-01 X I 78.0000 -9.833E-02 X I 80.0000 -8.406E-02 X I 82.0000 -7.107E-02 X I 84.0000 -5.947E-02 X I 86.0000 -4.929E-02 X I 88.0000 -4.050E-02 X I 90.0000 -3.300E-02 X I 92.0000 -2.669E-02 X I 94.0000 -2.144E-02 X I 96.0000 -1.710E-02 X I 98.0000 -1.355E-02 X I 100.0000 -1.068E-02 X I 102.0000 -8.370E-03 X I 104.0000 -6.525E-03 X I 106.0000 -5.061E-03 XI 108.0000 -3.906E-03 XI 110.0000 -3.002E-03 XI 112.0000 -2.297E-03 XI 0.0 0.0 0.0 0.0 m d7 4s12f d7 4s 12f 224155.0 197155.0 FIXEDHF 27000.0 48 28.01 CONFIG=d7 4s12f d7 4s L=3 ELIM= 229263.300 N=12 E= 224155.000 E= -0.04655026 Z=2.0000 L=3.0000 STEP=-.0500 NUM= 20600 NSAVE=20600 IRREG=0 IFITER=99 NNODES= 8 NUMR 20385 NUMS 20385 NUML 20571 RS 10.805 RL 1.500 RMAX -1.00000000 RMIN 3.00000000 RSCALE 3.09000000 RMAX -1.00000000 RMIN 3.09000000 RSCALE 3.18270000 RMAX -1.00000000 RMIN 3.18270000 RSCALE 3.27818100 RMAX -1.00000000 RMIN 3.27818100 RSCALE 3.37652643 RMAX -1.00000000 RMIN 3.37652643 RSCALE 3.47782222 DEL -0.98002892 RSCALE 3.47782222 DEL -0.93608624 RSCALE 3.51191230 DEL -0.88122877 RSCALE 3.54633654 DEL -0.81254182 RSCALE 3.58109820 DEL -0.72583879 RSCALE 3.61620061 DEL -0.61489841 RSCALE 3.65164709 DEL -0.47007489 RSCALE 3.68744102 DEL -0.27558448 RSCALE 3.72358582 DEL -0.00372048 RSCALE 3.76008490 DEL 0.00071720 RSCALE 3.76058440 DEL -0.00000155 RSCALE 3.76050367 DEL 0.00000000 RSCALE 3.76050384 CNORM= 9.98705E-01 0.0500 5.794E-05 X 0.1000 6.584E-04 X 0.1500 2.374E-03 IX 0.2000 5.349E-03 I X 0.2500 9.310E-03 I X 0.3000 1.374E-02 I X 0.3500 1.806E-02 I X 0.4000 2.174E-02 I X 0.4500 2.440E-02 I X 0.5000 2.578E-02 I X 0.5500 2.578E-02 I X 0.6000 2.443E-02 I X 0.6500 2.185E-02 I X 0.7000 1.820E-02 I X 0.7500 1.373E-02 I X 0.8000 8.665E-03 I X 0.8500 3.248E-03 IX 0.9000 -2.294E-03 XI 0.9500 -7.756E-03 X I 1.0000 -1.296E-02 X I 1.1000 -2.205E-02 X I 1.2000 -2.875E-02 X I 1.3000 -3.268E-02 X I 1.4000 -3.381E-02 X I 1.5000 -3.236E-02 X I 1.6000 -2.869E-02 X I 1.7000 -2.326E-02 X I 1.8000 -1.654E-02 X I 1.9000 -8.996E-03 X I 2.0000 -1.038E-03 X 2.1000 6.968E-03 I X 2.2000 1.472E-02 I X 2.3000 2.197E-02 I X 2.4000 2.855E-02 I X 2.5000 3.431E-02 I X 2.6000 3.917E-02 I X 2.7000 4.308E-02 I X 2.8000 4.604E-02 I X 2.9000 4.804E-02 I X 3.0000 4.912E-02 I X 3.1000 4.932E-02 I X 3.2000 4.871E-02 I X 3.3000 4.734E-02 I X 3.4000 4.529E-02 I X 3.5000 4.263E-02 I X 3.6000 3.942E-02 I X 3.7000 3.575E-02 I X 3.8000 3.167E-02 I X 3.9000 2.726E-02 I X 4.0000 2.258E-02 I X 4.1000 1.768E-02 I X 4.2000 1.263E-02 I X 4.3000 7.467E-03 I X 4.4000 2.247E-03 IX 4.5000 -2.992E-03 XI 4.6000 -8.209E-03 X I 4.7000 -1.337E-02 X I 4.8000 -1.844E-02 X I 4.9000 -2.340E-02 X I 5.0000 -2.821E-02 X I 5.2000 -3.733E-02 X I 5.4000 -4.564E-02 X I 5.6000 -5.305E-02 X I 5.8000 -5.947E-02 X I 6.0000 -6.486E-02 X I 6.2000 -6.918E-02 X I 6.4000 -7.242E-02 X I 6.6000 -7.458E-02 X I 6.8000 -7.570E-02 X I 7.0000 -7.578E-02 X I 7.2000 -7.488E-02 X I 7.4000 -7.305E-02 X I 7.6000 -7.032E-02 X I 7.8000 -6.676E-02 X I 8.0000 -6.245E-02 X I 8.2000 -5.743E-02 X I 8.4000 -5.179E-02 X I 8.6000 -4.559E-02 X I 8.8000 -3.892E-02 X I 9.0000 -3.185E-02 X I 9.2000 -2.446E-02 X I 9.4000 -1.682E-02 X I 9.6000 -9.026E-03 X I 9.8000 -1.141E-03 X 10.0000 6.755E-03 I X 10.2500 1.653E-02 I X 10.5000 2.607E-02 I X 10.7500 3.524E-02 I X 11.0000 4.392E-02 I X 11.2500 5.200E-02 I X 11.5000 5.939E-02 I X 11.7500 6.600E-02 I X 12.0000 7.176E-02 I X 12.2500 7.661E-02 I X 12.5000 8.050E-02 I X 12.7500 8.340E-02 I X 13.0000 8.529E-02 I X 13.2500 8.617E-02 I X 13.5000 8.605E-02 I X 13.7500 8.494E-02 I X 14.0000 8.287E-02 I X 14.2500 7.987E-02 I X 14.5000 7.601E-02 I X 14.7500 7.132E-02 I X 15.0000 6.589E-02 I X 15.5000 5.302E-02 I X 16.0000 3.802E-02 I X 16.5000 2.154E-02 I X 17.0000 4.231E-03 IX 17.5000 -1.323E-02 X I 18.0000 -3.023E-02 X I 18.5000 -4.618E-02 X I 19.0000 -6.059E-02 X I 19.5000 -7.302E-02 X I 20.0000 -8.314E-02 X I 20.5000 -9.071E-02 X I 21.0000 -9.556E-02 X I 21.5000 -9.763E-02 X I 22.0000 -9.693E-02 X I 22.5000 -9.356E-02 X I 23.0000 -8.768E-02 X I 23.5000 -7.951E-02 X I 24.0000 -6.932E-02 X I 24.5000 -5.741E-02 X I 25.0000 -4.412E-02 X I 25.5000 -2.978E-02 X I 26.0000 -1.476E-02 X I 26.5000 5.911E-04 X 27.0000 1.593E-02 I X 27.5000 3.093E-02 I X 28.0000 4.530E-02 I X 28.5000 5.874E-02 I X 29.0000 7.103E-02 I X 29.5000 8.196E-02 I X 30.0000 9.134E-02 I X 31.0000 1.050E-01 I X 32.0000 1.113E-01 I X 33.0000 1.103E-01 I X 34.0000 1.023E-01 I X 35.0000 8.806E-02 I X 36.0000 6.876E-02 I X 37.0000 4.567E-02 I X 38.0000 2.016E-02 I X 39.0000 -6.365E-03 X I 40.0000 -3.260E-02 X I 41.0000 -5.734E-02 X I 42.0000 -7.959E-02 X I 43.0000 -9.852E-02 X I 44.0000 -1.135E-01 X I 45.0000 -1.242E-01 X I 46.0000 -1.304E-01 X I 47.0000 -1.321E-01 X I 48.0000 -1.294E-01 X I 49.0000 -1.226E-01 X I 50.0000 -1.122E-01 X I 52.0000 -8.216E-02 X I 54.0000 -4.364E-02 X I 56.0000 -9.937E-04 X 58.0000 4.180E-02 I X 60.0000 8.152E-02 I X 62.0000 1.158E-01 I X 64.0000 1.434E-01 I X 66.0000 1.635E-01 I X 68.0000 1.762E-01 I X 70.0000 1.822E-01 I X 72.0000 1.822E-01 I X 74.0000 1.774E-01 I X 76.0000 1.688E-01 I X 78.0000 1.575E-01 I X 80.0000 1.444E-01 I X 82.0000 1.304E-01 I X 84.0000 1.162E-01 I X 86.0000 1.022E-01 I X 88.0000 8.893E-02 I X 90.0000 7.658E-02 I X 92.0000 6.532E-02 I X 94.0000 5.523E-02 I X 96.0000 4.632E-02 I X 98.0000 3.855E-02 I X 100.0000 3.186E-02 I X 102.0000 2.615E-02 I X 104.0000 2.133E-02 I X 106.0000 1.730E-02 I X 108.0000 1.395E-02 I X 110.0000 1.119E-02 I X 112.0000 8.932E-03 I X 114.0000 7.095E-03 I X 116.0000 5.610E-03 I X 118.0000 4.417E-03 IX 120.0000 3.463E-03 IX 122.0000 2.705E-03 IX 124.0000 2.105E-03 IX 4.0 0.0 0.0 0.0 n d7 4s13f d7 4s 13f 224613.5 197613.5 FIXEDHF 27000.0 49 28.01 CONFIG=d7 4s13f d7 4s L=3 ELIM= 229263.300 N=13 E= 224613.500 E= -0.04237210 Z=2.0000 L=3.0000 STEP=-.0500 NUM= 21700 NSAVE=21700 IRREG=0 IFITER=99 NNODES= 9 NUMR 21161 NUMS 21161 NUML 21671 RS 27.013 RL 1.500 RMAX -1.00000000 RMIN 4.00000000 RSCALE 4.12000000 RMAX -1.00000000 RMIN 4.12000000 RSCALE 4.24360000 DEL -0.87913182 RSCALE 4.24360000 DEL -0.81321170 RSCALE 4.28519634 DEL -0.73660026 RSCALE 4.32720040 DEL -0.64742101 RSCALE 4.36961620 DEL -0.54331702 RSCALE 4.41244777 DEL -0.42129966 RSCALE 4.45569917 DEL -0.27753702 RSCALE 4.49937453 DEL -0.10705253 RSCALE 4.54347800 DEL 0.01548094 RSCALE 4.57117195 DEL -0.00073271 RSCALE 4.56767308 DEL -0.00000475 RSCALE 4.56783120 DEL 0.00000000 RSCALE 4.56783223 CNORM= 9.98039E-01 0.0500 6.130E-05 X 0.1000 6.933E-04 X 0.1500 2.480E-03 IX 0.2000 5.528E-03 I X 0.2500 9.485E-03 I X 0.3000 1.375E-02 I X 0.3500 1.768E-02 I X 0.4000 2.072E-02 I X 0.4500 2.248E-02 I X 0.5000 2.276E-02 I X 0.5500 2.154E-02 I X 0.6000 1.894E-02 I X 0.6500 1.516E-02 I X 0.7000 1.048E-02 I X 0.7500 5.227E-03 I X 0.8000 -3.073E-04 X 0.8500 -5.829E-03 X I 0.9000 -1.108E-02 X I 0.9500 -1.586E-02 X I 1.0000 -1.998E-02 X I 1.1000 -2.584E-02 X I 1.2000 -2.819E-02 X I 1.3000 -2.713E-02 X I 1.4000 -2.312E-02 X I 1.5000 -1.685E-02 X I 1.6000 -9.087E-03 X I 1.7000 -5.988E-04 X 1.8000 7.943E-03 I X 1.9000 1.597E-02 I X 2.0000 2.306E-02 I X 2.1000 2.890E-02 I X 2.2000 3.331E-02 I X 2.3000 3.619E-02 I X 2.4000 3.754E-02 I X 2.5000 3.744E-02 I X 2.6000 3.599E-02 I X 2.7000 3.334E-02 I X 2.8000 2.966E-02 I X 2.9000 2.512E-02 I X 3.0000 1.991E-02 I X 3.1000 1.420E-02 I X 3.2000 8.162E-03 I X 3.3000 1.940E-03 IX 3.4000 -4.324E-03 XI 3.5000 -1.051E-02 X I 3.6000 -1.650E-02 X I 3.7000 -2.221E-02 X I 3.8000 -2.757E-02 X I 3.9000 -3.251E-02 X I 4.0000 -3.699E-02 X I 4.1000 -4.097E-02 X I 4.2000 -4.442E-02 X I 4.3000 -4.734E-02 X I 4.4000 -4.971E-02 X I 4.5000 -5.153E-02 X I 4.6000 -5.282E-02 X I 4.7000 -5.358E-02 X I 4.8000 -5.384E-02 X I 4.9000 -5.361E-02 X I 5.0000 -5.291E-02 X I 5.2000 -5.024E-02 X I 5.4000 -4.605E-02 X I 5.6000 -4.057E-02 X I 5.8000 -3.404E-02 X I 6.0000 -2.669E-02 X I 6.2000 -1.874E-02 X I 6.4000 -1.040E-02 X I 6.6000 -1.860E-03 XI 6.8000 6.719E-03 I X 7.0000 1.518E-02 I X 7.2000 2.340E-02 I X 7.4000 3.125E-02 I X 7.6000 3.863E-02 I X 7.8000 4.547E-02 I X 8.0000 5.168E-02 I X 8.2000 5.721E-02 I X 8.4000 6.203E-02 I X 8.6000 6.609E-02 I X 8.8000 6.936E-02 I X 9.0000 7.185E-02 I X 9.2000 7.354E-02 I X 9.4000 7.444E-02 I X 9.6000 7.455E-02 I X 9.8000 7.390E-02 I X 10.0000 7.251E-02 I X 10.2500 6.977E-02 I X 10.5000 6.599E-02 I X 10.7500 6.125E-02 I X 11.0000 5.564E-02 I X 11.2500 4.925E-02 I X 11.5000 4.218E-02 I X 11.7500 3.455E-02 I X 12.0000 2.646E-02 I X 12.2500 1.803E-02 I X 12.5000 9.366E-03 I X 12.7500 5.860E-04 X 13.0000 -8.202E-03 X I 13.2500 -1.689E-02 X I 13.5000 -2.538E-02 X I 13.7500 -3.357E-02 X I 14.0000 -4.137E-02 X I 14.2500 -4.870E-02 X I 14.5000 -5.549E-02 X I 14.7500 -6.166E-02 X I 15.0000 -6.717E-02 X I 15.5000 -7.599E-02 X I 16.0000 -8.168E-02 X I 16.5000 -8.410E-02 X I 17.0000 -8.325E-02 X I 17.5000 -7.925E-02 X I 18.0000 -7.235E-02 X I 18.5000 -6.287E-02 X I 19.0000 -5.122E-02 X I 19.5000 -3.784E-02 X I 20.0000 -2.322E-02 X I 20.5000 -7.863E-03 X I 21.0000 7.743E-03 I X 21.5000 2.312E-02 I X 22.0000 3.781E-02 I X 22.5000 5.143E-02 I X 23.0000 6.362E-02 I X 23.5000 7.408E-02 I X 24.0000 8.258E-02 I X 24.5000 8.895E-02 I X 25.0000 9.308E-02 I X 25.5000 9.493E-02 I X 26.0000 9.450E-02 I X 26.5000 9.186E-02 I X 27.0000 8.712E-02 I X 27.5000 8.044E-02 I X 28.0000 7.201E-02 I X 28.5000 6.205E-02 I X 29.0000 5.080E-02 I X 29.5000 3.851E-02 I X 30.0000 2.547E-02 I X 31.0000 -1.844E-03 XI 32.0000 -2.903E-02 X I 33.0000 -5.419E-02 X I 34.0000 -7.570E-02 X I 35.0000 -9.234E-02 X I 36.0000 -1.033E-01 X I 37.0000 -1.081E-01 X I 38.0000 -1.068E-01 X I 39.0000 -9.968E-02 X I 40.0000 -8.738E-02 X I 41.0000 -7.070E-02 X I 42.0000 -5.064E-02 X I 43.0000 -2.824E-02 X I 44.0000 -4.600E-03 XI 45.0000 1.925E-02 I X 46.0000 4.232E-02 I X 47.0000 6.376E-02 I X 48.0000 8.283E-02 I X 49.0000 9.895E-02 I X 50.0000 1.117E-01 I X 52.0000 1.261E-01 I X 54.0000 1.255E-01 I X 56.0000 1.111E-01 I X 58.0000 8.556E-02 I X 60.0000 5.216E-02 I X 62.0000 1.438E-02 I X 64.0000 -2.454E-02 X I 66.0000 -6.183E-02 X I 68.0000 -9.535E-02 X I 70.0000 -1.236E-01 X I 72.0000 -1.459E-01 X I 74.0000 -1.618E-01 X I 76.0000 -1.716E-01 X I 78.0000 -1.758E-01 X I 80.0000 -1.752E-01 X I 82.0000 -1.705E-01 X I 84.0000 -1.627E-01 X I 86.0000 -1.525E-01 X I 88.0000 -1.408E-01 X I 90.0000 -1.283E-01 X I 92.0000 -1.154E-01 X I 94.0000 -1.026E-01 X I 96.0000 -9.037E-02 X I 98.0000 -7.882E-02 X I 100.0000 -6.815E-02 X I 102.0000 -5.845E-02 X I 104.0000 -4.975E-02 X I 106.0000 -4.205E-02 X I 108.0000 -3.530E-02 X I 110.0000 -2.946E-02 X I 112.0000 -2.443E-02 X I 114.0000 -2.016E-02 X I 116.0000 -1.654E-02 X I 118.0000 -1.351E-02 X I 120.0000 -1.097E-02 X I 122.0000 -8.878E-03 X I 124.0000 -7.152E-03 X I 126.0000 -5.737E-03 X I 128.0000 -4.584E-03 XI 130.0000 -3.649E-03 XI 132.0000 -2.895E-03 XI 134.0000 -2.288E-03 XI 136.0000 -1.803E-03 XI HF 1.0 0.0 0.0 0.0 o d6s2 4f d6s2 4f 317148.4 280148.4 FIXEDHF 37000.0 50 28.01 CONFIG=d6s2 4f d6s2 L=3 ELIM= 308650.000 N= 4 E= 280148.400HF E= -0.25972570 Z=2.0000 L=3.0000 STEP=-.0500 NUM= 7800 NSAVE= 7800 IRREG=0 IFITER=99 NNODES= 0 NUMR 7261 NUMS 7261 NUML 7771 RS 27.013 RL 1.500 P0 0.00000000 RSCALE 0.97087379 R 2.37500000 P0 0.00000000 RSCALE 0.94259591 R 2.37500000 P0 0.00000000 RSCALE 0.91514166 R 2.40000000 P0 0.00000000 RSCALE 0.88848705 R 2.40000000 INWARD INTEGRATION STOPS AT 48 ORIGIN ~R**2 CNORM= 1.06292E+00 0.0500 7.132E-05 X 0.1000 2.853E-04 X 0.1500 6.419E-04 X 0.2000 1.141E-03 X 0.2500 1.783E-03 X 0.3000 2.568E-03 X 0.3500 3.495E-03 IX 0.4000 4.565E-03 IX 0.4500 5.777E-03 IX 0.5000 7.132E-03 IX 0.5500 8.630E-03 IX 0.6000 1.027E-02 I X 0.6500 1.205E-02 I X 0.7000 1.398E-02 I X 0.7500 1.605E-02 I X 0.8000 1.826E-02 I X 0.8500 2.061E-02 I X 0.9000 2.311E-02 I X 0.9500 2.575E-02 I X 1.0000 2.853E-02 I X 1.1000 3.452E-02 I X 1.2000 4.108E-02 I X 1.3000 4.821E-02 I X 1.4000 5.592E-02 I X 1.5000 6.419E-02 I X 1.6000 7.303E-02 I X 1.7000 8.245E-02 I X 1.8000 9.243E-02 I X 1.9000 1.030E-01 I X 2.0000 1.141E-01 I X 2.1000 1.258E-01 I X 2.2000 1.381E-01 I X 2.3000 1.509E-01 I X 2.4000 1.643E-01 I X 2.5000 1.649E-01 I X 2.6000 1.663E-01 I X 2.7000 1.686E-01 I X 2.8000 1.717E-01 I X 2.9000 1.753E-01 I X 3.0000 1.795E-01 I X 3.1000 1.842E-01 I X 3.2000 1.892E-01 I X 3.3000 1.946E-01 I X 3.4000 2.003E-01 I X 3.5000 2.063E-01 I X 3.6000 2.124E-01 I X 3.7000 2.187E-01 I X 3.8000 2.251E-01 I X 3.9000 2.316E-01 I X 4.0000 2.382E-01 I X 4.1000 2.448E-01 I X 4.2000 2.513E-01 I X 4.3000 2.579E-01 I X 4.4000 2.644E-01 I X 4.5000 2.708E-01 I X 4.6000 2.771E-01 I X 4.7000 2.833E-01 I X 4.8000 2.893E-01 I X 4.9000 2.952E-01 I X 5.0000 3.010E-01 I X 5.2000 3.119E-01 I X 5.4000 3.220E-01 I X 5.6000 3.312E-01 I X 5.8000 3.394E-01 I X 6.0000 3.467E-01 I X 6.2000 3.530E-01 I X 6.4000 3.582E-01 I X 6.6000 3.623E-01 I X 6.8000 3.655E-01 I X 7.0000 3.676E-01 I X 7.2000 3.688E-01 I X 7.4000 3.690E-01 I X 7.6000 3.683E-01 I X 7.8000 3.667E-01 I X 8.0000 3.643E-01 I X 8.2000 3.612E-01 I X 8.4000 3.573E-01 I X 8.6000 3.528E-01 I X 8.8000 3.476E-01 I X 9.0000 3.419E-01 I X 9.2000 3.357E-01 I X 9.4000 3.291E-01 I X 9.6000 3.220E-01 I X 9.8000 3.147E-01 I X 10.0000 3.070E-01 I X 10.2500 2.970E-01 I X 10.5000 2.868E-01 I X 10.7500 2.763E-01 I X 11.0000 2.657E-01 I X 11.2500 2.550E-01 I X 11.5000 2.443E-01 I X 11.7500 2.336E-01 I X 12.0000 2.230E-01 I X 12.2500 2.126E-01 I X 12.5000 2.023E-01 I X 12.7500 1.922E-01 I X 13.0000 1.824E-01 I X 13.2500 1.728E-01 I X 13.5000 1.635E-01 I X 13.7500 1.546E-01 I X 14.0000 1.459E-01 I X 14.2500 1.375E-01 I X 14.5000 1.295E-01 I X 14.7500 1.218E-01 I X 15.0000 1.144E-01 I X 15.5000 1.007E-01 I X 16.0000 8.828E-02 I X 16.5000 7.709E-02 I X 17.0000 6.709E-02 I X 17.5000 5.819E-02 I X 18.0000 5.031E-02 I X 18.5000 4.337E-02 I X 19.0000 3.729E-02 I X 19.5000 3.197E-02 I X 20.0000 2.734E-02 I X 20.5000 2.333E-02 I X 21.0000 1.986E-02 I X 21.5000 1.687E-02 I X 22.0000 1.430E-02 I X 22.5000 1.210E-02 I X 23.0000 1.021E-02 I X 23.5000 8.607E-03 IX 24.0000 7.241E-03 IX 24.5000 6.082E-03 IX 25.0000 5.100E-03 IX 25.5000 4.270E-03 IX HF 1.0 0.0 0.0 0.0 p d6s2 5f d6s2 5f 327523.2 290523.2 FIXEDHF 37000.0 51 28.01 CONFIG=d6s2 5f d6s2 L=3 ELIM= 308650.000 N= 5 E= 290523.200HF E= -0.16518356 Z=2.0000 L=3.0000 STEP=-.0500 NUM= 10000 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 1 NUMR 9461 NUMS 9461 NUML 9971 RS 27.013 RL 1.500 P0 0.00000000 RSCALE 0.97087379 R 2.17500000 P0 0.00000000 RSCALE 0.94259591 R 2.17500000 P0 0.00000000 RSCALE 0.91514166 R 2.17500000 P0 0.00000000 RSCALE 0.88848705 R 2.17500000 P0 0.00000000 RSCALE 0.86260878 R 2.17500000 P0 0.00000000 RSCALE 0.83748426 R 2.17500000 P0 0.00000000 RSCALE 0.81309151 R 2.17500000 INWARD INTEGRATION STOPS AT 44 ORIGIN ~R**2 CNORM= 1.01459E+00 0.0500 5.903E-05 X 0.1000 2.361E-04 X 0.1500 5.312E-04 X 0.2000 9.444E-04 X 0.2500 1.476E-03 X 0.3000 2.125E-03 X 0.3500 2.892E-03 IX 0.4000 3.778E-03 IX 0.4500 4.781E-03 IX 0.5000 5.903E-03 IX 0.5500 7.142E-03 IX 0.6000 8.500E-03 I X 0.6500 9.975E-03 I X 0.7000 1.157E-02 I X 0.7500 1.328E-02 I X 0.8000 1.511E-02 I X 0.8500 1.706E-02 I X 0.9000 1.912E-02 I X 0.9500 2.131E-02 I X 1.0000 2.361E-02 I X 1.1000 2.857E-02 I X 1.2000 3.400E-02 I X 1.3000 3.990E-02 I X 1.4000 4.628E-02 I X 1.5000 5.312E-02 I X 1.6000 6.044E-02 I X 1.7000 6.823E-02 I X 1.8000 7.650E-02 I X 1.9000 8.523E-02 I X 2.0000 9.444E-02 I X 2.1000 1.041E-01 I X 2.2000 1.143E-01 I X 2.3000 1.149E-01 I X 2.4000 1.162E-01 I X 2.5000 1.183E-01 I X 2.6000 1.209E-01 I X 2.7000 1.241E-01 I X 2.8000 1.276E-01 I X 2.9000 1.315E-01 I X 3.0000 1.356E-01 I X 3.1000 1.400E-01 I X 3.2000 1.445E-01 I X 3.3000 1.492E-01 I X 3.4000 1.540E-01 I X 3.5000 1.588E-01 I X 3.6000 1.636E-01 I X 3.7000 1.683E-01 I X 3.8000 1.730E-01 I X 3.9000 1.777E-01 I X 4.0000 1.821E-01 I X 4.1000 1.865E-01 I X 4.2000 1.906E-01 I X 4.3000 1.945E-01 I X 4.4000 1.983E-01 I X 4.5000 2.017E-01 I X 4.6000 2.049E-01 I X 4.7000 2.079E-01 I X 4.8000 2.105E-01 I X 4.9000 2.128E-01 I X 5.0000 2.148E-01 I X 5.2000 2.178E-01 I X 5.4000 2.194E-01 I X 5.6000 2.195E-01 I X 5.8000 2.182E-01 I X 6.0000 2.155E-01 I X 6.2000 2.113E-01 I X 6.4000 2.056E-01 I X 6.6000 1.986E-01 I X 6.8000 1.903E-01 I X 7.0000 1.807E-01 I X 7.2000 1.700E-01 I X 7.4000 1.582E-01 I X 7.6000 1.454E-01 I X 7.8000 1.317E-01 I X 8.0000 1.173E-01 I X 8.2000 1.021E-01 I X 8.4000 8.633E-02 I X 8.6000 7.008E-02 I X 8.8000 5.345E-02 I X 9.0000 3.653E-02 I X 9.2000 1.942E-02 I X 9.4000 2.208E-03 X 9.6000 -1.501E-02 X I 9.8000 -3.216E-02 X I 10.0000 -4.916E-02 X I 10.2500 -7.008E-02 X I 10.5000 -9.052E-02 X I 10.7500 -1.104E-01 X I 11.0000 -1.295E-01 X I 11.2500 -1.478E-01 X I 11.5000 -1.652E-01 X I 11.7500 -1.817E-01 X I 12.0000 -1.972E-01 X I 12.2500 -2.117E-01 X I 12.5000 -2.250E-01 X I 12.7500 -2.373E-01 X I 13.0000 -2.485E-01 X I 13.2500 -2.585E-01 X I 13.5000 -2.675E-01 X I 13.7500 -2.754E-01 X I 14.0000 -2.821E-01 X I 14.2500 -2.879E-01 X I 14.5000 -2.926E-01 X I 14.7500 -2.964E-01 X I 15.0000 -2.992E-01 X I 15.5000 -3.021E-01 X I 16.0000 -3.019E-01 X I 16.5000 -2.987E-01 X I 17.0000 -2.931E-01 X I 17.5000 -2.854E-01 X I 18.0000 -2.759E-01 X I 18.5000 -2.651E-01 X I 19.0000 -2.532E-01 X I 19.5000 -2.406E-01 X I 20.0000 -2.274E-01 X I 20.5000 -2.140E-01 X I 21.0000 -2.004E-01 X I 21.5000 -1.870E-01 X I 22.0000 -1.738E-01 X I 22.5000 -1.610E-01 X I 23.0000 -1.486E-01 X I 23.5000 -1.367E-01 X I 24.0000 -1.254E-01 X I 24.5000 -1.148E-01 X I 25.0000 -1.047E-01 X I 25.5000 -9.525E-02 X I 26.0000 -8.646E-02 X I 26.5000 -7.829E-02 X I 27.0000 -7.074E-02 X I 27.5000 -6.378E-02 X I 28.0000 -5.739E-02 X I 28.5000 -5.153E-02 X I 29.0000 -4.619E-02 X I 29.5000 -4.132E-02 X I 30.0000 -3.691E-02 X I 31.0000 -2.930E-02 X I 32.0000 -2.311E-02 X I 33.0000 -1.813E-02 X I 34.0000 -1.414E-02 X I 35.0000 -1.098E-02 X I 36.0000 -8.480E-03 X I 37.0000 -6.522E-03 XI 38.0000 -4.996E-03 XI 39.0000 -3.812E-03 XI HF 1.0 0.0 0.0 0.0 q d6s2 6f d6s2 6f 333128.2 296128.2 FIXEDHF 37000.0 52 28.01 CONFIG=d6s2 6f d6s2 L=3 ELIM= 308650.000 N= 6 E= 296128.200HF E= -0.11410704 Z=2.0000 L=3.0000 STEP=-.0500 NUM= 12300 NSAVE=12300 IRREG=0 IFITER=99 NNODES= 2 NUMR 11761 NUMS 11761 NUML 12271 RS 27.013 RL 1.500 P0 0.00000000 RSCALE 0.97087379 R 2.07500000 P0 0.00000000 RSCALE 0.94259591 R 2.07500000 P0 0.00000000 RSCALE 0.91514166 R 2.07500000 P0 0.00000000 RSCALE 0.88848705 R 2.07500000 P0 0.00000000 RSCALE 0.86260878 R 2.07500000 P0 0.00000000 RSCALE 0.83748426 R 2.07500000 P0 0.00000000 RSCALE 0.81309151 R 2.07500000 P0 0.00000000 RSCALE 0.78940923 R 2.07500000 P0 0.00000000 RSCALE 0.76641673 R 2.07500000 INWARD INTEGRATION STOPS AT 42 ORIGIN ~R**2 CNORM= 1.00766E+00 0.0500 4.801E-05 X 0.1000 1.921E-04 X 0.1500 4.321E-04 X 0.2000 7.682E-04 X 0.2500 1.200E-03 X 0.3000 1.728E-03 X 0.3500 2.353E-03 X 0.4000 3.073E-03 IX 0.4500 3.889E-03 IX 0.5000 4.801E-03 IX 0.5500 5.810E-03 IX 0.6000 6.914E-03 IX 0.6500 8.114E-03 I X 0.7000 9.411E-03 I X 0.7500 1.080E-02 I X 0.8000 1.229E-02 I X 0.8500 1.388E-02 I X 0.9000 1.556E-02 I X 0.9500 1.733E-02 I X 1.0000 1.921E-02 I X 1.1000 2.324E-02 I X 1.2000 2.766E-02 I X 1.3000 3.246E-02 I X 1.4000 3.764E-02 I X 1.5000 4.321E-02 I X 1.6000 4.917E-02 I X 1.7000 5.550E-02 I X 1.8000 6.222E-02 I X 1.9000 6.933E-02 I X 2.0000 7.682E-02 I X 2.1000 8.469E-02 I X 2.2000 8.512E-02 I X 2.3000 8.620E-02 I X 2.4000 8.785E-02 I X 2.5000 8.995E-02 I X 2.6000 9.245E-02 I X 2.7000 9.528E-02 I X 2.8000 9.837E-02 I X 2.9000 1.017E-01 I X 3.0000 1.051E-01 I X 3.1000 1.087E-01 I X 3.2000 1.124E-01 I X 3.3000 1.161E-01 I X 3.4000 1.198E-01 I X 3.5000 1.235E-01 I X 3.6000 1.271E-01 I X 3.7000 1.307E-01 I X 3.8000 1.341E-01 I X 3.9000 1.374E-01 I X 4.0000 1.405E-01 I X 4.1000 1.434E-01 I X 4.2000 1.461E-01 I X 4.3000 1.485E-01 I X 4.4000 1.508E-01 I X 4.5000 1.527E-01 I X 4.6000 1.544E-01 I X 4.7000 1.558E-01 I X 4.8000 1.569E-01 I X 4.9000 1.577E-01 I X 5.0000 1.581E-01 I X 5.2000 1.581E-01 I X 5.4000 1.567E-01 I X 5.6000 1.539E-01 I X 5.8000 1.498E-01 I X 6.0000 1.444E-01 I X 6.2000 1.378E-01 I X 6.4000 1.299E-01 I X 6.6000 1.209E-01 I X 6.8000 1.109E-01 I X 7.0000 9.988E-02 I X 7.2000 8.804E-02 I X 7.4000 7.546E-02 I X 7.6000 6.226E-02 I X 7.8000 4.854E-02 I X 8.0000 3.444E-02 I X 8.2000 2.006E-02 I X 8.4000 5.524E-03 IX 8.6000 -9.054E-03 X I 8.8000 -2.356E-02 X I 9.0000 -3.790E-02 X I 9.2000 -5.196E-02 X I 9.4000 -6.565E-02 X I 9.6000 -7.888E-02 X I 9.8000 -9.156E-02 X I 10.0000 -1.036E-01 X I 10.2500 -1.177E-01 X I 10.5000 -1.307E-01 X I 10.7500 -1.423E-01 X I 11.0000 -1.525E-01 X I 11.2500 -1.614E-01 X I 11.5000 -1.687E-01 X I 11.7500 -1.746E-01 X I 12.0000 -1.789E-01 X I 12.2500 -1.817E-01 X I 12.5000 -1.830E-01 X I 12.7500 -1.828E-01 X I 13.0000 -1.812E-01 X I 13.2500 -1.782E-01 X I 13.5000 -1.739E-01 X I 13.7500 -1.683E-01 X I 14.0000 -1.615E-01 X I 14.2500 -1.536E-01 X I 14.5000 -1.447E-01 X I 14.7500 -1.348E-01 X I 15.0000 -1.241E-01 X I 15.5000 -1.004E-01 X I 16.0000 -7.437E-02 X I 16.5000 -4.667E-02 X I 17.0000 -1.798E-02 X I 17.5000 1.108E-02 I X 18.0000 3.993E-02 I X 18.5000 6.808E-02 I X 19.0000 9.509E-02 I X 19.5000 1.206E-01 I X 20.0000 1.443E-01 I X 20.5000 1.661E-01 I X 21.0000 1.856E-01 I X 21.5000 2.029E-01 I X 22.0000 2.178E-01 I X 22.5000 2.304E-01 I X 23.0000 2.407E-01 I X 23.5000 2.488E-01 I X 24.0000 2.547E-01 I X 24.5000 2.586E-01 I X 25.0000 2.607E-01 I X 25.5000 2.610E-01 I X 26.0000 2.597E-01 I X 26.5000 2.570E-01 I X 27.0000 2.530E-01 I X 27.5000 2.479E-01 I X 28.0000 2.418E-01 I X 28.5000 2.350E-01 I X 29.0000 2.274E-01 I X 29.5000 2.193E-01 I X 30.0000 2.108E-01 I X 31.0000 1.930E-01 I X 32.0000 1.746E-01 I X 33.0000 1.564E-01 I X 34.0000 1.388E-01 I X 35.0000 1.221E-01 I X 36.0000 1.066E-01 I X 37.0000 9.242E-02 I X 38.0000 7.958E-02 I X 39.0000 6.810E-02 I X 40.0000 5.794E-02 I X 41.0000 4.904E-02 I X 42.0000 4.129E-02 I X 43.0000 3.460E-02 I X 44.0000 2.887E-02 I X 45.0000 2.398E-02 I X 46.0000 1.984E-02 I X 47.0000 1.636E-02 I X 48.0000 1.344E-02 I X 49.0000 1.100E-02 I X 50.0000 8.977E-03 I X 52.0000 5.923E-03 IX 54.0000 3.865E-03 IX HF 1.0 0.0 0.0 0.0 r d6s2 7f d6s2 7f 336488.0 299488.0 FIXEDHF 37000.0 53 28.01 CONFIG=d6s2 7f d6s2 L=3 ELIM= 308650.000 N= 7 E= 299488.000HF E= -0.08349029 Z=2.0000 L=3.0000 STEP=-.0500 NUM= 14700 NSAVE=14700 IRREG=0 IFITER=99 NNODES= 3 NUMR 14161 NUMS 14161 NUML 14671 RS 27.013 RL 1.500 P0 0.00000000 RSCALE 0.97087379 R 2.02500000 P0 0.00000000 RSCALE 0.94259591 R 2.02500000 P0 0.00000000 RSCALE 0.91514166 R 2.02500000 P0 0.00000000 RSCALE 0.88848705 R 2.02500000 P0 0.00000000 RSCALE 0.86260878 R 2.02500000 P0 0.00000000 RSCALE 0.83748426 R 2.02500000 P0 0.00000000 RSCALE 0.81309151 R 2.02500000 P0 0.00000000 RSCALE 0.78940923 R 2.02500000 P0 0.00000000 RSCALE 0.76641673 R 2.02500000 INWARD INTEGRATION STOPS AT 41 ORIGIN ~R**2 CNORM= 1.00470E+00 0.0500 3.901E-05 X 0.1000 1.561E-04 X 0.1500 3.511E-04 X 0.2000 6.242E-04 X 0.2500 9.753E-04 X 0.3000 1.404E-03 X 0.3500 1.912E-03 X 0.4000 2.497E-03 IX 0.4500 3.160E-03 IX 0.5000 3.901E-03 IX 0.5500 4.721E-03 IX 0.6000 5.618E-03 IX 0.6500 6.593E-03 I X 0.7000 7.647E-03 I X 0.7500 8.778E-03 I X 0.8000 9.987E-03 I X 0.8500 1.127E-02 I X 0.9000 1.264E-02 I X 0.9500 1.408E-02 I X 1.0000 1.561E-02 I X 1.1000 1.888E-02 I X 1.2000 2.247E-02 I X 1.3000 2.637E-02 I X 1.4000 3.059E-02 I X 1.5000 3.511E-02 I X 1.6000 3.995E-02 I X 1.7000 4.510E-02 I X 1.8000 5.056E-02 I X 1.9000 5.634E-02 I X 2.0000 6.242E-02 I X 2.1000 6.570E-02 I X 2.2000 6.635E-02 I X 2.3000 6.751E-02 I X 2.4000 6.908E-02 I X 2.5000 7.099E-02 I X 2.6000 7.319E-02 I X 2.7000 7.563E-02 I X 2.8000 7.825E-02 I X 2.9000 8.102E-02 I X 3.0000 8.390E-02 I X 3.1000 8.685E-02 I X 3.2000 8.983E-02 I X 3.3000 9.282E-02 I X 3.4000 9.578E-02 I X 3.5000 9.869E-02 I X 3.6000 1.015E-01 I X 3.7000 1.043E-01 I X 3.8000 1.069E-01 I X 3.9000 1.093E-01 I X 4.0000 1.116E-01 I X 4.1000 1.137E-01 I X 4.2000 1.156E-01 I X 4.3000 1.173E-01 I X 4.4000 1.187E-01 I X 4.5000 1.199E-01 I X 4.6000 1.209E-01 I X 4.7000 1.216E-01 I X 4.8000 1.220E-01 I X 4.9000 1.221E-01 I X 5.0000 1.220E-01 I X 5.2000 1.208E-01 I X 5.4000 1.185E-01 I X 5.6000 1.150E-01 I X 5.8000 1.103E-01 I X 6.0000 1.046E-01 I X 6.2000 9.783E-02 I X 6.4000 9.007E-02 I X 6.6000 8.142E-02 I X 6.8000 7.196E-02 I X 7.0000 6.180E-02 I X 7.2000 5.104E-02 I X 7.4000 3.979E-02 I X 7.6000 2.816E-02 I X 7.8000 1.626E-02 I X 8.0000 4.215E-03 IX 8.2000 -7.871E-03 X I 8.4000 -1.989E-02 X I 8.6000 -3.172E-02 X I 8.8000 -4.329E-02 X I 9.0000 -5.447E-02 X I 9.2000 -6.520E-02 X I 9.4000 -7.537E-02 X I 9.6000 -8.493E-02 X I 9.8000 -9.380E-02 X I 10.0000 -1.019E-01 X I 10.2500 -1.109E-01 X I 10.5000 -1.186E-01 X I 10.7500 -1.249E-01 X I 11.0000 -1.298E-01 X I 11.2500 -1.331E-01 X I 11.5000 -1.350E-01 X I 11.7500 -1.355E-01 X I 12.0000 -1.345E-01 X I 12.2500 -1.321E-01 X I 12.5000 -1.284E-01 X I 12.7500 -1.233E-01 X I 13.0000 -1.171E-01 X I 13.2500 -1.098E-01 X I 13.5000 -1.014E-01 X I 13.7500 -9.209E-02 X I 14.0000 -8.196E-02 X I 14.2500 -7.111E-02 X I 14.5000 -5.964E-02 X I 14.7500 -4.766E-02 X I 15.0000 -3.530E-02 X I 15.5000 -9.806E-03 X I 16.0000 1.599E-02 I X 16.5000 4.132E-02 I X 17.0000 6.547E-02 I X 17.5000 8.782E-02 I X 18.0000 1.079E-01 I X 18.5000 1.252E-01 I X 19.0000 1.394E-01 I X 19.5000 1.504E-01 I X 20.0000 1.580E-01 I X 20.5000 1.622E-01 I X 21.0000 1.631E-01 I X 21.5000 1.607E-01 I X 22.0000 1.552E-01 I X 22.5000 1.468E-01 I X 23.0000 1.359E-01 I X 23.5000 1.227E-01 I X 24.0000 1.075E-01 I X 24.5000 9.060E-02 I X 25.0000 7.236E-02 I X 25.5000 5.308E-02 I X 26.0000 3.307E-02 I X 26.5000 1.263E-02 I X 27.0000 -7.978E-03 X I 27.5000 -2.849E-02 X I 28.0000 -4.868E-02 X I 28.5000 -6.833E-02 X I 29.0000 -8.726E-02 X I 29.5000 -1.053E-01 X I 30.0000 -1.224E-01 X I 31.0000 -1.531E-01 X I 32.0000 -1.787E-01 X I 33.0000 -1.990E-01 X I 34.0000 -2.141E-01 X I 35.0000 -2.241E-01 X I 36.0000 -2.293E-01 X I 37.0000 -2.304E-01 X I 38.0000 -2.278E-01 X I 39.0000 -2.222E-01 X I 40.0000 -2.140E-01 X I 41.0000 -2.040E-01 X I 42.0000 -1.925E-01 X I 43.0000 -1.800E-01 X I 44.0000 -1.670E-01 X I 45.0000 -1.538E-01 X I 46.0000 -1.407E-01 X I 47.0000 -1.279E-01 X I 48.0000 -1.156E-01 X I 49.0000 -1.038E-01 X I 50.0000 -9.282E-02 X I 52.0000 -7.313E-02 X I 54.0000 -5.663E-02 X I 56.0000 -4.318E-02 X I 58.0000 -3.248E-02 X I 60.0000 -2.412E-02 X I 62.0000 -1.770E-02 X I 64.0000 -1.286E-02 X I 66.0000 -9.252E-03 X I 68.0000 -6.596E-03 X I 70.0000 -4.664E-03 XI 72.0000 -3.272E-03 XI HF 1.0 0.0 0.0 0.0 s d6s2 8f d6s2 8f 338656.4 301656.4 FIXEDHF 37000.0 54 28.01 CONFIG=d6s2 8f d6s2 L=3 ELIM= 308650.000 N= 8 E= 301656.400HF E= -0.06373038 Z=2.0000 L=3.0000 STEP=-.0500 NUM= 17100 NSAVE=17100 IRREG=0 IFITER=99 NNODES= 4 NUMR 16561 NUMS 16561 NUML 17071 RS 27.013 RL 1.500 P0 0.00000000 RSCALE 0.97087379 R 1.97500000 P0 0.00000000 RSCALE 0.94259591 R 1.97500000 P0 0.00000000 RSCALE 0.91514166 R 1.97500000 P0 0.00000000 RSCALE 0.88848705 R 2.00000000 P0 0.00000000 RSCALE 0.86260878 R 2.00000000 P0 0.00000000 RSCALE 0.83748426 R 2.00000000 P0 0.00000000 RSCALE 0.81309151 R 2.00000000 P0 0.00000000 RSCALE 0.78940923 R 2.00000000 P0 0.00000000 RSCALE 0.76641673 R 2.00000000 P0 0.00000000 RSCALE 0.74409391 R 2.00000000 INWARD INTEGRATION STOPS AT 40 ORIGIN ~R**2 CNORM= 1.00327E+00 0.0500 3.297E-05 X 0.1000 1.319E-04 X 0.1500 2.967E-04 X 0.2000 5.275E-04 X 0.2500 8.242E-04 X 0.3000 1.187E-03 X 0.3500 1.615E-03 X 0.4000 2.110E-03 IX 0.4500 2.670E-03 IX 0.5000 3.297E-03 IX 0.5500 3.989E-03 IX 0.6000 4.747E-03 IX 0.6500 5.571E-03 IX 0.7000 6.461E-03 I X 0.7500 7.417E-03 I X 0.8000 8.439E-03 I X 0.8500 9.527E-03 I X 0.9000 1.068E-02 I X 0.9500 1.190E-02 I X 1.0000 1.319E-02 I X 1.1000 1.596E-02 I X 1.2000 1.899E-02 I X 1.3000 2.229E-02 I X 1.4000 2.585E-02 I X 1.5000 2.967E-02 I X 1.6000 3.376E-02 I X 1.7000 3.811E-02 I X 1.8000 4.272E-02 I X 1.9000 4.760E-02 I X 2.0000 5.275E-02 I X 2.1000 5.302E-02 I X 2.2000 5.372E-02 I X 2.3000 5.481E-02 I X 2.4000 5.622E-02 I X 2.5000 5.790E-02 I X 2.6000 5.981E-02 I X 2.7000 6.190E-02 I X 2.8000 6.412E-02 I X 2.9000 6.646E-02 I X 3.0000 6.887E-02 I X 3.1000 7.132E-02 I X 3.2000 7.379E-02 I X 3.3000 7.625E-02 I X 3.4000 7.867E-02 I X 3.5000 8.103E-02 I X 3.6000 8.332E-02 I X 3.7000 8.550E-02 I X 3.8000 8.756E-02 I X 3.9000 8.949E-02 I X 4.0000 9.126E-02 I X 4.1000 9.286E-02 I X 4.2000 9.427E-02 I X 4.3000 9.549E-02 I X 4.4000 9.650E-02 I X 4.5000 9.730E-02 I X 4.6000 9.787E-02 I X 4.7000 9.820E-02 I X 4.8000 9.830E-02 I X 4.9000 9.815E-02 I X 5.0000 9.775E-02 I X 5.2000 9.620E-02 I X 5.4000 9.365E-02 I X 5.6000 9.010E-02 I X 5.8000 8.559E-02 I X 6.0000 8.016E-02 I X 6.2000 7.387E-02 I X 6.4000 6.678E-02 I X 6.6000 5.898E-02 I X 6.8000 5.054E-02 I X 7.0000 4.157E-02 I X 7.2000 3.217E-02 I X 7.4000 2.243E-02 I X 7.6000 1.245E-02 I X 7.8000 2.356E-03 IX 8.0000 -7.767E-03 X I 8.2000 -1.781E-02 X I 8.4000 -2.768E-02 X I 8.6000 -3.729E-02 X I 8.8000 -4.653E-02 X I 9.0000 -5.534E-02 X I 9.2000 -6.364E-02 X I 9.4000 -7.135E-02 X I 9.6000 -7.841E-02 X I 9.8000 -8.478E-02 X I 10.0000 -9.041E-02 X I 10.2500 -9.634E-02 X I 10.5000 -1.010E-01 X I 10.7500 -1.043E-01 X I 11.0000 -1.063E-01 X I 11.2500 -1.070E-01 X I 11.5000 -1.064E-01 X I 11.7500 -1.044E-01 X I 12.0000 -1.013E-01 X I 12.2500 -9.693E-02 X I 12.5000 -9.148E-02 X I 12.7500 -8.501E-02 X I 13.0000 -7.760E-02 X I 13.2500 -6.935E-02 X I 13.5000 -6.037E-02 X I 13.7500 -5.075E-02 X I 14.0000 -4.062E-02 X I 14.2500 -3.008E-02 X I 14.5000 -1.924E-02 X I 14.7500 -8.221E-03 X I 15.0000 2.882E-03 IX 15.5000 2.491E-02 I X 16.0000 4.604E-02 I X 16.5000 6.557E-02 I X 17.0000 8.291E-02 I X 17.5000 9.757E-02 I X 18.0000 1.092E-01 I X 18.5000 1.175E-01 I X 19.0000 1.223E-01 I X 19.5000 1.237E-01 I X 20.0000 1.217E-01 I X 20.5000 1.165E-01 I X 21.0000 1.083E-01 I X 21.5000 9.736E-02 I X 22.0000 8.411E-02 I X 22.5000 6.890E-02 I X 23.0000 5.214E-02 I X 23.5000 3.423E-02 I X 24.0000 1.560E-02 I X 24.5000 -3.347E-03 XI 25.0000 -2.223E-02 X I 25.5000 -4.069E-02 X I 26.0000 -5.840E-02 X I 26.5000 -7.505E-02 X I 27.0000 -9.039E-02 X I 27.5000 -1.042E-01 X I 28.0000 -1.163E-01 X I 28.5000 -1.265E-01 X I 29.0000 -1.348E-01 X I 29.5000 -1.411E-01 X I 30.0000 -1.453E-01 X I 31.0000 -1.477E-01 X I 32.0000 -1.423E-01 X I 33.0000 -1.298E-01 X I 34.0000 -1.114E-01 X I 35.0000 -8.808E-02 X I 36.0000 -6.119E-02 X I 37.0000 -3.197E-02 X I 38.0000 -1.596E-03 X 39.0000 2.884E-02 I X 40.0000 5.840E-02 I X 41.0000 8.629E-02 I X 42.0000 1.119E-01 I X 43.0000 1.347E-01 I X 44.0000 1.545E-01 I X 45.0000 1.711E-01 I X 46.0000 1.844E-01 I X 47.0000 1.944E-01 I X 48.0000 2.014E-01 I X 49.0000 2.054E-01 I X 50.0000 2.068E-01 I X 52.0000 2.028E-01 I X 54.0000 1.917E-01 I X 56.0000 1.758E-01 I X 58.0000 1.571E-01 I X 60.0000 1.374E-01 I X 62.0000 1.178E-01 I X 64.0000 9.935E-02 I X 66.0000 8.250E-02 I X 68.0000 6.756E-02 I X 70.0000 5.465E-02 I X 72.0000 4.370E-02 I X 74.0000 3.458E-02 I X 76.0000 2.710E-02 I X 78.0000 2.105E-02 I X 80.0000 1.622E-02 I X 82.0000 1.240E-02 I X 84.0000 9.409E-03 I X 86.0000 7.092E-03 I X 88.0000 5.312E-03 IX 90.0000 3.955E-03 IX 92.0000 2.928E-03 IX 94.0000 2.156E-03 IX HF 1.0 0.0 0.0 0.0 t d6s2 9f d6s2 9f 340137.0 303137.0 FIXEDHF 37000.0 55 28.01 CONFIG=d6s2 9f d6s2 L=3 ELIM= 308650.000 N= 9 E= 303137.000HF E= -0.05023816 Z=2.0000 L=3.0000 STEP=-.0500 NUM= 19700 NSAVE=19700 IRREG=0 IFITER=99 NNODES= 5 NUMR 19161 NUMS 19161 NUML 19671 RS 27.013 RL 1.500 P0 0.00000000 RSCALE 0.97087379 R 1.95000000 P0 0.00000000 RSCALE 0.94259591 R 1.95000000 P0 0.00000000 RSCALE 0.91514166 R 1.97500000 P0 0.00000000 RSCALE 0.88848705 R 1.97500000 P0 0.00000000 RSCALE 0.86260878 R 1.97500000 P0 0.00000000 RSCALE 0.83748426 R 1.97500000 P0 0.00000000 RSCALE 0.81309151 R 1.97500000 P0 0.00000000 RSCALE 0.78940923 R 1.97500000 P0 0.00000000 RSCALE 0.76641673 R 1.97500000 P0 0.00000000 RSCALE 0.74409391 R 1.97500000 INWARD INTEGRATION STOPS AT 40 ORIGIN ~R**2 CNORM= 1.00248E+00 0.0500 2.730E-05 X 0.1000 1.092E-04 X 0.1500 2.457E-04 X 0.2000 4.368E-04 X 0.2500 6.826E-04 X 0.3000 9.829E-04 X 0.3500 1.338E-03 X 0.4000 1.747E-03 IX 0.4500 2.212E-03 IX 0.5000 2.730E-03 IX 0.5500 3.304E-03 IX 0.6000 3.932E-03 IX 0.6500 4.614E-03 IX 0.7000 5.351E-03 I X 0.7500 6.143E-03 I X 0.8000 6.990E-03 I X 0.8500 7.891E-03 I X 0.9000 8.846E-03 I X 0.9500 9.856E-03 I X 1.0000 1.092E-02 I X 1.1000 1.321E-02 I X 1.2000 1.573E-02 I X 1.3000 1.846E-02 I X 1.4000 2.141E-02 I X 1.5000 2.457E-02 I X 1.6000 2.796E-02 I X 1.7000 3.156E-02 I X 1.8000 3.538E-02 I X 1.9000 3.943E-02 I X 2.0000 4.368E-02 I X 2.1000 4.398E-02 I X 2.2000 4.465E-02 I X 2.3000 4.564E-02 I X 2.4000 4.690E-02 I X 2.5000 4.837E-02 I X 2.6000 5.003E-02 I X 2.7000 5.182E-02 I X 2.8000 5.374E-02 I X 2.9000 5.573E-02 I X 3.0000 5.777E-02 I X 3.1000 5.985E-02 I X 3.2000 6.193E-02 I X 3.3000 6.400E-02 I X 3.4000 6.602E-02 I X 3.5000 6.799E-02 I X 3.6000 6.988E-02 I X 3.7000 7.168E-02 I X 3.8000 7.337E-02 I X 3.9000 7.493E-02 I X 4.0000 7.635E-02 I X 4.1000 7.762E-02 I X 4.2000 7.872E-02 I X 4.3000 7.965E-02 I X 4.4000 8.040E-02 I X 4.5000 8.095E-02 I X 4.6000 8.131E-02 I X 4.7000 8.146E-02 I X 4.8000 8.140E-02 I X 4.9000 8.113E-02 I X 5.0000 8.064E-02 I X 5.2000 7.901E-02 I X 5.4000 7.651E-02 I X 5.6000 7.316E-02 I X 5.8000 6.898E-02 I X 6.0000 6.403E-02 I X 6.2000 5.835E-02 I X 6.4000 5.202E-02 I X 6.6000 4.509E-02 I X 6.8000 3.767E-02 I X 7.0000 2.982E-02 I X 7.2000 2.165E-02 I X 7.4000 1.323E-02 I X 7.6000 4.676E-03 IX 7.8000 -3.931E-03 XI 8.0000 -1.250E-02 X I 8.2000 -2.093E-02 X I 8.4000 -2.915E-02 X I 8.6000 -3.707E-02 X I 8.8000 -4.461E-02 X I 9.0000 -5.172E-02 X I 9.2000 -5.831E-02 X I 9.4000 -6.434E-02 X I 9.6000 -6.975E-02 X I 9.8000 -7.450E-02 X I 10.0000 -7.856E-02 X I 10.2500 -8.262E-02 X I 10.5000 -8.551E-02 X I 10.7500 -8.722E-02 X I 11.0000 -8.774E-02 X I 11.2500 -8.709E-02 X I 11.5000 -8.529E-02 X I 11.7500 -8.240E-02 X I 12.0000 -7.845E-02 X I 12.2500 -7.353E-02 X I 12.5000 -6.770E-02 X I 12.7500 -6.106E-02 X I 13.0000 -5.370E-02 X I 13.2500 -4.571E-02 X I 13.5000 -3.720E-02 X I 13.7500 -2.827E-02 X I 14.0000 -1.902E-02 X I 14.2500 -9.573E-03 X I 14.5000 -1.859E-05 X 14.7500 9.536E-03 I X 15.0000 1.899E-02 I X 15.5000 3.724E-02 I X 16.0000 5.402E-02 I X 16.5000 6.875E-02 I X 17.0000 8.094E-02 I X 17.5000 9.023E-02 I X 18.0000 9.640E-02 I X 18.5000 9.933E-02 I X 19.0000 9.901E-02 I X 19.5000 9.556E-02 I X 20.0000 8.917E-02 I X 20.5000 8.011E-02 I X 21.0000 6.873E-02 I X 21.5000 5.540E-02 I X 22.0000 4.056E-02 I X 22.5000 2.464E-02 I X 23.0000 8.071E-03 I X 23.5000 -8.700E-03 X I 24.0000 -2.526E-02 X I 24.5000 -4.122E-02 X I 25.0000 -5.622E-02 X I 25.5000 -6.995E-02 X I 26.0000 -8.215E-02 X I 26.5000 -9.259E-02 X I 27.0000 -1.011E-01 X I 27.5000 -1.075E-01 X I 28.0000 -1.119E-01 X I 28.5000 -1.140E-01 X I 29.0000 -1.140E-01 X I 29.5000 -1.120E-01 X I 30.0000 -1.079E-01 X I 31.0000 -9.427E-02 X I 32.0000 -7.440E-02 X I 33.0000 -4.986E-02 X I 34.0000 -2.233E-02 X I 35.0000 6.480E-03 I X 36.0000 3.495E-02 I X 37.0000 6.164E-02 I X 38.0000 8.533E-02 I X 39.0000 1.050E-01 I X 40.0000 1.201E-01 I X 41.0000 1.301E-01 I X 42.0000 1.350E-01 I X 43.0000 1.346E-01 I X 44.0000 1.294E-01 I X 45.0000 1.198E-01 I X 46.0000 1.062E-01 I X 47.0000 8.934E-02 I X 48.0000 6.985E-02 I X 49.0000 4.842E-02 I X 50.0000 2.570E-02 I X 52.0000 -2.109E-02 X I 54.0000 -6.610E-02 X I 56.0000 -1.060E-01 X I 58.0000 -1.386E-01 X I 60.0000 -1.629E-01 X I 62.0000 -1.787E-01 X I 64.0000 -1.866E-01 X I 66.0000 -1.875E-01 X I 68.0000 -1.828E-01 X I 70.0000 -1.736E-01 X I 72.0000 -1.613E-01 X I 74.0000 -1.471E-01 X I 76.0000 -1.320E-01 X I 78.0000 -1.166E-01 X I 80.0000 -1.016E-01 X I 82.0000 -8.754E-02 X I 84.0000 -7.456E-02 X I 86.0000 -6.287E-02 X I 88.0000 -5.251E-02 X I 90.0000 -4.348E-02 X I 92.0000 -3.572E-02 X I 94.0000 -2.912E-02 X I 96.0000 -2.357E-02 X I 98.0000 -1.895E-02 X I 100.0000 -1.515E-02 X I 102.0000 -1.203E-02 X I 104.0000 -9.507E-03 X I 106.0000 -7.471E-03 X I 108.0000 -5.843E-03 X I 110.0000 -4.547E-03 XI 112.0000 -3.523E-03 XI 114.0000 -2.718E-03 XI 116.0000 -2.088E-03 XI 0.0 0.0 0.0 0.0 u d8 6h d8 6h 145531.0 128668.8 17000.0 56 28.01 CONFIG=d8 6h d8 L=5 ELIM= 161648.800 N= 6 E= 145531.000 E= -0.14687621 Z=2.0000 L=5.0000 STEP=-.0500 NUM= 10600 NSAVE=10600 IRREG=0 IFITER=99 NNODES= 0 NUMR 10277 NUMS 10277 NUML 10526 RS 16.208 RL 3.750 RMAX 5.00000000 RMIN -1.00000000 RSCALE 4.85436893 RMAX 4.85436893 RMIN -1.00000000 RSCALE 4.71297955 RMAX 4.71297955 RMIN -1.00000000 RSCALE 4.57570830 DEL -7.48520337 RSCALE 4.57570830 DEL -21.34189155 RSCALE 4.62056000 DEL -7.48520337 RSCALE 4.57570830 DEL -4.59588282 RSCALE 4.55147999 DEL -2.03603827 RSCALE 4.51294135 DEL -0.86306148 RSCALE 4.48228865 DEL -0.26247457 RSCALE 4.45973479 DEL -0.04812792 RSCALE 4.44987807 DEL -0.00333095 RSCALE 4.44766491 DEL -0.00004579 RSCALE 4.44750035 DEL -0.00000004 RSCALE 4.44749805 DEL 0.00000000 RSCALE 4.44749805 CNORM= 5.37544E+00 0.0500 5.407E-08 X 0.1000 2.770E-06 X 0.1500 2.540E-05 X 0.2000 1.155E-04 X 0.2500 3.582E-04 X 0.3000 8.737E-04 X 0.3500 1.807E-03 X 0.4000 3.316E-03 X 0.4500 5.557E-03 IX 0.5000 8.673E-03 IX 0.5500 1.279E-02 IX 0.6000 1.800E-02 I X 0.6500 2.437E-02 I X 0.7000 3.193E-02 I X 0.7500 4.069E-02 I X 0.8000 5.063E-02 I X 0.8500 6.169E-02 I X 0.9000 7.381E-02 I X 0.9500 8.690E-02 I X 1.0000 1.009E-01 I X 1.1000 1.309E-01 I X 1.2000 1.631E-01 I X 1.3000 1.965E-01 I X 1.4000 2.301E-01 I X 1.5000 2.632E-01 I X 1.6000 2.952E-01 I X 1.7000 3.255E-01 I X 1.8000 3.537E-01 I X 1.9000 3.796E-01 I X 2.0000 4.028E-01 I X 2.1000 4.235E-01 I X 2.2000 4.414E-01 I X 2.3000 4.567E-01 I X 2.4000 4.694E-01 I X 2.5000 4.797E-01 I X 2.6000 4.876E-01 I X 2.7000 4.935E-01 I X 2.8000 4.973E-01 I X 2.9000 4.994E-01 I X 3.0000 4.998E-01 I X 3.1000 4.987E-01 I X 3.2000 4.964E-01 I X 3.3000 4.928E-01 I X 3.4000 4.883E-01 I X 3.5000 4.829E-01 I X 3.6000 4.768E-01 I X 3.7000 4.700E-01 I X 3.8000 4.626E-01 I X 3.9000 4.549E-01 I X 4.0000 4.467E-01 I X 4.1000 4.383E-01 I X 4.2000 4.297E-01 I X 4.3000 4.210E-01 I X 4.4000 4.121E-01 I X 4.5000 4.032E-01 I X 4.6000 3.942E-01 I X 4.7000 3.854E-01 I X 4.8000 3.765E-01 I X 4.9000 3.678E-01 I X 5.0000 3.591E-01 I X 5.2000 3.422E-01 I X 5.4000 3.260E-01 I X 5.6000 3.104E-01 I X 5.8000 2.956E-01 I X 6.0000 2.815E-01 I X 6.2000 2.683E-01 I X 6.4000 2.558E-01 I X 6.6000 2.440E-01 I X 6.8000 2.330E-01 I X 7.0000 2.226E-01 I X 7.2000 2.129E-01 I X 7.4000 2.039E-01 I X 7.6000 1.954E-01 I X 7.8000 1.874E-01 I X 8.0000 1.800E-01 I X 8.2000 1.730E-01 I X 8.4000 1.665E-01 I X 8.6000 1.604E-01 I X 8.8000 1.547E-01 I X 9.0000 1.493E-01 I X 9.2000 1.442E-01 I X 9.4000 1.395E-01 I X 9.6000 1.350E-01 I X 9.8000 1.307E-01 I X 10.0000 1.267E-01 I X 10.2500 1.220E-01 I X 10.5000 1.176E-01 I X 10.7500 1.134E-01 I X 11.0000 1.095E-01 I X 11.2500 1.058E-01 I X 11.5000 1.022E-01 I X 11.7500 9.884E-02 I X 12.0000 9.561E-02 I X 12.2500 9.251E-02 I X 12.5000 8.953E-02 I X 12.7500 8.665E-02 I X 13.0000 8.387E-02 I X 13.2500 8.118E-02 I X 13.5000 7.857E-02 I X 13.7500 7.603E-02 I X 14.0000 7.357E-02 I X 14.2500 7.116E-02 I X 14.5000 6.882E-02 I X 14.7500 6.654E-02 I X 15.0000 6.432E-02 I X 15.5000 6.003E-02 I X 16.0000 5.595E-02 I X 16.5000 5.207E-02 I X 17.0000 4.838E-02 I X 17.5000 4.487E-02 I X 18.0000 4.155E-02 I X 18.5000 3.840E-02 I X 19.0000 3.543E-02 I X 19.5000 3.264E-02 I X 20.0000 3.001E-02 I X 20.5000 2.754E-02 I X 21.0000 2.524E-02 I X 21.5000 2.309E-02 I X 22.0000 2.108E-02 I X 22.5000 1.922E-02 I X 23.0000 1.750E-02 I X 23.5000 1.591E-02 I X 24.0000 1.443E-02 I X 24.5000 1.308E-02 IX 25.0000 1.184E-02 IX 25.5000 1.069E-02 IX 26.0000 9.650E-03 IX 26.5000 8.696E-03 IX 27.0000 7.826E-03 IX 27.5000 7.034E-03 IX 28.0000 6.314E-03 IX 28.5000 5.661E-03 IX 29.0000 5.069E-03 IX 0.0 0.0 0.0 0.0 v d8 7h d8 7h 148903.8 131903.8 FIXEDHF 17000.0 57 28.01 CONFIG=d8 7h d8 L=5 ELIM= 161648.800 N= 7 E= 148903.800 E= -0.11614099 Z=2.0000 L=5.0000 STEP=-.0500 NUM= 12100 NSAVE=12100 IRREG=0 IFITER=99 NNODES= 1 NUMR 11777 NUMS 11777 NUML 12026 RS 16.208 RL 3.750 DEL 0.03263172 RSCALE 5.00000000 DEL -0.95681971 RSCALE 4.95146508 DEL 0.00872286 RSCALE 4.99839934 DEL 0.00231632 RSCALE 4.99797533 DEL -0.00000764 RSCALE 4.99782202 DEL 0.00000001 RSCALE 4.99782253 CNORM= 1.14030E+00 0.0500 1.424E-08 X 0.1000 7.280E-07 X 0.1500 6.658E-06 X 0.2000 3.017E-05 X 0.2500 9.318E-05 X 0.3000 2.261E-04 X 0.3500 4.650E-04 X 0.4000 8.477E-04 X 0.4500 1.410E-03 X 0.5000 2.184E-03 X 0.5500 3.194E-03 IX 0.6000 4.454E-03 IX 0.6500 5.972E-03 IX 0.7000 7.746E-03 I X 0.7500 9.764E-03 I X 0.8000 1.201E-02 I X 0.8500 1.446E-02 I X 0.9000 1.708E-02 I X 0.9500 1.984E-02 I X 1.0000 2.270E-02 I X 1.1000 2.860E-02 I X 1.2000 3.449E-02 I X 1.3000 4.010E-02 I X 1.4000 4.520E-02 I X 1.5000 4.961E-02 I X 1.6000 5.320E-02 I X 1.7000 5.588E-02 I X 1.8000 5.760E-02 I X 1.9000 5.836E-02 I X 2.0000 5.819E-02 I X 2.1000 5.712E-02 I X 2.2000 5.521E-02 I X 2.3000 5.255E-02 I X 2.4000 4.920E-02 I X 2.5000 4.526E-02 I X 2.6000 4.081E-02 I X 2.7000 3.592E-02 I X 2.8000 3.068E-02 I X 2.9000 2.515E-02 I X 3.0000 1.941E-02 I X 3.1000 1.352E-02 I X 3.2000 7.524E-03 I X 3.3000 1.477E-03 X 3.4000 -4.580E-03 XI 3.5000 -1.061E-02 X I 3.6000 -1.658E-02 X I 3.7000 -2.247E-02 X I 3.8000 -2.825E-02 X I 3.9000 -3.392E-02 X I 4.0000 -3.944E-02 X I 4.1000 -4.482E-02 X I 4.2000 -5.004E-02 X I 4.3000 -5.510E-02 X I 4.4000 -6.000E-02 X I 4.5000 -6.474E-02 X I 4.6000 -6.931E-02 X I 4.7000 -7.372E-02 X I 4.8000 -7.797E-02 X I 4.9000 -8.207E-02 X I 5.0000 -8.602E-02 X I 5.2000 -9.348E-02 X I 5.4000 -1.004E-01 X I 5.6000 -1.068E-01 X I 5.8000 -1.128E-01 X I 6.0000 -1.185E-01 X I 6.2000 -1.237E-01 X I 6.4000 -1.287E-01 X I 6.6000 -1.334E-01 X I 6.8000 -1.379E-01 X I 7.0000 -1.423E-01 X I 7.2000 -1.464E-01 X I 7.4000 -1.505E-01 X I 7.6000 -1.545E-01 X I 7.8000 -1.583E-01 X I 8.0000 -1.621E-01 X I 8.2000 -1.659E-01 X I 8.4000 -1.696E-01 X I 8.6000 -1.733E-01 X I 8.8000 -1.770E-01 X I 9.0000 -1.807E-01 X I 9.2000 -1.843E-01 X I 9.4000 -1.879E-01 X I 9.6000 -1.916E-01 X I 9.8000 -1.952E-01 X I 10.0000 -1.988E-01 X I 10.2500 -2.032E-01 X I 10.5000 -2.076E-01 X I 10.7500 -2.120E-01 X I 11.0000 -2.163E-01 X I 11.2500 -2.205E-01 X I 11.5000 -2.246E-01 X I 11.7500 -2.286E-01 X I 12.0000 -2.325E-01 X I 12.2500 -2.362E-01 X I 12.5000 -2.397E-01 X I 12.7500 -2.431E-01 X I 13.0000 -2.462E-01 X I 13.2500 -2.492E-01 X I 13.5000 -2.519E-01 X I 13.7500 -2.543E-01 X I 14.0000 -2.565E-01 X I 14.2500 -2.585E-01 X I 14.5000 -2.602E-01 X I 14.7500 -2.616E-01 X I 15.0000 -2.627E-01 X I 15.5000 -2.640E-01 X I 16.0000 -2.643E-01 X I 16.5000 -2.635E-01 X I 17.0000 -2.615E-01 X I 17.5000 -2.586E-01 X I 18.0000 -2.548E-01 X I 18.5000 -2.501E-01 X I 19.0000 -2.446E-01 X I 19.5000 -2.385E-01 X I 20.0000 -2.317E-01 X I 20.5000 -2.244E-01 X I 21.0000 -2.167E-01 X I 21.5000 -2.087E-01 X I 22.0000 -2.003E-01 X I 22.5000 -1.918E-01 X I 23.0000 -1.832E-01 X I 23.5000 -1.746E-01 X I 24.0000 -1.659E-01 X I 24.5000 -1.573E-01 X I 25.0000 -1.489E-01 X I 25.5000 -1.405E-01 X I 26.0000 -1.324E-01 X I 26.5000 -1.245E-01 X I 27.0000 -1.168E-01 X I 27.5000 -1.094E-01 X I 28.0000 -1.023E-01 X I 28.5000 -9.551E-02 X I 29.0000 -8.900E-02 X I 29.5000 -8.279E-02 X I 30.0000 -7.689E-02 X I 31.0000 -6.603E-02 X I 32.0000 -5.637E-02 X I 33.0000 -4.787E-02 X I 34.0000 -4.044E-02 X I 35.0000 -3.400E-02 X I 36.0000 -2.845E-02 X I 37.0000 -2.370E-02 X I 38.0000 -1.967E-02 X I 39.0000 -1.626E-02 X I 40.0000 -1.339E-02 X I 41.0000 -1.098E-02 X I 42.0000 -8.982E-03 X I 43.0000 -7.322E-03 X I 44.0000 -5.950E-03 XI 45.0000 -4.821E-03 XI 46.0000 -3.895E-03 XI 47.0000 -3.138E-03 XI 0.0 0.0 0.0 0.0 w d8 8h d8 8h 151003.7 134003.7 FIXEDHF 17000.0 58 28.01 CONFIG=d8 8h d8 L=5 ELIM= 161648.800 N= 8 E= 151003.700 E= -0.09700529 Z=2.0000 L=5.0000 STEP=-.0500 NUM= 13400 NSAVE=13400 IRREG=0 IFITER=99 NNODES= 2 NUMR 13077 NUMS 13077 NUML 13326 RS 16.208 RL 3.750 DEL -2.03581077 RSCALE 5.00000000 DEL -1.09797542 RSCALE 5.04901067 DEL -0.49148189 RSCALE 5.09850175 DEL -0.14378648 RSCALE 5.13860765 DEL -0.02584964 RSCALE 5.15519310 DEL -0.00166431 RSCALE 5.15882834 DEL -0.00002069 RSCALE 5.15907850 DEL -0.00000002 RSCALE 5.15908165 DEL 0.00000000 RSCALE 5.15908165 CNORM= 1.08041E+00 0.0500 3.277E-08 X 0.1000 1.675E-06 X 0.1500 1.531E-05 X 0.2000 6.929E-05 X 0.2500 2.138E-04 X 0.3000 5.181E-04 X 0.3500 1.064E-03 X 0.4000 1.936E-03 X 0.4500 3.215E-03 IX 0.5000 4.968E-03 IX 0.5500 7.247E-03 I X 0.6000 1.008E-02 I X 0.6500 1.348E-02 I X 0.7000 1.744E-02 I X 0.7500 2.192E-02 I X 0.8000 2.687E-02 I X 0.8500 3.224E-02 I X 0.9000 3.794E-02 I X 0.9500 4.391E-02 I X 1.0000 5.005E-02 I X 1.1000 6.252E-02 I X 1.2000 7.468E-02 I X 1.3000 8.592E-02 I X 1.4000 9.572E-02 I X 1.5000 1.037E-01 I X 1.6000 1.096E-01 I X 1.7000 1.133E-01 I X 1.8000 1.147E-01 I X 1.9000 1.139E-01 I X 2.0000 1.109E-01 I X 2.1000 1.060E-01 I X 2.2000 9.920E-02 I X 2.3000 9.085E-02 I X 2.4000 8.112E-02 I X 2.5000 7.024E-02 I X 2.6000 5.843E-02 I X 2.7000 4.589E-02 I X 2.8000 3.282E-02 I X 2.9000 1.939E-02 I X 3.0000 5.758E-03 IX 3.1000 -7.928E-03 X I 3.2000 -2.155E-02 X I 3.3000 -3.499E-02 X I 3.4000 -4.816E-02 X I 3.5000 -6.099E-02 X I 3.6000 -7.341E-02 X I 3.7000 -8.537E-02 X I 3.8000 -9.684E-02 X I 3.9000 -1.078E-01 X I 4.0000 -1.182E-01 X I 4.1000 -1.280E-01 X I 4.2000 -1.373E-01 X I 4.3000 -1.460E-01 X I 4.4000 -1.541E-01 X I 4.5000 -1.617E-01 X I 4.6000 -1.687E-01 X I 4.7000 -1.752E-01 X I 4.8000 -1.812E-01 X I 4.9000 -1.867E-01 X I 5.0000 -1.917E-01 X I 5.2000 -2.004E-01 X I 5.4000 -2.074E-01 X I 5.6000 -2.128E-01 X I 5.8000 -2.169E-01 X I 6.0000 -2.197E-01 X I 6.2000 -2.215E-01 X I 6.4000 -2.223E-01 X I 6.6000 -2.222E-01 X I 6.8000 -2.213E-01 X I 7.0000 -2.198E-01 X I 7.2000 -2.177E-01 X I 7.4000 -2.150E-01 X I 7.6000 -2.119E-01 X I 7.8000 -2.084E-01 X I 8.0000 -2.045E-01 X I 8.2000 -2.003E-01 X I 8.4000 -1.957E-01 X I 8.6000 -1.909E-01 X I 8.8000 -1.858E-01 X I 9.0000 -1.805E-01 X I 9.2000 -1.750E-01 X I 9.4000 -1.693E-01 X I 9.6000 -1.634E-01 X I 9.8000 -1.573E-01 X I 10.0000 -1.510E-01 X I 10.2500 -1.430E-01 X I 10.5000 -1.347E-01 X I 10.7500 -1.261E-01 X I 11.0000 -1.174E-01 X I 11.2500 -1.084E-01 X I 11.5000 -9.929E-02 X I 11.7500 -8.996E-02 X I 12.0000 -8.046E-02 X I 12.2500 -7.081E-02 X I 12.5000 -6.101E-02 X I 12.7500 -5.110E-02 X I 13.0000 -4.108E-02 X I 13.2500 -3.097E-02 X I 13.5000 -2.080E-02 X I 13.7500 -1.058E-02 X I 14.0000 -3.440E-04 X 14.2500 9.897E-03 I X 14.5000 2.012E-02 I X 14.7500 3.029E-02 I X 15.0000 4.039E-02 I X 15.5000 6.030E-02 I X 16.0000 7.967E-02 I X 16.5000 9.833E-02 I X 17.0000 1.161E-01 I X 17.5000 1.329E-01 I X 18.0000 1.486E-01 I X 18.5000 1.630E-01 I X 19.0000 1.762E-01 I X 19.5000 1.881E-01 I X 20.0000 1.985E-01 I X 20.5000 2.076E-01 I X 21.0000 2.153E-01 I X 21.5000 2.216E-01 I X 22.0000 2.266E-01 I X 22.5000 2.303E-01 I X 23.0000 2.328E-01 I X 23.5000 2.341E-01 I X 24.0000 2.343E-01 I X 24.5000 2.334E-01 I X 25.0000 2.316E-01 I X 25.5000 2.289E-01 I X 26.0000 2.255E-01 I X 26.5000 2.213E-01 I X 27.0000 2.166E-01 I X 27.5000 2.112E-01 I X 28.0000 2.055E-01 I X 28.5000 1.993E-01 I X 29.0000 1.928E-01 I X 29.5000 1.861E-01 I X 30.0000 1.791E-01 I X 31.0000 1.649E-01 I X 32.0000 1.505E-01 I X 33.0000 1.364E-01 I X 34.0000 1.226E-01 I X 35.0000 1.096E-01 I X 36.0000 9.728E-02 I X 37.0000 8.587E-02 I X 38.0000 7.538E-02 I X 39.0000 6.584E-02 I X 40.0000 5.722E-02 I X 41.0000 4.950E-02 I X 42.0000 4.265E-02 I X 43.0000 3.659E-02 I X 44.0000 3.127E-02 I X 45.0000 2.662E-02 I X 46.0000 2.258E-02 I X 47.0000 1.910E-02 I X 48.0000 1.610E-02 I X 49.0000 1.353E-02 I X 50.0000 1.133E-02 I X 52.0000 7.889E-03 I X 54.0000 5.436E-03 IX 56.0000 3.710E-03 IX 58.0000 2.510E-03 IX 0.0 0.0 0.0 0.0 x d8 9h d8 9h 152443.6 135443.6 FIXEDHF 17000.0 59 28.01 CONFIG=d8 9h d8 L=5 ELIM= 161648.800 N= 9 E= 152443.600 E= -0.08388396 Z=2.0000 L=5.0000 STEP=-.0500 NUM= 14500 NSAVE=14500 IRREG=0 IFITER=99 NNODES= 3 NUMR 14177 NUMS 14177 NUML 14426 RS 16.208 RL 3.750 RMAX -1.00000000 RMIN 5.00000000 RSCALE 5.15000000 RMAX -1.00000000 RMIN 5.15000000 RSCALE 5.30450000 RMAX -1.00000000 RMIN 5.30450000 RSCALE 5.46363500 DEL -19.96780930 RSCALE 5.46363500 DEL -4.59191545 RSCALE 5.51719028 DEL -3.43320404 RSCALE 5.53318424 DEL -1.55548529 RSCALE 5.58057352 DEL -0.75547669 RSCALE 5.61983038 DEL -0.26972584 RSCALE 5.65690203 DEL -0.06692515 RSCALE 5.67748703 DEL -0.00771833 RSCALE 5.68428018 DEL -0.00024965 RSCALE 5.68516575 DEL -0.00000096 RSCALE 5.68519535 DEL 0.00000000 RSCALE 5.68519546 CNORM= 1.01398E+00 0.0500 2.366E-08 X 0.1000 1.208E-06 X 0.1500 1.101E-05 X 0.2000 4.973E-05 X 0.2500 1.529E-04 X 0.3000 3.691E-04 X 0.3500 7.546E-04 X 0.4000 1.366E-03 X 0.4500 2.256E-03 IX 0.5000 3.466E-03 IX 0.5500 5.022E-03 IX 0.6000 6.937E-03 I X 0.6500 9.204E-03 I X 0.7000 1.180E-02 I X 0.7500 1.470E-02 I X 0.8000 1.786E-02 I X 0.8500 2.121E-02 I X 0.9000 2.469E-02 I X 0.9500 2.825E-02 I X 1.0000 3.182E-02 I X 1.1000 3.871E-02 I X 1.2000 4.490E-02 I X 1.3000 4.997E-02 I X 1.4000 5.363E-02 I X 1.5000 5.570E-02 I X 1.6000 5.609E-02 I X 1.7000 5.481E-02 I X 1.8000 5.194E-02 I X 1.9000 4.762E-02 I X 2.0000 4.203E-02 I X 2.1000 3.537E-02 I X 2.2000 2.787E-02 I X 2.3000 1.973E-02 I X 2.4000 1.117E-02 I X 2.5000 2.386E-03 IX 2.6000 -6.448E-03 X I 2.7000 -1.517E-02 X I 2.8000 -2.364E-02 X I 2.9000 -3.174E-02 X I 3.0000 -3.937E-02 X I 3.1000 -4.646E-02 X I 3.2000 -5.295E-02 X I 3.3000 -5.879E-02 X I 3.4000 -6.396E-02 X I 3.5000 -6.845E-02 X I 3.6000 -7.223E-02 X I 3.7000 -7.533E-02 X I 3.8000 -7.775E-02 X I 3.9000 -7.952E-02 X I 4.0000 -8.065E-02 X I 4.1000 -8.117E-02 X I 4.2000 -8.113E-02 X I 4.3000 -8.054E-02 X I 4.4000 -7.944E-02 X I 4.5000 -7.787E-02 X I 4.6000 -7.586E-02 X I 4.7000 -7.345E-02 X I 4.8000 -7.068E-02 X I 4.9000 -6.756E-02 X I 5.0000 -6.415E-02 X I 5.2000 -5.653E-02 X I 5.4000 -4.805E-02 X I 5.6000 -3.890E-02 X I 5.8000 -2.928E-02 X I 6.0000 -1.932E-02 X I 6.2000 -9.177E-03 X I 6.4000 1.057E-03 X 6.6000 1.128E-02 I X 6.8000 2.142E-02 I X 7.0000 3.142E-02 I X 7.2000 4.122E-02 I X 7.4000 5.078E-02 I X 7.6000 6.008E-02 I X 7.8000 6.908E-02 I X 8.0000 7.777E-02 I X 8.2000 8.613E-02 I X 8.4000 9.415E-02 I X 8.6000 1.018E-01 I X 8.8000 1.092E-01 I X 9.0000 1.161E-01 I X 9.2000 1.228E-01 I X 9.4000 1.290E-01 I X 9.6000 1.349E-01 I X 9.8000 1.405E-01 I X 10.0000 1.457E-01 I X 10.2500 1.516E-01 I X 10.5000 1.571E-01 I X 10.7500 1.619E-01 I X 11.0000 1.662E-01 I X 11.2500 1.700E-01 I X 11.5000 1.731E-01 I X 11.7500 1.758E-01 I X 12.0000 1.778E-01 I X 12.2500 1.793E-01 I X 12.5000 1.802E-01 I X 12.7500 1.806E-01 I X 13.0000 1.804E-01 I X 13.2500 1.796E-01 I X 13.5000 1.783E-01 I X 13.7500 1.765E-01 I X 14.0000 1.741E-01 I X 14.2500 1.711E-01 I X 14.5000 1.676E-01 I X 14.7500 1.636E-01 I X 15.0000 1.591E-01 I X 15.5000 1.487E-01 I X 16.0000 1.364E-01 I X 16.5000 1.224E-01 I X 17.0000 1.070E-01 I X 17.5000 9.025E-02 I X 18.0000 7.248E-02 I X 18.5000 5.389E-02 I X 19.0000 3.469E-02 I X 19.5000 1.511E-02 I X 20.0000 -4.622E-03 XI 20.5000 -2.431E-02 X I 21.0000 -4.376E-02 X I 21.5000 -6.279E-02 X I 22.0000 -8.123E-02 X I 22.5000 -9.895E-02 X I 23.0000 -1.158E-01 X I 23.5000 -1.317E-01 X I 24.0000 -1.466E-01 X I 24.5000 -1.603E-01 X I 25.0000 -1.728E-01 X I 25.5000 -1.842E-01 X I 26.0000 -1.942E-01 X I 26.5000 -2.031E-01 X I 27.0000 -2.107E-01 X I 27.5000 -2.171E-01 X I 28.0000 -2.223E-01 X I 28.5000 -2.264E-01 X I 29.0000 -2.294E-01 X I 29.5000 -2.313E-01 X I 30.0000 -2.322E-01 X I 31.0000 -2.313E-01 X I 32.0000 -2.271E-01 X I 33.0000 -2.203E-01 X I 34.0000 -2.113E-01 X I 35.0000 -2.007E-01 X I 36.0000 -1.889E-01 X I 37.0000 -1.763E-01 X I 38.0000 -1.633E-01 X I 39.0000 -1.501E-01 X I 40.0000 -1.372E-01 X I 41.0000 -1.246E-01 X I 42.0000 -1.125E-01 X I 43.0000 -1.010E-01 X I 44.0000 -9.027E-02 X I 45.0000 -8.029E-02 X I 46.0000 -7.110E-02 X I 47.0000 -6.269E-02 X I 48.0000 -5.506E-02 X I 49.0000 -4.817E-02 X I 50.0000 -4.199E-02 X I 52.0000 -3.159E-02 X I 54.0000 -2.347E-02 X I 56.0000 -1.724E-02 X I 58.0000 -1.253E-02 X I 60.0000 -9.017E-03 X I 62.0000 -6.432E-03 X I 64.0000 -4.550E-03 XI 66.0000 -3.194E-03 XI 8.0 0.0 0.0 0.0 y d8 8k d8 8k 151005.6 134005.6 FIXEDHF 17000.0 60 28.01 CONFIG=d8 8k d8 L=7 ELIM= 161648.800 N= 8 E= 151005.600 E= -0.09698798 Z=2.0000 L=7.0000 STEP=-.0500 NUM= 13200 NSAVE=13200 IRREG=0 IFITER=99 NNODES= 0 NUMR 12661 NUMS 12661 NUML 13061 RS 27.013 RL 7.000 RMAX -1.00000000 RMIN 8.00000000 RSCALE 8.24000000 DEL -1.34428569 RSCALE 8.24000000 DEL -4.10096512 RSCALE 8.32076958 DEL -1.34428569 RSCALE 8.24000000 DEL -0.60773291 RSCALE 8.20061298 DEL -0.15491495 RSCALE 8.16811457 DEL -0.02378696 RSCALE 8.15699644 DEL -0.00111224 RSCALE 8.15497959 DEL -0.00000842 RSCALE 8.15488066 DEL 0.00000000 RSCALE 8.15487990 CNORM= 2.35659E+01 0.0500 3.111E-12 X 0.1000 6.721E-10 X 0.1500 1.457E-08 X 0.2000 1.234E-07 X 0.2500 6.247E-07 X 0.3000 2.288E-06 X 0.3500 6.700E-06 X 0.4000 1.667E-05 X 0.4500 3.665E-05 X 0.5000 7.307E-05 X 0.5500 1.347E-04 X 0.6000 2.327E-04 X 0.6500 3.808E-04 X 0.7000 5.952E-04 X 0.7500 8.946E-04 X 0.8000 1.299E-03 X 0.8500 1.832E-03 X 0.9000 2.515E-03 X 0.9500 3.374E-03 X 1.0000 4.432E-03 IX 1.1000 7.245E-03 IX 1.2000 1.114E-02 IX 1.3000 1.627E-02 I X 1.4000 2.277E-02 I X 1.5000 3.073E-02 I X 1.6000 4.018E-02 I X 1.7000 5.112E-02 I X 1.8000 6.351E-02 I X 1.9000 7.726E-02 I X 2.0000 9.226E-02 I X 2.1000 1.084E-01 I X 2.2000 1.254E-01 I X 2.3000 1.432E-01 I X 2.4000 1.616E-01 I X 2.5000 1.804E-01 I X 2.6000 1.994E-01 I X 2.7000 2.185E-01 I X 2.8000 2.374E-01 I X 2.9000 2.560E-01 I X 3.0000 2.742E-01 I X 3.1000 2.918E-01 I X 3.2000 3.088E-01 I X 3.3000 3.250E-01 I X 3.4000 3.404E-01 I X 3.5000 3.548E-01 I X 3.6000 3.683E-01 I X 3.7000 3.808E-01 I X 3.8000 3.923E-01 I X 3.9000 4.027E-01 I X 4.0000 4.121E-01 I X 4.1000 4.204E-01 I X 4.2000 4.277E-01 I X 4.3000 4.341E-01 I X 4.4000 4.394E-01 I X 4.5000 4.438E-01 I X 4.6000 4.473E-01 I X 4.7000 4.499E-01 I X 4.8000 4.516E-01 I X 4.9000 4.526E-01 I X 5.0000 4.528E-01 I X 5.2000 4.511E-01 I X 5.4000 4.470E-01 I X 5.6000 4.407E-01 I X 5.8000 4.327E-01 I X 6.0000 4.231E-01 I X 6.2000 4.123E-01 I X 6.4000 4.006E-01 I X 6.6000 3.882E-01 I X 6.8000 3.752E-01 I X 7.0000 3.619E-01 I X 7.2000 3.484E-01 I X 7.4000 3.348E-01 I X 7.6000 3.213E-01 I X 7.8000 3.080E-01 I X 8.0000 2.948E-01 I X 8.2000 2.819E-01 I X 8.4000 2.694E-01 I X 8.6000 2.572E-01 I X 8.8000 2.454E-01 I X 9.0000 2.340E-01 I X 9.2000 2.231E-01 I X 9.4000 2.126E-01 I X 9.6000 2.025E-01 I X 9.8000 1.928E-01 I X 10.0000 1.836E-01 I X 10.2500 1.727E-01 I X 10.5000 1.624E-01 I X 10.7500 1.527E-01 I X 11.0000 1.436E-01 I X 11.2500 1.351E-01 I X 11.5000 1.271E-01 I X 11.7500 1.196E-01 I X 12.0000 1.126E-01 I X 12.2500 1.060E-01 I X 12.5000 9.987E-02 I X 12.7500 9.413E-02 I X 13.0000 8.876E-02 I X 13.2500 8.374E-02 I X 13.5000 7.904E-02 I X 13.7500 7.465E-02 I X 14.0000 7.054E-02 I X 14.2500 6.669E-02 I X 14.5000 6.310E-02 I X 14.7500 5.972E-02 I X 15.0000 5.657E-02 I X 15.5000 5.084E-02 I X 16.0000 4.579E-02 I X 16.5000 4.135E-02 I X 17.0000 3.742E-02 I X 17.5000 3.393E-02 I X 18.0000 3.084E-02 I X 18.5000 2.809E-02 I X 19.0000 2.562E-02 I X 19.5000 2.342E-02 I X 20.0000 2.144E-02 I X 20.5000 1.965E-02 I X 21.0000 1.804E-02 I X 21.5000 1.657E-02 I X 22.0000 1.524E-02 I X 22.5000 1.403E-02 I X 23.0000 1.292E-02 I X 23.5000 1.190E-02 IX 24.0000 1.097E-02 IX 24.5000 1.012E-02 IX 25.0000 9.331E-03 IX 25.5000 8.606E-03 IX 26.0000 7.937E-03 IX 26.5000 7.321E-03 IX 27.0000 6.751E-03 IX 27.5000 6.225E-03 IX 28.0000 5.739E-03 IX 28.5000 5.289E-03 IX 29.0000 4.874E-03 IX 8.0 0.0 0.0 0.0 z d8 9k d8 9k 152445.0 135445.0 FIXEDHF 17000.0 61 28.01 CONFIG=d8 9k d8 L=7 ELIM= 161648.800 N= 9 E= 152445.000 E= -0.08387120 Z=2.0000 L=7.0000 STEP=-.0500 NUM= 14400 NSAVE=14400 IRREG=0 IFITER=99 NNODES= 1 NUMR 13861 NUMS 13861 NUML 14261 RS 27.013 RL 7.000 RMAX -1.00000000 RMIN 8.00000000 RSCALE 8.24000000 RMAX -1.00000000 RMIN 8.24000000 RSCALE 8.48720000 RMAX -1.00000000 RMIN 8.48720000 RSCALE 8.74181600 DEL -32.37741297 RSCALE 8.74181600 DEL -10.96661271 RSCALE 8.82750445 DEL -7.32112961 RSCALE 8.87139408 DEL -3.65647661 RSCALE 8.95835267 DEL -1.88592101 RSCALE 9.04511725 DEL -0.86449358 RSCALE 9.13377870 DEL -0.31183126 RSCALE 9.20881806 DEL -0.07735598 RSCALE 9.25115787 DEL -0.00925719 RSCALE 9.26512623 DEL -0.00031615 RSCALE 9.26702506 DEL -0.00000134 RSCALE 9.26709220 DEL 0.00000000 RSCALE 9.26709249 CNORM= 6.03596E+00 0.0500 4.585E-12 X 0.1000 9.897E-10 X 0.1500 2.142E-08 X 0.2000 1.811E-07 X 0.2500 9.151E-07 X 0.3000 3.342E-06 X 0.3500 9.760E-06 X 0.4000 2.421E-05 X 0.4500 5.301E-05 X 0.5000 1.053E-04 X 0.5500 1.932E-04 X 0.6000 3.321E-04 X 0.6500 5.408E-04 X 0.7000 8.409E-04 X 0.7500 1.257E-03 X 0.8000 1.814E-03 X 0.8500 2.541E-03 X 0.9000 3.466E-03 IX 0.9500 4.618E-03 IX 1.0000 6.023E-03 IX 1.1000 9.695E-03 IX 1.2000 1.466E-02 I X 1.3000 2.104E-02 I X 1.4000 2.889E-02 I X 1.5000 3.820E-02 I X 1.6000 4.889E-02 I X 1.7000 6.081E-02 I X 1.8000 7.376E-02 I X 1.9000 8.748E-02 I X 2.0000 1.017E-01 I X 2.1000 1.162E-01 I X 2.2000 1.305E-01 I X 2.3000 1.445E-01 I X 2.4000 1.577E-01 I X 2.5000 1.701E-01 I X 2.6000 1.813E-01 I X 2.7000 1.911E-01 I X 2.8000 1.994E-01 I X 2.9000 2.061E-01 I X 3.0000 2.109E-01 I X 3.1000 2.140E-01 I X 3.2000 2.152E-01 I X 3.3000 2.146E-01 I X 3.4000 2.121E-01 I X 3.5000 2.078E-01 I X 3.6000 2.019E-01 I X 3.7000 1.943E-01 I X 3.8000 1.852E-01 I X 3.9000 1.747E-01 I X 4.0000 1.629E-01 I X 4.1000 1.499E-01 I X 4.2000 1.359E-01 I X 4.3000 1.210E-01 I X 4.4000 1.052E-01 I X 4.5000 8.886E-02 I X 4.6000 7.196E-02 I X 4.7000 5.463E-02 I X 4.8000 3.700E-02 I X 4.9000 1.916E-02 I X 5.0000 1.232E-03 X 5.2000 -3.457E-02 X I 5.4000 -6.974E-02 X I 5.6000 -1.037E-01 X I 5.8000 -1.361E-01 X I 6.0000 -1.666E-01 X I 6.2000 -1.949E-01 X I 6.4000 -2.208E-01 X I 6.6000 -2.443E-01 X I 6.8000 -2.654E-01 X I 7.0000 -2.840E-01 X I 7.2000 -3.002E-01 X I 7.4000 -3.142E-01 X I 7.6000 -3.259E-01 X I 7.8000 -3.355E-01 X I 8.0000 -3.433E-01 X I 8.2000 -3.492E-01 X I 8.4000 -3.535E-01 X I 8.6000 -3.562E-01 X I 8.8000 -3.576E-01 X I 9.0000 -3.578E-01 X I 9.2000 -3.569E-01 X I 9.4000 -3.550E-01 X I 9.6000 -3.522E-01 X I 9.8000 -3.487E-01 X I 10.0000 -3.445E-01 X I 10.2500 -3.385E-01 X I 10.5000 -3.318E-01 X I 10.7500 -3.244E-01 X I 11.0000 -3.167E-01 X I 11.2500 -3.086E-01 X I 11.5000 -3.003E-01 X I 11.7500 -2.918E-01 X I 12.0000 -2.833E-01 X I 12.2500 -2.747E-01 X I 12.5000 -2.662E-01 X I 12.7500 -2.578E-01 X I 13.0000 -2.494E-01 X I 13.2500 -2.412E-01 X I 13.5000 -2.332E-01 X I 13.7500 -2.254E-01 X I 14.0000 -2.178E-01 X I 14.2500 -2.104E-01 X I 14.5000 -2.032E-01 X I 14.7500 -1.962E-01 X I 15.0000 -1.895E-01 X I 15.5000 -1.767E-01 X I 16.0000 -1.648E-01 X I 16.5000 -1.538E-01 X I 17.0000 -1.436E-01 X I 17.5000 -1.342E-01 X I 18.0000 -1.255E-01 X I 18.5000 -1.175E-01 X I 19.0000 -1.101E-01 X I 19.5000 -1.032E-01 X I 20.0000 -9.690E-02 X I 20.5000 -9.104E-02 X I 21.0000 -8.561E-02 X I 21.5000 -8.056E-02 X I 22.0000 -7.587E-02 X I 22.5000 -7.149E-02 X I 23.0000 -6.739E-02 X I 23.5000 -6.356E-02 X I 24.0000 -5.997E-02 X I 24.5000 -5.659E-02 X I 25.0000 -5.341E-02 X I 25.5000 -5.041E-02 X I 26.0000 -4.757E-02 X I 26.5000 -4.489E-02 X I 27.0000 -4.235E-02 X I 27.5000 -3.994E-02 X I 28.0000 -3.766E-02 X I 28.5000 -3.549E-02 X I 29.0000 -3.344E-02 X I 29.5000 -3.149E-02 X I 30.0000 -2.963E-02 X I 31.0000 -2.621E-02 X I 32.0000 -2.313E-02 X I 33.0000 -2.037E-02 X I 34.0000 -1.789E-02 X I 35.0000 -1.567E-02 X I 36.0000 -1.370E-02 X I 37.0000 -1.194E-02 X I 38.0000 -1.038E-02 X I 39.0000 -9.006E-03 XI 40.0000 -7.792E-03 XI 41.0000 -6.726E-03 XI 42.0000 -5.791E-03 XI 43.0000 -4.975E-03 XI 44.0000 -4.264E-03 XI 45.0000 -3.646E-03 XI 0 0.0 0.0 0.0 0.0 0 0.0 0.0 0.0 KURUCZ job terminated at 14-SEP-2003 13:01:53.53 Accounting information: Buffered I/O count: 119 Peak working set size: 4049 Direct I/O count: 5566 Peak page file size: 8251 Page faults: 6733 Mounted volumes: 0 Charged CPU time: 0 00:01:06.73 Elapsed time: 0 00:01:30.53