$ Set NoOn $ VERIFY = F$VERIFY(F$TRNLNM("SYLOGIN_VERIFY")) %SET-W-NOTSET, error modifying CFAKU1$DKB0: -SET-E-INVDEV, device is invalid for requested operation $ EXIT $SET DEF 2001 $SET VERIFY=NOIMAGE $ASSIGN SYS$INPUT FOR005 $ASSIGN SYS$OUTPUT FOR006 $ASSIGN B2001OZ.PUN FOR007 $ASSIGN C2001OZ.EIG FOR003 $ASSIGN H2001OZ.HAM FOR001 $ASSIGN EAV2001OZ.DAT FOR066 $ASSIGN POOLG:B2001O15 FOR015 $ASSIGN POOLG:B2001O16 FOR016 $RUN CRAY:LEAST3007 NPAR 236 NJ 8 FIRSTJ 0.5 1 p 6 d 0 s 0 p 1 p 0 f 0 h 0 k 0 2 p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 3 p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 4 p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 5 p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 6 p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 7 p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 8 p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 9 p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 A p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 B p 6 d 0 s 0 p 0 p 1 f 0 h 0 k 0 C p 5 d 0 s 0 p 2 p 0 f 0 h 0 k 0 D p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 E p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 F p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 G p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 H p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 I p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 J p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 K p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 L p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 M p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 N p 6 d 0 s 0 p 0 p 0 f 1 h 0 k 0 O p 6 d 0 s 0 p 0 p 0 f 0 h 1 k 0 P p 6 d 0 s 0 p 0 p 0 f 0 h 1 k 0 Q p 6 d 0 s 0 p 0 p 0 f 0 h 1 k 0 R p 6 d 0 s 0 p 0 p 0 f 0 h 1 k 0 S p 6 d 0 s 0 p 0 p 0 f 0 h 1 k 0 T p 6 d 0 s 0 p 0 p 0 f 0 h 0 k 1 U p 6 d 0 s 0 p 0 p 0 f 0 h 0 k 1 V p 5 d 2 s 0 p 0 p 0 f 0 h 0 k 0 W p 5 d 1 s 1 p 0 p 0 f 0 h 0 k 0 X p 5 d 0 s 2 p 0 p 0 f 0 h 0 k 0 LS STATES FOR LOWEST CONFIGURATION 0.5 1(2P)2P 1 1.5 1(2P)2P 1 TOTAL 2 29 38 34 26 11 7 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 149 38 1 0 29 67 101 127 138 145 147 149 149 149 149 149 149 149 149 149 149 149 149 149 149 149 0 1 Sugar, J, and Corliss, C. 1985. J.Phys.Chem.Ref.Data 14,Supp. 2. 2 7p-14p,9f-14f Ritz extrapolation and 6h,7h,9h,8k,8k polarization after 3 Edlen, B. and Risberg, P. 1956. Ark. Fys. 10, 553-566. 4 Risberg, P. 1968, Ark. Fys. 37, 231-249. 5 nf observed to 20f by 6 Sandline, G.D., Bartoe, J.-D.F., Brueckner, G.E., Tousey, R., and VanHoosier, M.E. APJS 61,801-898. 7 8 parameters for p5p2, p5d2, p5ds, and p5s2 from B2001OY 9 1 0 0 0 0.300 1.500 1 1.0 40 40 50 50 40 30 20 20 10 10 10 10 10 10 0 0 0 0 0 0 0 0 0 1 1.0 29 38 34 26 11 7 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 20.01 3p6 4p 3p6 5p 3p6 6p 3p6 7p 3p6 8p 3p6 9p 3p6 10p 3p6 11p 3p6 12p 3p6 13p 3p6 14p 3p5 4p2 3p6 4f 3p6 5f 3p6 6f 3p6 7f 3p6 8f 3p6 9f 3p6 10f 3p6 11f 3p6 12f 3p6 13f 3p6 14f 3p6 6h 3p6 7h 3p6 8h 3p6 9h 3p6 10h 3p6 8k 3p6 9k 3p5 3d2 3p5 3d4s 3p5 4s2 SENORITY MIXING CORRECTIONS 0 0.5 25191.51 3p6(1S)4p 2P 4p 2P 0 0.5 60533.02 3p6(1S)5p 2P 5p 2P 0 0.5 74484.92 3p6(1S)6p 2P 6p 2P 0 0.5 81497.39 3p6(1S)7p 2P 7p 2P Ritz 0 0.5 85528.72 3p6(1S)8p 2P 8p 2P Ritz 0 0.5 88060.97 3p6(1S)9p 2P 9p 2P Ritz 0 0.5 89755.88 3p6(1S)10p 2P 10p 2P Ritz 0 0.5 90946.11 3p6(1S)11p 2P 11p 2P Ritz 0 0.5 91813.96 3p6(1S)12p 2P 12p 2P Ritz 0 0.5 92466.21 3p6(1S)13p 2P 13p 2P Ritz 0 0.5 92968.82 3p6(1S)14p 2P 14p 2P Ritz 1 0.5 0 -1.0 0 1.5 25414.40 3p6(1S)4p 2P 4p 2P 0 1.5 60611.28 3p6(1S)5p 2P 5p 2P 0 1.5 74521.75 3p6(1S)6p 2P 6p 2P 0 1.5 81517.65 3p6(1S)7p 2P 7p 2P Ritz 0 1.5 85541.05 3p6(1S)8p 2P 8p 2P Ritz 0 1.5 88069.02 3p6(1S)9p 2P 9p 2P Ritz 0 1.5 89761.43 3p6(1S)10p 2P 10p 2P Ritz 0 1.5 90950.10 3p6(1S)11p 2P 11p 2P Ritz 0 1.5 91816.91 3p6(1S)12p 2P 12p 2P Ritz 0 1.5 92468.47 3p6(1S)13p 2P 13p 2P Ritz 0 1.5 92970.58 3p6(1S)14p 2P 14p 2P Ritz 1 1.5 0 -1.0 0 2.5 68056.91 3p6(1S)4f 2F 4f 2F 0 2.5 78034.39 3p6(1S)5f 2F 5f 2F 0 2.5 83458.08 3p6(1S)6f 2F 6f 2F 0 2.5 86727.06 3p6(1S)7f 2F 7f 2F 0 2.5 88847.31 3p6(1S)8f 2F 8f 2F 0 2.5 90299.77 3p6(1S)9f 2F 9f 2F Ritz 0 2.5 91338.00 3p6(1S)10f 2F 10f 2F Ritz 0 2.5 92105.69 3p6(1S)11f 2F 11f 2F Ritz 0 2.5 92689.25 3p6(1S)12f 2F 12f 2F Ritz 0 2.5 93143.18 3p6(1S)13f 2F 13f 2F Ritz 0 2.5 93503.20 3p6(1S)14f 2F 14f 2F Ritz 1 2.5 1 2.5 1 2.5 0 -1.0 0 3.5 68056.91 3p6(1S)4f 2F 4f 2F 0 3.5 78034.39 3p6(1S)5f 2F 5f 2F 0 3.5 83458.08 3p6(1S)6f 2F 6f 2F 0 3.5 86727.06 3p6(1S)7f 2F 7f 2F 0 3.5 88847.31 3p6(1S)8f 2F 8f 2F 0 3.5 90299.77 3p6(1S)9f 2F 9f 2F Ritz 0 3.5 91338.00 3p6(1S)10f 2F 10f 2F Ritz 0 3.5 92105.69 3p6(1S)11f 2F 11f 2F Ritz 0 3.5 92689.25 3p6(1S)12f 2F 12f 2F Ritz 0 3.5 93143.18 3p6(1S)13f 2F 13f 2F Ritz 0 3.5 93503.20 3p6(1S)14f 2F 14f 2F Ritz 0 -1.0 0 4.5 83553.21 3p6(1S)6h 2H 6h 2H polar 0 4.5 86789.89 3p6(1S)7h 2H 7h 2H polar 0 4.5 88890.64 3p6(1S)8h 2H 8h 2H 0 4.5 90330.85 3p6(1S)9h 2H 9h 2H polar 0 4.5 91361.00 3p6(1S)10h 2H 10h 2H 0 -1.0 0 5.5 83553.21 3p6(1S)6h 2H 6h 2H polar 0 5.5 86789.89 3p6(1S)7h 2H 7h 2H polar 0 5.5 88890.64 3p6(1S)8h 2H 8h 2H 0 5.5 90330.85 3p6(1S)9h 2H 9h 2H polar 0 5.5 91361.00 3p6(1S)10h 2H 10h 2H 0 -1.0 0 6.5 88893.11 3p6(1S)8k 2K 8k 2K polar 0 6.5 90332.42 3p6(1S)9k 2K 9k 2K polar 0 7.5 88893.11 3p6(1S)8k 2K 8k 2K polar 0 7.5 90332.42 3p6(1S)9k 2K 9k 2K polar 236 0.1 42 LEAST SQUARES 1 1 EAV 26778.1 0.0 24642.8 1.000 0 0.0 0 3p6 4p 2 1 ZETA 4 146.7 0.0 165.8 1.000 0 0.0 0 3 2 EAV 60723.9 0.0 60799.2 1.000 0 0.0 0 3p6 5p 4 2 ZETA 5 51.9 0.0 60.7 1.000 0 0.0 0 5 3 EAV 74568.1 0.0 74805.7 1.000 0 0.0 0 3p6 6p 6 3 ZETA 5 24.4 0.0 28.7 1.000 0 0.0 0 7 4 EAV 81541.5 0.0 81823.6 1.000 0 0.0 0 3p6 7p 8 4 ZETA 5 13.4 0.0 15.8 1.000 0 0.0 0 9 5 EAV 85555.0 0.0 85853.4 1.000 0 0.0 0 3p6 8p 10 5 ZETA 5 8.2 0.0 9.6 1.000 0 0.0 0 11 6 EAV 88077.9 0.0 88383.5 1.000 0 0.0 0 3p6 9p 12 6 ZETA 5 5.3 0.0 6.3 1.000 0 0.0 0 13 7 EAV 89767.4 0.0 90076.9 1.000 0 0.0 0 3p6 10p 14 7 ZETA 5 3.7 0.0 4.3 1.000 0 0.0 0 15 8 EAV 90954.3 0.0 91266.9 1.000 0 0.0 0 3p6 11p 16 8 ZETA 5 2.6 0.0 3.1 1.000 0 0.0 0 17 9 EAV 91820.0 0.0 92133.4 1.000 0 0.0 0 3p6 12p 18 9 ZETA 5 2.0 0.0 2.3 1.000 0 0.0 0 19 A EAV 92470.8 0.0 92784.2 1.000 0 0.0 0 3p6 13p 20 A ZETA 5 1.5 0.0 1.7 1.000 0 0.0 0 21 B EAV 92972.4 0.0 93286.5 1.000 0 0.0 0 3p6 14p 22 B ZETA 5 1.2 0.0 1.4 1.000 0 0.0 0 23 C EAV 289676.4 0.0 289676.4 FIXED 1.000 0 0.0 0 3p5 4p2 24 C F2(44) 21008.8 0.0 26261.0 FIXEDHF 0.800 0 0.0 0 25 C ALPHA 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 26 C ZETA 1 2143.6 0.0 2143.6 FIXEDHF 1.000 0 0.0 0 27 C ZETA 4 230.3 0.0 230.3 FIXEDHF 1.000 0 0.0 0 28 C F2(14) 9594.4 0.0 13418.7 FIXEDHF 0.715 0 0.0 0 29 C G0(14) 2560.8 0.0 4260.9 FIXEDHF 0.601 0 0.0 0 30 C G2(14) 2739.2 0.0 4348.0 FIXEDHF 0.630 0 0.0 0 31 D EAV 68083.6 0.0 68308.0 1.000 0 0.0 0 3p6 4f 32 D ZETA 6 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 33 E EAV 78055.5 0.0 78304.9 1.000 0 0.0 0 3p6 5f 34 E ZETA 6 0.1 0.0 0.1 FIXEDHF 1.000 0 0.0 0 35 F EAV 83473.0 0.0 83747.1 1.000 0 0.0 0 3p6 6f 36 F ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 37 G EAV 86737.5 0.0 87026.7 1.000 0 0.0 0 3p6 7f 38 G ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 39 H EAV 88854.8 0.0 89152.4 1.000 0 0.0 0 3p6 8f 40 H ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 41 I EAV 90305.3 0.0 90608.1 1.000 0 0.0 0 3p6 9f 42 I ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 43 J EAV 91342.2 0.0 91649.2 1.000 0 0.0 0 3p6 10f 44 J ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 45 K EAV 92108.9 0.0 92418.7 1.000 0 0.0 0 3p6 11f 46 K ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 47 L EAV 92691.8 0.0 93002.5 1.000 0 0.0 0 3p6 12f 48 L ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 49 M EAV 93145.2 0.0 93456.7 1.000 0 0.0 0 3p6 13f 50 M ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 51 N EAV 93504.8 0.0 93817.1 1.000 0 0.0 0 3p6 14f 52 N ZETA 6 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 53 O EAV 83553.2 0.0 83873.6 1.000 0 0.0 0 3p6 6h 54 O ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 55 P EAV 86789.9 0.0 87108.3 1.000 0 0.0 0 3p6 7h 56 P ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 57 Q EAV 88890.6 0.0 89208.3 1.000 0 0.0 0 3p6 8h 58 Q ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 59 R EAV 90330.9 0.0 90647.9 1.000 0 0.0 0 3p6 9h 60 R ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 61 S EAV 91361.0 0.0 91678.1 1.000 0 0.0 0 3p6 10h 62 S ZETA 7 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 63 T EAV 88893.1 0.0 89209.1 1.000 0 0.0 0 3p6 8k 64 T ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 65 U EAV 90332.4 0.0 90648.6 1.000 0 0.0 0 3p6 9k 66 U ZETA 8 0.0 0.0 0.0 FIXEDHF 1.000 0 0.0 0 67 V EAV 224097.8 0.0 231020.0 FIXED 1.000 0 0.0 0 3p5 3d2 68 V F2(22) 37816.2 0.0 44489.6 FIXEDHF 0.850 0 0.0 0 69 V F4(22) 23227.5 0.0 27326.5 FIXEDHF 0.850 0 0.0 0 70 V ALPHA 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 71 V BETA 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 72 V t(d 2) 0.0 0.0 0.0 FIXED 1.000 0 0.0 0 73 V ZETA 1 1966.1 0.0 1966.1 FIXEDHF 1.000 0 0.0 0 74 V ZETA 2 44.2 0.0 44.2 FIXEDHF 1.000 0 0.0 0 75 V F2(12) 44486.8 0.0 53534.0 FIXEDHF 0.831 0 0.0 0 76 V G1(12) 50622.0 0.0 65914.1 FIXEDHF 0.768 0 0.0 0 77 V G3(12) 32551.5 0.0 38983.8 FIXEDHF 0.835 0 0.0 0 78 W EAV 218852.7 0.0 220224.5 FIXED 1.000 0 0.0 0 3p5 3d4s 79 W ZETA 1 2025.7 0.0 2025.7 FIXEDHF 1.000 0 0.0 0 80 W ZETA 2 59.1 0.0 59.1 FIXEDHF 1.000 0 0.0 0 81 W F2(12) 52154.6 0.0 62761.2 FIXEDHF 0.831 0 0.0 0 82 W G1(12) 60162.1 0.0 78336.1 FIXEDHF 0.768 0 0.0 0 83 W G3(12) 39144.8 0.0 46880.0 FIXEDHF 0.835 0 0.0 0 84 W G1(13) 4034.1 0.0 5042.6 FIXEDHF 0.800 0 0.0 0 85 W G2(23) 8915.5 0.0 11144.4 FIXEDHF 0.800 0 0.0 0 86 X EAV 233462.1 0.0 232381.4 FIXED 1.000 0 0.0 0 3p5 4s2 87 X ZETA 1 1971.5 0.0 2130.6 FIXED 1.000 0 0.0 0 88 1C 0D1114 2070.5 0.0 2588.1 FIXEDHF 0.800 0 0.0 0 3p6 4p -3p5 4p2 89 1C 2D1114 9399.0 0.0 11748.7 FIXEDHF 0.800 0 0.0 0 90 1C 0D1444 111.6 0.0 139.5 FIXEDHF 0.800 0 0.0 0 91 1C 2D1444 -2152.0 0.0 -2690.0 FIXEDHF 0.800 0 0.0 0 92 1V 1D1422 -1859.1 0.0 -2323.9 FIXEDHF 0.800 0 0.0 0 3p6 4p -3p5 3d2 93 1V 3D1422 1340.3 0.0 1675.4 FIXEDHF 0.800 0 0.0 0 94 1W 1D1423 18796.0 0.0 23495.0 FIXEDHF 0.800 0 0.0 0 3p6 4p -3p5 3d4s 95 1W 1E1423 3892.6 0.0 4865.8 FIXEDHF 0.800 0 0.0 0 96 1X 1D1433 -4511.8 0.0 -5639.8 FIXEDHF 0.800 0 0.0 0 3p6 4p -3p5 4s2 97 2C 0D1544 735.4 0.0 919.3 FIXEDHF 0.800 0 0.0 0 3p6 5p -3p5 4p2 98 2C 2D1544 -693.6 0.0 -867.0 FIXEDHF 0.800 0 0.0 0 99 2V 1D1522 -460.6 0.0 -575.7 FIXEDHF 0.800 0 0.0 0 3p6 5p -3p5 3d2 100 2V 3D1522 674.6 0.0 843.2 FIXEDHF 0.800 0 0.0 0 101 2W 1D1523 8601.4 0.0 10751.7 FIXEDHF 0.800 0 0.0 0 3p6 5p -3p5 3d4s 102 2W 1E1523 2129.6 0.0 2662.0 FIXEDHF 0.800 0 0.0 0 103 2X 1D1533 -1744.1 0.0 -2180.1 FIXEDHF 0.800 0 0.0 0 3p6 5p -3p5 4s2 104 3C 0D1544 499.6 0.0 624.5 FIXEDHF 0.800 0 0.0 0 3p6 6p -3p5 4p2 105 3C 2D1544 -363.8 0.0 -454.8 FIXEDHF 0.800 0 0.0 0 106 3V 1D1522 -219.1 0.0 -273.9 FIXEDHF 0.800 0 0.0 0 3p6 6p -3p5 3d2 107 3V 3D1522 425.4 0.0 531.7 FIXEDHF 0.800 0 0.0 0 108 3W 1D1523 5402.6 0.0 6753.3 FIXEDHF 0.800 0 0.0 0 3p6 6p -3p5 3d4s 109 3W 1E1523 1411.7 0.0 1764.6 FIXEDHF 0.800 0 0.0 0 110 3X 1D1533 -1011.8 0.0 -1264.7 FIXEDHF 0.800 0 0.0 0 3p6 6p -3p5 4s2 111 4C 0D1544 367.5 0.0 459.4 FIXEDHF 0.800 0 0.0 0 3p6 7p -3p5 4p2 112 4C 2D1544 -232.2 0.0 -290.2 FIXEDHF 0.800 0 0.0 0 113 4V 1D1522 -132.6 0.0 -165.8 FIXEDHF 0.800 0 0.0 0 3p6 7p -3p5 3d2 114 4V 3D1522 300.9 0.0 376.1 FIXEDHF 0.800 0 0.0 0 115 4W 1D1523 3834.2 0.0 4792.8 FIXEDHF 0.800 0 0.0 0 3p6 7p -3p5 3d4s 116 4W 1E1523 1027.6 0.0 1284.5 FIXEDHF 0.800 0 0.0 0 117 4X 1D1533 -687.5 0.0 -859.4 FIXEDHF 0.800 0 0.0 0 3p6 7p -3p5 4s2 118 5C 0D1544 285.0 0.0 356.3 FIXEDHF 0.800 0 0.0 0 3p6 8p -3p5 4p2 119 5C 2D1544 -164.9 0.0 -206.1 FIXEDHF 0.800 0 0.0 0 120 5V 1D1522 -91.0 0.0 -113.8 FIXEDHF 0.800 0 0.0 0 3p6 8p -3p5 3d2 121 5V 3D1522 228.1 0.0 285.1 FIXEDHF 0.800 0 0.0 0 122 5W 1D1523 2914.6 0.0 3643.2 FIXEDHF 0.800 0 0.0 0 3p6 8p -3p5 3d4s 123 5W 1E1523 792.4 0.0 990.5 FIXEDHF 0.800 0 0.0 0 124 5X 1D1533 -509.0 0.0 -636.2 FIXEDHF 0.800 0 0.0 0 3p6 8p -3p5 4s2 125 6C 0D1544 229.4 0.0 286.8 FIXEDHF 0.800 0 0.0 0 3p6 9p -3p5 4p2 126 6C 2D1544 -125.1 0.0 -156.4 FIXEDHF 0.800 0 0.0 0 127 6V 1D1522 -67.4 0.0 -84.2 FIXEDHF 0.800 0 0.0 0 3p6 9p -3p5 3d2 128 6V 3D1522 180.9 0.0 226.1 FIXEDHF 0.800 0 0.0 0 129 6W 1D1523 2316.9 0.0 2896.1 FIXEDHF 0.800 0 0.0 0 3p6 9p -3p5 3d4s 130 6W 1E1523 635.6 0.0 794.5 FIXEDHF 0.800 0 0.0 0 131 6X 1D1533 -397.6 0.0 -497.0 FIXEDHF 0.800 0 0.0 0 3p6 9p -3p5 4s2 132 7C 0D1544 189.8 0.0 237.3 FIXEDHF 0.800 0 0.0 0 3p6 10p -3p5 4p2 133 7C 2D1544 -99.4 0.0 -124.2 FIXEDHF 0.800 0 0.0 0 134 7V 1D1522 -52.4 0.0 -65.5 FIXEDHF 0.800 0 0.0 0 3p6 10p -3p5 3d2 135 7V 3D1522 148.2 0.0 185.3 FIXEDHF 0.800 0 0.0 0 136 7W 1D1523 1901.1 0.0 2376.4 FIXEDHF 0.800 0 0.0 0 3p6 10p -3p5 3d4s 137 7W 1E1523 524.8 0.0 656.0 FIXEDHF 0.800 0 0.0 0 138 7X 1D1533 -322.3 0.0 -402.9 FIXEDHF 0.800 0 0.0 0 3p6 10p -3p5 4s2 139 8C 0D1544 160.5 0.0 200.6 FIXEDHF 0.800 0 0.0 0 3p6 11p -3p5 4p2 140 8C 2D1544 -81.4 0.0 -101.8 FIXEDHF 0.800 0 0.0 0 141 8V 1D1522 -42.2 0.0 -52.8 FIXEDHF 0.800 0 0.0 0 3p6 11p -3p5 3d2 142 8V 3D1522 124.5 0.0 155.6 FIXEDHF 0.800 0 0.0 0 143 8W 1D1523 1597.4 0.0 1996.8 FIXEDHF 0.800 0 0.0 0 3p6 11p -3p5 3d4s 144 8W 1E1523 442.9 0.0 553.6 FIXEDHF 0.800 0 0.0 0 145 8X 1D1533 -268.5 0.0 -335.6 FIXEDHF 0.800 0 0.0 0 3p6 11p -3p5 4s2 146 9C 0D1544 137.9 0.0 172.4 FIXEDHF 0.800 0 0.0 0 3p6 12p -3p5 4p2 147 9C 2D1544 -68.4 0.0 -85.5 FIXEDHF 0.800 0 0.0 0 148 9V 1D1522 -35.0 0.0 -43.8 FIXEDHF 0.800 0 0.0 0 3p6 12p -3p5 3d2 149 9V 3D1522 106.5 0.0 133.1 FIXEDHF 0.800 0 0.0 0 150 9W 1D1523 1367.4 0.0 1709.3 FIXEDHF 0.800 0 0.0 0 3p6 12p -3p5 3d4s 151 9W 1E1523 380.4 0.0 475.5 FIXEDHF 0.800 0 0.0 0 152 9X 1D1533 -228.3 0.0 -285.4 FIXEDHF 0.800 0 0.0 0 3p6 12p -3p5 4s2 153 AC 0D1544 120.2 0.0 150.3 FIXEDHF 0.800 0 0.0 0 3p6 13p -3p5 4p2 154 AC 2D1544 -58.6 0.0 -73.2 FIXEDHF 0.800 0 0.0 0 155 AV 1D1522 -29.6 0.0 -37.0 FIXEDHF 0.800 0 0.0 0 3p6 13p -3p5 3d2 156 AV 3D1522 92.6 0.0 115.7 FIXEDHF 0.800 0 0.0 0 157 AW 1D1523 1188.1 0.0 1485.1 FIXEDHF 0.800 0 0.0 0 3p6 13p -3p5 3d4s 158 AW 1E1523 331.4 0.0 414.2 FIXEDHF 0.800 0 0.0 0 159 AX 1D1533 -197.4 0.0 -246.7 FIXEDHF 0.800 0 0.0 0 3p6 13p -3p5 4s2 160 BC 0D1544 106.1 0.0 132.6 FIXEDHF 0.800 0 0.0 0 3p6 14p -3p5 4p2 161 BC 2D1544 -50.9 0.0 -63.6 FIXEDHF 0.800 0 0.0 0 162 BV 1D1522 -25.4 0.0 -31.8 FIXEDHF 0.800 0 0.0 0 3p6 14p -3p5 3d2 163 BV 3D1522 81.4 0.0 101.7 FIXEDHF 0.800 0 0.0 0 164 BW 1D1523 1045.0 0.0 1306.2 FIXEDHF 0.800 0 0.0 0 3p6 14p -3p5 3d4s 165 BW 1E1523 292.0 0.0 365.0 FIXEDHF 0.800 0 0.0 0 166 BX 1D1533 -172.9 0.0 -216.1 FIXEDHF 0.800 0 0.0 0 3p6 14p -3p5 4s2 167 CD 2D4416 -941.8 0.0 -1177.2 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 4f 168 CE 2D4416 -760.9 0.0 -951.1 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 5f 169 CF 2D4416 -604.6 0.0 -755.8 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 6f 170 CG 2D4416 -490.3 0.0 -612.9 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 7f 171 CH 2D4416 -406.4 0.0 -508.0 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 8f 172 CI 2D4416 -343.4 0.0 -429.3 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 9f 173 CJ 2D4416 -295.0 0.0 -368.7 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 10f 174 CK 2D4416 -256.8 0.0 -321.0 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 11f 175 CL 2D4416 -226.2 0.0 -282.7 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 12f 176 CM 2D4416 -201.1 0.0 -251.4 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 13f 177 CN 2D4416 -180.4 0.0 -225.5 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p6 14f 178 CV 1D4422 10775.4 0.0 13469.3 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p5 3d2 179 CV 3D4422 8116.8 0.0 10146.0 FIXEDHF 0.800 0 0.0 0 180 CW 1D4423 -11292.2 0.0 -14115.2 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p5 3d4s 181 CX 1D4433 27985.0 0.0 34981.3 FIXEDHF 0.800 0 0.0 0 3p5 4p2 -3p5 4s2 182 DV 1D1622 -3587.8 0.0 -4484.8 FIXEDHF 0.800 0 0.0 0 3p6 4f -3p5 3d2 183 DV 3D1622 -1319.2 0.0 -1649.0 FIXEDHF 0.800 0 0.0 0 184 DW 3D1623 1214.6 0.0 1518.3 FIXEDHF 0.800 0 0.0 0 3p6 4f -3p5 3d4s 185 DW 1E1623 585.4 0.0 731.7 FIXEDHF 0.800 0 0.0 0 186 EV 1D1622 -3113.6 0.0 -3892.0 FIXEDHF 0.800 0 0.0 0 3p6 5f -3p5 3d2 187 EV 3D1622 -1206.8 0.0 -1508.5 FIXEDHF 0.800 0 0.0 0 188 EW 3D1623 1053.3 0.0 1316.6 FIXEDHF 0.800 0 0.0 0 3p6 5f -3p5 3d4s 189 EW 1E1623 501.9 0.0 627.4 FIXEDHF 0.800 0 0.0 0 190 FV 1D1622 -2574.6 0.0 -3218.3 FIXEDHF 0.800 0 0.0 0 3p6 6f -3p5 3d2 191 FV 3D1622 -1024.0 0.0 -1280.0 FIXEDHF 0.800 0 0.0 0 192 FW 3D1623 868.5 0.0 1085.6 FIXEDHF 0.800 0 0.0 0 3p6 6f -3p5 3d4s 193 FW 1E1623 411.3 0.0 514.1 FIXEDHF 0.800 0 0.0 0 194 GV 1D1622 -2139.8 0.0 -2674.8 FIXEDHF 0.800 0 0.0 0 3p6 7f -3p5 3d2 195 GV 3D1622 -863.8 0.0 -1079.8 FIXEDHF 0.800 0 0.0 0 196 GW 3D1623 719.9 0.0 899.9 FIXEDHF 0.800 0 0.0 0 3p6 7f -3p5 3d4s 197 GW 1E1623 339.6 0.0 424.5 FIXEDHF 0.800 0 0.0 0 198 HV 1D1622 -1803.2 0.0 -2254.0 FIXEDHF 0.800 0 0.0 0 3p6 8f -3p5 3d2 199 HV 3D1622 -734.9 0.0 -918.6 FIXEDHF 0.800 0 0.0 0 200 HW 3D1623 605.4 0.0 756.8 FIXEDHF 0.800 0 0.0 0 3p6 8f -3p5 3d4s 201 HW 1E1623 284.9 0.0 356.1 FIXEDHF 0.800 0 0.0 0 202 IV 1D1622 -1541.4 0.0 -1926.8 FIXEDHF 0.800 0 0.0 0 3p6 9f -3p5 3d2 203 IV 3D1622 -632.4 0.0 -790.5 FIXEDHF 0.800 0 0.0 0 204 IW 3D1623 516.8 0.0 646.0 FIXEDHF 0.800 0 0.0 0 3p6 9f -3p5 3d4s 205 IW 1E1623 242.8 0.0 303.5 FIXEDHF 0.800 0 0.0 0 206 JV 1D1622 -1335.1 0.0 -1668.9 FIXEDHF 0.800 0 0.0 0 3p6 10f -3p5 3d2 207 JV 3D1622 -550.3 0.0 -687.9 FIXEDHF 0.800 0 0.0 0 208 JW 3D1623 447.1 0.0 558.9 FIXEDHF 0.800 0 0.0 0 3p6 10f -3p5 3d4s 209 JW 1E1623 209.8 0.0 262.2 FIXEDHF 0.800 0 0.0 0 210 KV 1D1622 -1169.8 0.0 -1462.3 FIXEDHF 0.800 0 0.0 0 3p6 11f -3p5 3d2 211 KV 3D1622 -483.8 0.0 -604.8 FIXEDHF 0.800 0 0.0 0 212 KW 3D1623 391.4 0.0 489.2 FIXEDHF 0.800 0 0.0 0 3p6 11f -3p5 3d4s 213 KW 1E1623 183.4 0.0 229.3 FIXEDHF 0.800 0 0.0 0 214 LV 1D1622 -1035.4 0.0 -1294.3 FIXEDHF 0.800 0 0.0 0 3p6 12f -3p5 3d2 215 LV 3D1622 -429.4 0.0 -536.8 FIXEDHF 0.800 0 0.0 0 216 LW 3D1623 346.2 0.0 432.7 FIXEDHF 0.800 0 0.0 0 3p6 12f -3p5 3d4s 217 LW 1E1623 162.1 0.0 202.6 FIXEDHF 0.800 0 0.0 0 218 MV 1D1622 -924.5 0.0 -1155.6 FIXEDHF 0.800 0 0.0 0 3p6 13f -3p5 3d2 219 MV 3D1622 -384.2 0.0 -480.3 FIXEDHF 0.800 0 0.0 0 220 MW 3D1623 308.9 0.0 386.1 FIXEDHF 0.800 0 0.0 0 3p6 13f -3p5 3d4s 221 MW 1E1623 144.6 0.0 180.7 FIXEDHF 0.800 0 0.0 0 222 NV 1D1622 -831.8 0.0 -1039.8 FIXEDHF 0.800 0 0.0 0 3p6 14f -3p5 3d2 223 NV 3D1622 -346.3 0.0 -432.9 FIXEDHF 0.800 0 0.0 0 224 NW 3D1623 277.8 0.0 347.2 FIXEDHF 0.800 0 0.0 0 3p6 14f -3p5 3d4s 225 NW 1E1623 129.9 0.0 162.4 FIXEDHF 0.800 0 0.0 0 226 OV 3D1722 -12.5 0.0 -15.6 FIXEDHF 0.800 0 0.0 0 3p6 6h -3p5 3d2 227 PV 3D1722 -14.3 0.0 -17.9 FIXEDHF 0.800 0 0.0 0 3p6 7h -3p5 3d2 228 QV 3D1722 -14.2 0.0 -17.7 FIXEDHF 0.800 0 0.0 0 3p6 8h -3p5 3d2 229 RV 3D1722 -13.2 0.0 -16.5 FIXEDHF 0.800 0 0.0 0 3p6 9h -3p5 3d2 230 SV 3D1722 -12.2 0.0 -15.2 FIXEDHF 0.800 0 0.0 0 3p6 10h -3p5 3d2 231 VW 2D1213 -1850.2 0.0 -2312.8 FIXEDHF 0.800 0 0.0 0 3p5 3d2 -3p5 3d4s 232 VW 1E1213 3044.5 0.0 3805.6 FIXEDHF 0.800 0 0.0 0 233 VW 2D2223 -8283.6 0.0 -10354.5 FIXEDHF 0.800 0 0.0 0 234 VX 2D2233 13363.0 0.0 16703.8 FIXEDHF 0.800 0 0.0 0 3p5 3d2 -3p5 4s2 235 WX 2D1213 -629.8 0.0 -787.2 FIXEDHF 0.800 0 0.0 0 3p5 3d4s -3p5 4s2 236 WX 1E1213 3460.6 0.0 4325.7 FIXEDHF 0.800 0 0.0 0 20.01 J 0.5 1 3p6 4p 2 3p6 5p 3 3p6 6p 4 3p6 7p 5 3p6 8p 6 3p6 9p 7 3p6 10p 8 3p6 11p 9 3p6 12p A 3p6 13p B 3p6 14p C 3p5 4p2 D 3p6 4f E 3p6 5f F 3p6 6f G 3p6 7f H 3p6 8f I 3p6 9f J 3p6 10f K 3p6 11f L 3p6 12f M 3p6 13f N 3p6 14f O 3p6 6h P 3p6 7h Q 3p6 8h R 3p6 9h S 3p6 10h T 3p6 8k U 3p6 9k V 3p5 3d2 W 3p5 3d4s X 3p5 4s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 25191.51 25191.516 0.0 0.666 4p 2P 0.997 1(2P)2P 1 0.046 C(3P)2P 14 -0.044 W(1P)2P 27 2 60533.02 60533.094 0.1 0.666 5p 2P -1.000 2(1S)2P 2 3 74484.92 74484.967 0.0 0.666 6p 2P 1.000 3(1S)2P 3 4 81497.39 81497.425 0.0 0.666 7p 2P 1.000 4(1S)2P 4 5 85528.72 85528.701 0.0 0.666 8p 2P 1.000 5(1S)2P 5 6 88060.97 88061.016 0.0 0.666 9p 2P -1.000 6(1S)2P 6 7 89755.88 89755.838 0.0 0.666 10p 2P 1.000 7(1S)2P 7 8 90946.11 90946.122 0.0 0.666 11p 2P -1.000 8(1S)2P 8 9 91813.96 91813.902 -0.1 0.666 12p 2P -1.000 9(1S)2P 9 10 92466.21 92466.205 0.0 0.666 13p 2P 1.000 A(1S)2P 10 11 92968.82 92968.812 0.0 0.666 14p 2P -1.000 B(1S)2P 11 12 199508.078 -0.001 0.878 V(3F)4D 18 0.477 V(3P)4D 19 13 200197.628 2.663 0.997 W(3P)4P 26 0.055 V(3P)4P 20 -0.053 W(3P)2P 28 14 204644.680 0.670 -0.989 W(3P)2P 28 0.091 V(1D)2P 22 -0.074 V(3P)2P 21 15 209186.961 2.665 -0.995 V(3P)4P 20 0.056 W(3P)4P 26 0.050 V(3P)2S 24 16 217044.114 0.667 -0.800 V(1D)2P 22 0.469 V(3P)2P 21 -0.335 V(1S)2P 23 17 222497.486 0.001 -0.998 W(3D)4D 25 -0.042 W(3P)2P 28 18 226735.092 0.000 0.876 V(3P)4D 19 -0.476 V(3F)4D 18 0.047 C(3P)4D 12 19 230794.679 0.666 0.943 X(2P)2P 29 -0.205 V(1S)2P 23 0.190 C(1S)2P 16 20 235135.546 2.003 -0.997 V(3P)2S 24 -0.060 C(3P)2S 17 -0.050 V(3P)4P 20 J 0.5 21 244929.194 0.666 0.856 V(1S)2P 23 -0.408 V(1D)2P 22 0.217 X(2P)2P 29 22 275073.713 0.666 0.825 V(3P)2P 21 0.368 V(1D)2P 22 0.287 V(1S)2P 23 23 283055.883 0.690 -0.806 W(1P)2P 27 0.431 C(1D)2P 15 -0.258 C(3P)2P 14 24 284515.104 2.504 -0.942 C(3P)4P 13 0.228 C(3P)2S 17 0.172 W(1P)2P 27 25 287078.382 0.529 0.583 C(3P)4D 12 -0.522 C(3P)2P 14 0.402 C(1D)2P 15 26 288439.459 0.252 0.791 C(3P)4D 12 -0.401 C(1D)2P 15 0.364 C(3P)2P 14 27 290321.698 2.026 0.960 C(3P)2S 17 0.249 C(3P)4P 13 0.094 C(1D)2P 15 28 298919.553 0.667 0.693 C(3P)2P 14 0.689 C(1D)2P 15 0.112 W(1P)2P 27 29 307503.420 0.666 -0.950 C(1S)2P 16 0.227 X(2P)2P 29 0.159 V(1S)2P 23 29 VECTORS WRITTEN TO UNIT 3 20.01 J 1.5 1 3p6 4p 2 3p6 5p 3 3p6 6p 4 3p6 7p 5 3p6 8p 6 3p6 9p 7 3p6 10p 8 3p6 11p 9 3p6 12p A 3p6 13p B 3p6 14p C 3p5 4p2 D 3p6 4f E 3p6 5f F 3p6 6f G 3p6 7f H 3p6 8f I 3p6 9f J 3p6 10f K 3p6 11f L 3p6 12f M 3p6 13f N 3p6 14f O 3p6 6h P 3p6 7h Q 3p6 8h R 3p6 9h S 3p6 10h T 3p6 8k U 3p6 9k V 3p5 3d2 W 3p5 3d4s X 3p5 4s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 25414.40 25414.383 0.0 1.334 4p 2P 0.997 1(2P)2P 1 0.046 C(3P)2P 17 -0.044 W(1P)2P 36 2 60611.28 60611.303 0.0 1.334 5p 2P -1.000 2(1S)2P 2 3 74521.75 74521.760 0.0 1.334 6p 2P 1.000 3(1S)2P 3 4 81517.65 81517.638 0.0 1.334 7p 2P 1.000 4(1S)2P 4 5 85541.05 85541.072 0.0 1.334 8p 2P 1.000 5(1S)2P 5 6 88069.02 88069.013 0.0 1.334 9p 2P 1.000 6(1S)2P 6 7 89761.43 89761.421 0.0 1.334 10p 2P -1.000 7(1S)2P 7 8 90950.10 90950.045 -0.1 1.334 11p 2P -1.000 8(1S)2P 8 9 91816.91 91816.919 0.0 1.334 12p 2P 1.000 9(1S)2P 9 10 92468.47 92468.468 0.0 1.334 13p 2P -1.000 A(1S)2P 10 11 92970.58 92970.622 0.0 1.334 14p 2P 1.000 B(1S)2P 11 12 199626.054 1.200 -0.870 V(3F)4D 21 -0.488 V(3P)4D 22 0.039 V(3F)4F 20 13 200690.127 1.731 0.994 W(3P)4P 33 -0.076 W(3P)2P 37 0.061 V(3P)4P 23 14 205668.402 1.333 -0.984 W(3P)2P 37 0.093 V(1D)2P 29 -0.076 V(3P)2P 28 15 208712.480 1.733 -0.994 V(3P)4P 23 0.063 W(3P)4P 33 -0.048 V(3F)4D 21 16 209747.034 0.403 -0.992 W(3F)4F 31 -0.079 V(3F)4F 20 0.071 W(1D)2D 34 17 213220.404 0.643 0.655 V(3F)4F 20 0.635 V(1D)2D 27 -0.334 V(3F)2D 25 18 214441.572 0.598 -0.748 V(3F)4F 20 0.552 V(1D)2D 27 -0.257 V(3F)2D 25 19 217849.404 1.296 -0.735 V(1D)2P 29 0.455 V(3P)2P 28 -0.381 V(1S)2P 30 20 222312.666 1.169 -0.960 W(3D)4D 32 -0.253 W(1D)2D 34 -0.071 W(3D)2D 35 J 1.5 21 223635.248 0.829 -0.917 W(1D)2D 34 0.267 W(3D)4D 32 -0.259 W(3D)2D 35 22 226380.655 1.195 0.862 V(3P)4D 22 -0.487 V(3F)4D 21 0.112 V(3P)2D 26 23 226933.917 0.806 -0.936 W(3D)2D 35 0.241 W(1D)2D 34 0.159 V(3F)2D 25 24 228015.523 1.330 0.936 X(2P)2P 38 0.210 V(1D)2P 29 0.196 C(1S)2P 19 25 232840.218 0.805 0.933 V(3P)2D 26 -0.247 V(3F)2D 25 -0.209 V(1D)2D 27 26 235114.648 2.001 -0.997 V(3P)4S 24 -0.059 C(3P)4S 14 -0.040 V(3P)4P 23 27 242810.728 1.334 0.850 V(1S)2P 30 -0.441 V(1D)2P 29 0.200 X(2P)2P 38 28 275495.492 1.334 -0.825 V(3P)2P 28 -0.380 V(1D)2P 29 -0.275 W(1P)2P 36 29 281588.887 0.806 -0.823 V(3F)2D 25 -0.394 V(1D)2D 27 -0.300 V(3P)2D 26 30 283260.331 1.357 -0.791 W(1P)2P 36 0.373 C(1D)2P 18 -0.275 C(3P)4P 13 31 283986.734 1.677 0.902 C(3P)4P 13 -0.307 W(1P)2P 36 -0.210 C(3P)4D 12 32 286398.173 1.020 0.684 C(3P)4D 12 0.682 C(3P)2D 15 0.150 C(3P)4P 13 33 287668.074 1.328 0.574 C(3P)2P 17 -0.455 C(1D)2P 18 -0.376 W(1P)2P 36 34 288936.010 1.087 0.661 C(3P)4D 12 -0.606 C(3P)2D 15 -0.255 C(1D)2P 18 35 290471.871 1.912 -0.916 C(3P)4S 14 -0.239 C(1D)2P 18 -0.222 C(3P)4P 13 36 295243.089 0.840 -0.949 C(1D)2D 16 0.248 C(3P)2P 17 0.092 V(1D)2D 27 37 300351.072 1.311 0.717 C(1D)2P 18 0.622 C(3P)2P 17 0.213 C(1D)2D 16 38 304505.599 1.334 -0.936 C(1S)2P 19 0.224 X(2P)2P 38 -0.204 C(3P)2P 17 38 VECTORS WRITTEN TO UNIT 3 20.01 J 2.5 1 3p6 4p 2 3p6 5p 3 3p6 6p 4 3p6 7p 5 3p6 8p 6 3p6 9p 7 3p6 10p 8 3p6 11p 9 3p6 12p A 3p6 13p B 3p6 14p C 3p5 4p2 D 3p6 4f E 3p6 5f F 3p6 6f G 3p6 7f H 3p6 8f I 3p6 9f J 3p6 10f K 3p6 11f L 3p6 12f M 3p6 13f N 3p6 14f O 3p6 6h P 3p6 7h Q 3p6 8h R 3p6 9h S 3p6 10h T 3p6 8k U 3p6 9k V 3p5 3d2 W 3p5 3d4s X 3p5 4s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 68056.91 68056.657 -0.3 0.857 4f 2F -1.000 D(1S)2F 6 2 78034.39 78034.098 -0.3 0.857 5f 2F 1.000 E(1S)2F 7 3 83458.08 83458.089 0.0 0.857 6f 2F 1.000 F(1S)2F 8 4 86727.06 86727.028 0.0 0.857 7f 2F -1.000 G(1S)2F 9 5 88847.31 88847.287 0.0 0.857 8f 2F -1.000 H(1S)2F 10 6 90299.77 90299.774 0.0 0.857 9f 2F -1.000 I(1S)2F 11 7 91338.00 91338.038 0.0 0.857 10f 2F -1.000 J(1S)2F 12 8 92105.69 92105.697 0.0 0.857 11f 2F 1.000 K(1S)2F 13 9 92689.25 92689.289 0.0 0.857 12f 2F 1.000 L(1S)2F 14 10 93143.18 93143.200 0.0 0.857 13f 2F -1.000 M(1S)2F 15 11 93503.20 93503.186 0.0 0.857 14f 2F -1.000 N(1S)2F 16 12 199830.440 1.371 -0.858 V(3F)4D 19 -0.506 V(3P)4D 20 0.057 V(3F)4F 18 13 201574.880 1.600 0.995 W(3P)4P 30 0.078 V(3P)4P 21 -0.051 W(3D)4D 29 14 207964.662 1.600 -0.994 V(3P)4P 21 0.077 W(3P)4P 30 -0.057 V(3F)4D 19 15 209128.980 1.020 -0.976 W(3F)4F 28 0.127 V(3F)4G 17 -0.115 W(3F)2F 32 16 209500.502 0.595 -0.968 V(3F)4G 17 0.141 V(3F)4F 18 -0.138 W(3F)4F 28 17 212740.956 1.079 0.673 V(1D)2D 27 0.536 W(3F)2F 32 -0.336 V(3F)2D 25 18 213404.634 0.948 -0.745 W(3F)2F 32 0.421 V(3F)4F 18 0.379 V(1D)2D 27 19 214166.553 1.048 -0.851 V(3F)4F 18 0.392 V(1D)2D 27 -0.230 W(3F)2F 32 20 214599.027 0.855 0.696 V(1G)2F 23 -0.639 V(3F)2F 22 -0.220 W(3F)2F 32 J 2.5 21 221885.375 1.246 -0.840 W(3D)4D 29 -0.344 W(1F)2F 31 -0.317 V(1D)2F 24 22 222737.751 0.980 0.688 V(1D)2F 24 0.513 W(1F)2F 31 -0.480 W(3D)4D 29 23 223842.845 1.199 -0.948 W(1D)2D 33 0.204 W(3D)4D 29 0.154 W(1F)2F 31 24 225246.256 0.979 0.597 W(1F)2F 31 0.575 W(3D)2D 34 -0.525 V(1D)2F 24 25 225914.793 1.369 0.849 V(3P)4D 20 -0.508 V(3F)4D 19 0.116 V(3P)2D 26 26 226851.619 1.084 0.781 W(3D)2D 34 -0.476 W(1F)2F 31 0.301 V(1D)2F 24 27 233580.364 1.203 -0.930 V(3P)2D 26 0.260 V(3F)2D 25 0.205 V(1D)2D 27 28 259672.589 0.857 -0.737 V(3F)2F 22 -0.671 V(1G)2F 23 0.055 W(3F)2F 32 29 281292.542 1.201 -0.830 V(3F)2D 25 -0.395 V(1D)2D 27 -0.314 V(3P)2D 26 30 283387.500 1.585 0.967 C(3P)4P 2 -0.232 C(3P)4D 1 0.085 C(3P)2D 4 31 285985.732 1.334 0.847 C(3P)4D 1 0.492 C(3P)2D 4 0.155 C(3P)4P 2 32 289518.160 1.254 0.846 C(3P)2D 4 -0.474 C(3P)4D 1 -0.193 C(3P)4P 2 33 292185.191 0.948 0.854 C(1D)2F 3 -0.504 C(1D)2D 5 0.062 V(3F)2D 25 34 295214.959 1.110 -0.844 C(1D)2D 5 -0.511 C(1D)2F 3 0.081 V(1D)2D 27 34 VECTORS WRITTEN TO UNIT 3 20.01 J 3.5 1 3p6 4p 2 3p6 5p 3 3p6 6p 4 3p6 7p 5 3p6 8p 6 3p6 9p 7 3p6 10p 8 3p6 11p 9 3p6 12p A 3p6 13p B 3p6 14p C 3p5 4p2 D 3p6 4f E 3p6 5f F 3p6 6f G 3p6 7f H 3p6 8f I 3p6 9f J 3p6 10f K 3p6 11f L 3p6 12f M 3p6 13f N 3p6 14f O 3p6 6h P 3p6 7h Q 3p6 8h R 3p6 9h S 3p6 10h T 3p6 8k U 3p6 9k V 3p5 3d2 W 3p5 3d4s X 3p5 4s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 68056.91 68057.136 0.2 1.143 4f 2F -1.000 D(1S)2F 3 2 78034.39 78034.555 0.2 1.143 5f 2F 1.000 E(1S)2F 4 3 83458.08 83458.166 0.1 1.143 6f 2F 1.000 F(1S)2F 5 4 86727.06 86727.083 0.0 1.143 7f 2F 1.000 G(1S)2F 6 5 88847.31 88847.327 0.0 1.143 8f 2F -1.000 H(1S)2F 7 6 90299.77 90299.804 0.0 1.143 9f 2F -1.000 I(1S)2F 8 7 91338.00 91338.060 0.1 1.143 10f 2F -1.000 J(1S)2F 9 8 92105.69 92105.715 0.0 1.143 11f 2F 1.000 K(1S)2F 10 9 92689.25 92689.302 0.1 1.143 12f 2F 1.000 L(1S)2F 11 10 93143.18 93143.210 0.0 1.143 13f 2F -1.000 M(1S)2F 12 11 93503.20 93503.195 0.0 1.143 14f 2F -1.000 N(1S)2F 13 12 200142.776 1.428 0.842 V(3F)4D 16 0.533 V(3P)4D 17 -0.060 V(3F)4F 15 13 208406.986 1.235 -0.979 W(3F)4F 23 -0.134 W(3F)2F 26 0.099 V(3F)4G 14 14 208936.709 0.995 -0.975 V(3F)4G 14 0.164 V(3F)4F 15 -0.110 W(3F)4F 23 15 211887.420 1.146 0.966 W(3F)2F 26 -0.179 V(1D)2F 22 -0.127 W(3F)4F 23 16 213789.786 1.228 -0.969 V(3F)4F 15 -0.174 V(3F)4G 14 0.084 V(1G)2F 21 17 215343.082 1.144 -0.704 V(1G)2F 21 0.650 V(3F)2F 20 -0.216 V(1D)2F 22 18 220837.760 1.194 -0.770 V(1D)2F 22 -0.434 W(3D)4D 24 -0.394 W(1F)2F 25 19 221815.576 1.320 0.836 W(3D)4D 24 -0.418 V(1D)2F 22 -0.295 V(3F)2G 18 20 222101.775 0.935 0.898 V(3F)2G 18 0.262 V(1G)2G 19 0.228 W(3D)4D 24 J 3.5 21 225194.342 1.160 0.909 W(1F)2F 25 -0.320 V(1D)2F 22 -0.231 W(3D)4D 24 22 225444.749 1.427 0.836 V(3P)4D 17 -0.537 V(3F)4D 16 -0.057 W(1F)2F 25 23 236021.606 0.890 -0.957 V(1G)2G 19 0.284 V(3F)2G 18 0.062 V(3F)2F 20 24 260671.849 1.143 -0.725 V(3F)2F 20 -0.683 V(1G)2F 21 0.053 W(3F)2F 26 25 285520.769 1.429 0.998 C(3P)4D 1 -0.050 V(3P)4D 17 -0.032 C(1D)2F 2 26 290485.043 1.143 -0.995 C(1D)2F 2 0.066 W(3F)2F 26 0.057 V(1D)2F 22 26 VECTORS WRITTEN TO UNIT 3 20.01 J 4.5 1 3p6 4p 2 3p6 5p 3 3p6 6p 4 3p6 7p 5 3p6 8p 6 3p6 9p 7 3p6 10p 8 3p6 11p 9 3p6 12p A 3p6 13p B 3p6 14p C 3p5 4p2 D 3p6 4f E 3p6 5f F 3p6 6f G 3p6 7f H 3p6 8f I 3p6 9f J 3p6 10f K 3p6 11f L 3p6 12f M 3p6 13f N 3p6 14f O 3p6 6h P 3p6 7h Q 3p6 8h R 3p6 9h S 3p6 10h T 3p6 8k U 3p6 9k V 3p5 3d2 W 3p5 3d4s X 3p5 4s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 83553.21 83553.200 0.0 0.909 6h 2H 1.000 O(1S)2H 1 2 86789.89 86789.900 0.0 0.909 7h 2H 1.000 P(1S)2H 2 3 88890.64 88890.600 0.0 0.909 8h 2H -1.000 Q(1S)2H 3 4 90330.85 90330.900 0.0 0.909 9h 2H 1.000 R(1S)2H 4 5 91361.00 91361.000 0.0 0.909 10h 2H -1.000 S(1S)2H 5 6 207644.520 1.333 -0.996 W(3F)4F 11 -0.066 V(3F)4F 7 0.065 V(3F)4G 6 7 208306.719 1.176 -0.985 V(3F)4G 6 0.142 V(3F)4F 7 -0.073 W(3F)4F 11 8 213500.231 1.328 -0.982 V(3F)4F 7 -0.138 V(3F)4G 6 -0.114 V(3F)2G 9 9 221495.847 0.925 0.959 V(1G)2H 8 -0.226 V(3F)2G 9 -0.164 V(1G)2G 10 10 222919.292 1.099 0.914 V(3F)2G 9 0.276 V(1G)2G 10 0.268 V(1G)2H 8 11 235799.047 1.110 0.947 V(1G)2G 10 -0.309 V(3F)2G 9 0.088 V(1G)2H 8 11 VECTORS WRITTEN TO UNIT 3 20.01 J 5.5 1 3p6 4p 2 3p6 5p 3 3p6 6p 4 3p6 7p 5 3p6 8p 6 3p6 9p 7 3p6 10p 8 3p6 11p 9 3p6 12p A 3p6 13p B 3p6 14p C 3p5 4p2 D 3p6 4f E 3p6 5f F 3p6 6f G 3p6 7f H 3p6 8f I 3p6 9f J 3p6 10f K 3p6 11f L 3p6 12f M 3p6 13f N 3p6 14f O 3p6 6h P 3p6 7h Q 3p6 8h R 3p6 9h S 3p6 10h T 3p6 8k U 3p6 9k V 3p5 3d2 W 3p5 3d4s X 3p5 4s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 83553.21 83553.200 0.0 1.091 6h 2H 1.000 O(1S)2H 1 2 86789.89 86789.900 0.0 1.091 7h 2H 1.000 P(1S)2H 2 3 88890.64 88890.600 0.0 1.091 8h 2H -1.000 Q(1S)2H 3 4 90330.85 90330.900 0.0 1.091 9h 2H -1.000 R(1S)2H 4 5 91361.00 91361.000 0.0 1.091 10h 2H -1.000 S(1S)2H 5 6 207659.902 1.273 1.000 V(3F)4G 6 7 219547.424 1.091 1.000 V(1G)2H 7 7 VECTORS WRITTEN TO UNIT 3 20.01 J 6.5 1 3p6 4p 2 3p6 5p 3 3p6 6p 4 3p6 7p 5 3p6 8p 6 3p6 9p 7 3p6 10p 8 3p6 11p 9 3p6 12p A 3p6 13p B 3p6 14p C 3p5 4p2 D 3p6 4f E 3p6 5f F 3p6 6f G 3p6 7f H 3p6 8f I 3p6 9f J 3p6 10f K 3p6 11f L 3p6 12f M 3p6 13f N 3p6 14f O 3p6 6h P 3p6 7h Q 3p6 8h R 3p6 9h S 3p6 10h T 3p6 8k U 3p6 9k V 3p5 3d2 W 3p5 3d4s X 3p5 4s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 88893.11 88893.100 0.0 0.933 8k 2K 1.000 T(1S)2K 1 2 90332.42 90332.400 0.0 0.933 9k 2K 1.000 U(1S)2K 2 2 VECTORS WRITTEN TO UNIT 3 20.01 J 7.5 1 3p6 4p 2 3p6 5p 3 3p6 6p 4 3p6 7p 5 3p6 8p 6 3p6 9p 7 3p6 10p 8 3p6 11p 9 3p6 12p A 3p6 13p B 3p6 14p C 3p5 4p2 D 3p6 4f E 3p6 5f F 3p6 6f G 3p6 7f H 3p6 8f I 3p6 9f J 3p6 10f K 3p6 11f L 3p6 12f M 3p6 13f N 3p6 14f O 3p6 6h P 3p6 7h Q 3p6 8h R 3p6 9h S 3p6 10h T 3p6 8k U 3p6 9k V 3p5 3d2 W 3p5 3d4s X 3p5 4s2 OBSERVED OBSERVED CALC OBSERVED ENERGY EIGENVALUE E-O G G LABEL PRINCIPAL EIGENVECTOR COMPONENTS 1 88893.11 88893.100 0.0 1.067 8k 2K 1.000 T(1S)2K 1 2 90332.42 90332.400 0.0 1.067 9k 2K 1.000 U(1S)2K 2 2 VECTORS WRITTEN TO UNIT 3 KURUCZ job terminated at 14-NOV-2010 20:45:52.26 Accounting information: Buffered I/O count: 156 Peak working set size: 9392 Direct I/O count: 231 Peak virtual size: 322432 Page faults: 2041 Mounted volumes: 0 Charged CPU time: 0 00:00:00.19 Elapsed time: 0 00:00:01.53