$ 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 0601 $SET VER1IFY=NOIMAGE %DCL-W-IVKEYW, unrecognized keyword - check validity and spelling \VER1IFY\ $ASSIGN W0601.dat FOR007 $RUN CRAY:WAVEF 99 1.5 19. 1. 99 1.500 19.000 1.000 0.000 6.01 4.87222145903933E-01 3.35811410211148E+00 .0008634188.0011958988.0015284005.0018609258.0021934765.0025260545.0028586615 .0031912992.0035239692.0038566731.0041894125.0045221891.0048550042.0051878595 .0055207565.0058536967.0061866816.0065197126.0068527913.0071859191.0075190975 .0078523280.0081856120.0085189509.0088523463.0091857995.0095193120.0098528852 .0101865206.0105202196.0108539837.0111878142.0115217127.0118556805.0121897191 .0125238298.0128580142.0131922737.0135266097.0138610236.0141955168.0145300909 .0148647472.0151994871.0155343121.0158692236.0162042231.0165393120.0168744918 .0172097638.0175451295.0178805905.0182161480.0185518035.0188875586.0192234146 .0195593730.0198954353.0202316029.0205678772.0209042598.0212407521.0215773555 .0219140715.0222509016.0225878473.0229249100.0232620912.0235993923.0239368149 .0242743605.0246120304.0249498263.0252877496.0256258017.0259639843.0263022987 .0266407464.0269793291.0273180481.0276569050.0279959013.0283350386.0286743182 .0290137418.0293533108.0296930269.0300328914.0303729060.0307130722.0310533915 .0313938654.0317344955.0320752833.0324162305.0327573384.0330986088.0334400431 .0337816429.0341234097.0344653452.0348074509.0351497284.0354921792.0358348049 .0361776072.0365205876.0368637476.0372070889.0375506131.0378943218.0382382165 .0385822989.0389265706.0392710332.0396156883.0399605376.0403055826.0406508250 .0409962664.0413419085.0416877529.0420338012.0423800550.0427265161.0430731861 .0434200666.0437671593.0441144658.0444619879.0448097271.0451576852.0455058638 .0458542647.0462028895.0465517398.0469008175.0472501241.0475996614.0479494312 .0482994350.0486496746.0490001518.0493508682.0497018256.0500530257.0504044702 .0507561609.0511080996.0514602879.0518127276.0521654204.0525183682.0528715727 .0532250356.0535787587.0539327439.0542869928.0546415072.0549962890.0553513399 .0557066618.0560622564.0564181255.0567742710.0571306946.0574873982.0578443836 .0582016526.0585592071.0589170489.0592751798.0596336017.0599923164.0603513258 .0607106317.0610702360.0614301406.0617903474.0621508582.0625116748.0628727993 .0632342335.0635959792.0639580384.0643204130.0646831049.0650461160.0654094483 .0657731036.0661370839.0665013912.0668660273.0672309942.0675962939.0679619283 .0683278994.0686942092.0690608596.0694278526.0697951901.0701628743.0705309070 .0708992902.0712680260.0716371164.0720065634.0723763690.0727465352.0731170640 .0734879576.0738592179.0742308470.0746028469.0749752196.0753479674.0757210921 .0760945960.0764684810.0768427493.0772174029.0775924440.0779678746.0783436969 .0787199130.0790965249.0794735349.0798509450.0802287574.0806069743.0809855977 .0813646299.0817440729.0821239290.0825042004.0828848892.0832659975.0836475277 .0840294819.0844118623.0847946711.0851779105.0855615828.0859456901.0863302348 .0867152190.0871006451.0874865152.0878728316.0882595966.0886468125.0890344816 .0894226061.0898111883.0902002306.0905897353.0909797045.0913701408.0917610464 .0921524236.0925442749.0929366025.0933294087.0937226961.0941164668.0945107234 .0949054682.0953007036.0956964319.0960926557.0964893772.0968865990.0972843234 .0976825529.0980812900.0984805370.0988802965.0992805709.0996813626.1000826742 .1004845082.1008868670.1012897531.1016931691.1020971175.1025016008.1029066215 .1033121822.1037182854.1041249337.1045321296.1049398758.1053481747.1057570291 .1061664414.1065764144.1069869505.1073980525.1078097230.1082219645.1086347798 .1090481715.1094621423.1098766949.1102918318.1107075559.1111238698.1115407762 .1119582779.1123763775.1127950778.1132143815.1136342915.1140548104.1144759410 .1148976861.1153200485.1157430310.1161666364.1165908674.1170157270.1174412180 .1178673432.1182941054.1187215075.1191495525.1195782431.1200075822.1204375728 .1208682178.1212995201.1217314826.1221641082.1225974000.1230313608.1234659936 .1239013015.1243372874.1247739542.1252113051.1256493430.1260880709.1265274920 .1269676092.1274084256.1278499443.1282921683.1287351008.1291787449.1296231036 .1300681802.1305139776.1309604992.1314077480.1318557271.1323044399.1327538895 .1332040790.1336550117.1341066909.1345591197.1350123014.1354662392.1359209365 .1363763965.1368326225.1372896178.1377473858.1382059297.1386652529.1391253587 .1395862506.1400479319.1405104059.1409736761.1414377460.1419026188.1423682981 .1428347874.1433020900.1437702094.1442391492.1447089129.1451795039.1456509258 .1461231822.1465962765.1470702123.1475449933.1480206230.1484971051.1489744431 .1494526407.1499317015.1504116292.1508924275.1513741000.1518566505.1523400826 .1528244002.1533096069.1537957065.1542827028.1547705995.1552594005.1557491096 .1562397306.1567312674.1572237237.1577171036.1582114108.1587066493.1592028231 .1596999359.1601979919.1606969949.1611969489.1616978579.1621997260.1627025572 .1632063554.1637111249.1642168695.1647235935.1652313010.1657399960.1662496827 .1667603652.1672720478.1677847346.1682984297.1688131376.1693288623.1698456082 .1703633794.1708821804.1714020153.1719228886.1724448045.1729677675.1734917819 .1740168520.1745429824.1750701774.1755984415.1761277791.1766581948.1771896930 .1777222783.1782559552.1787907282.1793266020.1798635811.1804016701.1809408737 .1814811966.1820226433.1825652186.1831089273.1836537740.1841997634.1847469004 .1852951898.1858446363.1863952449.1869470202.1874999673.1880540910.1886093962 .1891658878.1897235708.1902824503.1908425311.1914038183.1919663169.1925300320 .1930949688.1936611322.1942285274.1947971595.1953670339.1959381555.1965105297 .1970841616.1976590566.1982352199.1988126569.1993913728.1999713731.2005526630 .2011352481.2017191336.2023043252.2028908281.2034786481.2040677905.2046582609 .2052500648.2058432080.2064376960.2070335343.2076307289.2082292852.2088292090 .2094305061.2100331823.2106372434.2112426951.2118495433.2124577940.2130674529 .2136785261.2142910195.2149049391.2155202910.2161370810.2167553154.2173750002 .2179961415.2186187455.2192428184.2198683664.2204953958.2211239127.2217539235 .2223854345.2230184521.2236529827.2242890326.2249266084.2255657164.2262063633 .2268485555.2274922997.2281376024.2287844702.2294329098.2300829279.2307345313 .2313877267.2320425208.2326989206.2333569328.2340165644.2346778222.2353407133 .2360052446.2366714232.2373392560.2380087503.2386799130.2393527515.2400272729 .2407034843.2413813932.2420610067.2427423322.2434253772.2441101490.2447966550 .2454849027.2461748998.2468666536.2475601719.2482554623.2489525324.2496513899 .2503520426.2510544984.2517587649.2524648501.2531727619.2538825083.2545940972 .2553075367.2560228348.2567399996.2574590394.2581799622.2589027764.2596274902 .2603541120.2610826500.2618131128.2625455087.2632798462.2640161340.2647543806 .2654945946.2662367846.2669809595.2677271280.2684752988.2692254809.2699776831 .2707319145.2714881839.2722465006.2730068734.2737693117.2745338245.2753004212 .2760691110.2768399032.2776128074.2783878328.2791649890.2799442855.2807257320 .2815093381.2822951135.2830830679.2838732111.2846655531.2854601036.2862568728 .2870558706.2878571071.2886605925.2894663369.2902743505.2910846438.2918972270 .2927121105.2935293049.2943488207.2951706685.2959948589.2968214027.2976503107 .2984815936.2993152624.3001513280.3009898015.3018306939.3026740165.3035197803 .3043679968.3052186772.3060718330.3069274755.3077856165.3086462674.3095094400 .3103751460.3112433972.3121142055.3129875829.3138635413.3147420929.3156232498 .3165070243.3173934287.3182824753.3191741766.3200685452.3209655936.3218653345 .3227677808.3236729451.3245808405.3254914799.3264048763.3273210430.3282399932 .3291617401.3300862972.3310136779.3319438958.3328769644.3338128976.3347517092 .3356934129.3366380229.3375855532.3385360178.3394894311.3404458074.3414051611 .3423675067.3433328588.3443012321.3452726414.3462471016.3472246276.3482052346 .3491889376.3501757519.3511656930.3521587762.3531550171.3541544315.3551570349 .3561628434.3571718728.3581841393.3591996590.3602184482.3612405233.3622659008 .3632945973.3643266294.3653620142.3664007684.3674429091.3684884535.3695374189 .3705898227.3716456824.3727050156.3737678401.3748341737.3759040344.3769774404 .3780544099.3791349613.3802191131.3813068838.3823982922.3834933572.3845920979 .3856945332.3868006827.3879105655.3890242014.3901416099.3912628109.3923878243 .3935166703.3946493691.3957859411.3969264069.3980707870.3992191024.4003713741 .4015276231.4026878707.4038521385.4050204480.4061928209.4073692792.4085498450 .4097345404.4109233880.4121164102.4133136298.4145150698.4157207531.4169307031 .4181449432.4193634969.4205863881.4218136408.4230452790.4242813271.4255218097 .4267667513.4280161770.4292701118.4305285810.4317916101.4330592246.4343314507 .4356083142.4368898415.4381760590.4394669936.4407626720.4420631215.4433683694 .4446784431.4459933706.4473131799.4486378991.4499675567.4513021815.4526418023 .4539864484.4553361492.4566909343.4580508335.4594158772.4607860955.4621615193 .4635421795.4649281071.4663193336.4677158908.4691178106.4705251253.4719378673 .4733560695.4747797650.4762089871.4776437696.4790841463.4805301515.4819818197 .4834391859.4849022853.4863711532.4878458254.4893263382.4908127280.4923050315 .4938032858.4953075284.4968177970.4983341299.4998565655.5013851425.5029199004 .5044608785.5060081169.5075616558.5091215360.5106877984.5122604847.5138396367 .5154252965.5170175070.5186163111.5202217525.5218338749.5234527229.5250783411 .5267107748.5283500698.5299962721.5316494283.5333095856.5349767914.5366510939 .5383325415.5400211833.5417170687.5434202479.5451307713.5468486901.5485740559 .5503069209.5520473377.5537953597.5555510406.5573144350.5590855979.5608645848 .5626514519.5644462562.5662490551.5680599067.5698788697.5717060036.5735413683 .5753850248.5772370344.5790974593.5809663623.5828438071.5847298579.5866245800 .5885280391.5904403018.5923614356.5942915088.5962305904.5981787502.6001360591 .6021025887.6040784114.6060636007.6080582309.6100623772.6120761158.6140995240 .6161326799.6181756626.6202285524.6222914305.6243643793.6264474821.6285408234 .6306444891.6327585658.6348831415.6370183055.6391641483.6413207614.6434882380 .6456666723.6478561599.6500567980.6522686848.6544919202.6567266056.6589728438 .6612307392.6635003975.6657819265.6680754352.6703810344.6726988369.6750289568 .6773715104.6797266157.6820943925.6844749627.6868684501.6892749806.6916946823 .6941276853.6965741218.6990341267.7015078368.7039953915.7064969327.7090126048 .7115425547.7140869320.7166458894.7192195820.7218081680.7244118087.7270306684 .7296649146.7323147183.7349802537.7376616985.7403592342.7430730460.7458033230 .7485502582.7513140490.7540948969.7568930079.7597085926.7625418664.7653930499 .7682623684.7711500530.7740563400.7769814718.7799256966.7828892690.7858724500 .7888755075.7918987166.7949423595.7980067266.8010921161.8041988347.8073271981 .8104775313.8136501692.8168454567.8200637499.8233054162.8265708347.8298603977 .8331745107.8365135932.8398780802.8432684223.8466850873.8501285610.8535993486 .8570979760.8606249909.8641809649.8677664951.8713822060.8750287518.8787068187 .8824171279.8861604385.8899375512.8937493121.8975966177.9014804194.9054017303 .9093616319.9133612826.9174019270.9214849082.9256116812.9297838301.9340030889 .9382713672.9425907833.9469637060.9513928098.9558811488.9604322589.9650503032 .9697402888.9745084061.9793626005.9843136313.9893773447.9945809721 6.01 0.48722214590393E+00 0.33581141021115E+01 RZERO=0.16361475590210E+01 196664.7 200562. 196664.700 200562.000 0.0 0.0 0.0 0.0 1 2s2 2s2 2s2 9927.6 0.0 10000.0 0.0 0.0 0.0 0.0 1 2s2 2s2 2s2 9927.6 0.0 10000.0 0.0 0.0 0.0 0.0 2 2s3s 2s3s 2s3s 242325.2 230868.4 10000.0 0.0 0.0 0.0 0.0 2 2s3s 2s3s 2s3s 242325.2 230868.4 10000.0 0.0 0.0 0.0 0.0 D 2s3d 2s3d 2s3d 272210.2 261040.0 10000.0 0.0 0.0 0.0 0.0 D 2s3d 2s3d 2s3d 272210.2 261040.0 10000.0 0.0 0.0 0.0 0.0 X 2p2 2p2 2p2 143928.1 134261.2 8500.0 0.0 0.0 0.0 0.0 X 2p2 2p2 2p2 143928.1 134261.2 8500.0 0.0 0.0 0.0 0.0 Y 2p3p 2p3p 2p3p 326426.0 316266.7 8500.0 0.0 0.0 0.0 0.0 Y 2p3p 2p3p 2p3p 326426.0 316266.7 8500.0 0.0 0.0 0.0 0.0 j 2p4f 2p4f 2p4f 388891.9 379890.8 8500.0 0.0 0.0 0.0 0.0 j 2p4f 2p4f 2p4f 388891.9 379890.8 8500.0 0.0 0.0 0.0 0.0 1 2s2p 2s2p 2s2p 66057.6 54186.4 10000.0 0.0 0.0 0.0 0.0 1 2s2p 2s2p 2s2p 66057.6 54186.4 10000.0 0.0 0.0 0.0 0.0 2 2s3p 2s3p 2s3p 261153.7 250496.3 10000.0 0.0 0.0 0.0 0.0 2 2s3p 2s3p 2s3p 261153.7 250496.3 10000.0 0.0 0.0 0.0 0.0 D 2p3s 2p3s 2p3s 309334.0 299101.9 8500.0 0.0 0.0 0.0 0.0 D 2p3s 2p3s 2p3s 309334.0 299101.9 8500.0 0.0 0.0 0.0 0.0 E 2p4s 2p4s 2p4s 376695.4 367926.4 8500.0 0.0 0.0 0.0 0.0 E 2p4s 2p4s 2p4s 376695.4 367926.4 8500.0 0.0 0.0 0.0 0.0 O 2p3d 2p3d 2p3d 336936.1 326591.2 8500.0 0.0 0.0 0.0 0.0 O 2p3d 2p3d 2p3d 336936.1 326591.2 8500.0 0.0 0.0 0.0 0.0 Z 2s4f 2s4f 2s4f 323604.9 314364.9 10000.0 0.0 0.0 0.0 0.0 Z 2s4f 2s4f 2s4f 323604.9 314364.9 10000.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1 2p 2s2p 2s 7033.1 0.0 -3898.0 0.0 0.0 0.0 0.0 1 2p 2s2p 2s 7033.1 0.0 -3898.0 1 6.01 CONFIG=2p 2s2p L=0 ELIM= 262722.300 N= 2 E= 7033.100 E= -2.33001155 Z=2.0000 L=0.0000 STEP=-.0500 NUM= 3000 NSAVE= 3000 IRREG=0 IFITER=99 NNODES= 1 NUMR 2380 NUMS 2380 NUML 2996 RS 31.087 RL 0.250 DEL 0.50048495 RSCALE 1.50000000 DEL 0.52119365 RSCALE 1.48543952 DEL 0.50048637 RSCALE 1.50000000 DEL 0.47922484 RSCALE 1.51470320 DEL 0.45739020 RSCALE 1.52955052 DEL 0.43496254 RSCALE 1.54454338 DEL 0.41192084 RSCALE 1.55968321 DEL 0.38824292 RSCALE 1.57497143 DEL 0.36390530 RSCALE 1.59040951 DEL 0.33888317 RSCALE 1.60599892 DEL 0.31315022 RSCALE 1.62174113 DEL 0.28667863 RSCALE 1.63763766 DEL 0.25943884 RSCALE 1.65369000 DEL 0.23139952 RSCALE 1.66989969 DEL 0.20252738 RSCALE 1.68626827 DEL 0.17278702 RSCALE 1.70279730 DEL 0.14214077 RSCALE 1.71948835 DEL 0.11054853 RSCALE 1.73634300 DEL 0.07796751 RSCALE 1.75336287 DEL 0.04435209 RSCALE 1.77054957 DEL 0.00965350 RSCALE 1.78790473 DEL -0.00013816 RSCALE 1.79273311 DEL 0.00000042 RSCALE 1.79266498 DEL 0.00000000 RSCALE 1.79266519 CNORM= 8.99193E-01 0.0500 2.585E-01 I X 0.1000 3.729E-01 I X 0.1500 3.913E-01 I X 0.2000 3.472E-01 I X 0.2500 2.642E-01 I X 0.3000 1.590E-01 I X 0.3500 4.342E-02 I X 0.4000 -7.465E-02 X I 0.4500 -1.897E-01 X I 0.5000 -2.983E-01 X I 0.5500 -3.981E-01 X I 0.6000 -4.880E-01 X I 0.6500 -5.673E-01 X I 0.7000 -6.362E-01 X I 0.7500 -6.948E-01 X I 0.8000 -7.436E-01 X I 0.8500 -7.833E-01 X I 0.9000 -8.145E-01 X I 0.9500 -8.381E-01 X I 1.0000 -8.547E-01 X I 1.1000 -8.699E-01 X I 1.2000 -8.655E-01 X I 1.3000 -8.463E-01 X I 1.4000 -8.162E-01 X I 1.5000 -7.786E-01 X I 1.6000 -7.360E-01 X I 1.7000 -6.904E-01 X I 1.8000 -6.436E-01 X I 1.9000 -5.967E-01 X I 2.0000 -5.506E-01 X I 2.1000 -5.060E-01 X I 2.2000 -4.634E-01 X I 2.3000 -4.230E-01 X I 2.4000 -3.850E-01 X I 2.5000 -3.495E-01 X I 2.6000 -3.166E-01 X I 2.7000 -2.861E-01 X I 2.8000 -2.581E-01 X I 2.9000 -2.324E-01 X I 3.0000 -2.089E-01 X I 3.1000 -1.875E-01 X I 3.2000 -1.680E-01 X I 3.3000 -1.504E-01 X I 3.4000 -1.344E-01 X I 3.5000 -1.200E-01 X I 3.6000 -1.070E-01 X I 3.7000 -9.530E-02 X I 3.8000 -8.480E-02 X I 3.9000 -7.539E-02 X I 4.0000 -6.696E-02 X I 4.1000 -5.942E-02 X I 4.2000 -5.269E-02 X I 4.3000 -4.668E-02 X I 4.4000 -4.133E-02 X I 4.5000 -3.656E-02 X I 4.6000 -3.233E-02 X I 4.7000 -2.856E-02 X I 4.8000 -2.522E-02 X I 4.9000 -2.225E-02 XI 5.0000 -1.963E-02 XI 5.2000 -1.524E-02 XI 5.4000 -1.181E-02 XI 5.6000 -9.139E-03 XI 0.0 0.0 0.0 0.0 1 2p 2s2 2p 7033.1 0.0 -3898.0 0.0 0.0 0.0 0.0 1 2p 2s2 2p 7033.1 0.0 -3898.0 1 6.01 CONFIG=2p 2s2 L=1 ELIM= 206592.300 N= 2 E= 7033.100 E= -1.81851733 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 3000 NSAVE= 3000 IRREG=0 IFITER=99 NNODES= 0 NUMR 2380 NUMS 2380 NUML 2991 RS 31.087 RL 0.500 DEL 1.17264631 RSCALE 1.50000000 DEL 1.25747031 RSCALE 1.48543952 DEL 1.17264397 RSCALE 1.50000000 DEL 1.09187931 RSCALE 1.51470320 DEL 1.01490888 RSCALE 1.52955052 DEL 0.94148797 RSCALE 1.54454338 DEL 0.87139218 RSCALE 1.55968321 DEL 0.80441539 RSCALE 1.57497143 DEL 0.74036795 RSCALE 1.59040951 DEL 0.67907507 RSCALE 1.60599892 DEL 0.62037537 RSCALE 1.62174113 DEL 0.56411966 RSCALE 1.63763766 DEL 0.51016977 RSCALE 1.65369000 DEL 0.45839761 RSCALE 1.66989969 DEL 0.40868422 RSCALE 1.68626827 DEL 0.36091900 RSCALE 1.70279730 DEL 0.31499900 RSCALE 1.71948835 DEL 0.27082822 RSCALE 1.73634300 DEL 0.22831712 RSCALE 1.75336287 DEL 0.18738201 RSCALE 1.77054957 DEL 0.14794463 RSCALE 1.78790473 DEL 0.10993168 RSCALE 1.80543001 DEL 0.07327449 RSCALE 1.82312708 DEL 0.03790861 RSCALE 1.84099762 DEL 0.00377351 RSCALE 1.85904332 DEL 0.00009298 RSCALE 1.86103821 DEL 0.00000023 RSCALE 1.86108861 DEL 0.00000000 RSCALE 1.86108873 CNORM= 1.09607E+00 0.0500 1.992E-02 IX 0.1000 6.909E-02 I X 0.1500 1.354E-01 I X 0.2000 2.102E-01 I X 0.2500 2.879E-01 I X 0.3000 3.645E-01 I X 0.3500 4.373E-01 I X 0.4000 5.046E-01 I X 0.4500 5.656E-01 I X 0.5000 6.197E-01 I X 0.5500 6.668E-01 I X 0.6000 7.071E-01 I X 0.6500 7.407E-01 I X 0.7000 7.680E-01 I X 0.7500 7.896E-01 I X 0.8000 8.057E-01 I X 0.8500 8.170E-01 I X 0.9000 8.238E-01 I X 0.9500 8.267E-01 I X 1.0000 8.260E-01 I X 1.1000 8.157E-01 I X 1.2000 7.957E-01 I X 1.3000 7.686E-01 I X 1.4000 7.364E-01 I X 1.5000 7.007E-01 I X 1.6000 6.630E-01 I X 1.7000 6.242E-01 I X 1.8000 5.853E-01 I X 1.9000 5.467E-01 I X 2.0000 5.091E-01 I X 2.1000 4.726E-01 I X 2.2000 4.377E-01 I X 2.3000 4.045E-01 I X 2.4000 3.729E-01 I X 2.5000 3.432E-01 I X 2.6000 3.154E-01 I X 2.7000 2.893E-01 I X 2.8000 2.649E-01 I X 2.9000 2.423E-01 I X 3.0000 2.213E-01 I X 3.1000 2.019E-01 I X 3.2000 1.840E-01 I X 3.3000 1.674E-01 I X 3.4000 1.522E-01 I X 3.5000 1.383E-01 I X 3.6000 1.255E-01 I X 3.7000 1.137E-01 I X 3.8000 1.030E-01 I X 3.9000 9.324E-02 I X 4.0000 8.432E-02 I X 4.1000 7.619E-02 I X 4.2000 6.880E-02 I X 4.3000 6.208E-02 I X 4.4000 5.598E-02 I X 4.5000 5.044E-02 I X 4.6000 4.543E-02 I X 4.7000 4.089E-02 I X 4.8000 3.678E-02 I X 4.9000 3.307E-02 I X 5.0000 2.971E-02 I X 5.2000 2.395E-02 I X 5.4000 1.927E-02 IX 5.6000 1.548E-02 IX 5.8000 1.242E-02 IX 6.0000 9.940E-03 IX 0.0 0.0 0.0 0.0 2 3p 2s3p 2s 133363.6 135883.0 -3898.0 0.0 0.0 0.0 0.0 2 3p 2s3p 2s 133363.6 135883.0 -3898.0 2 6.01 CONFIG=3p 2s3p L=0 ELIM= 457818.400 N= 2 E= 133363.600 E= -2.95664984 Z=2.0000 L=0.0000 STEP=-.0500 NUM= 3000 NSAVE= 3000 IRREG=0 IFITER=99 NNODES= 1 NUMR 2380 NUMS 2380 NUML 2996 RS 31.087 RL 0.250 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 DEL 0.99407651 RSCALE 1.54500000 RMAX -1.00000000 RMIN 1.53000271 RSCALE 1.53750135 RMAX -1.00000000 RMIN 1.53750135 RSCALE 1.54125068 DEL 0.99735430 RSCALE 1.54125068 DEL 0.98409569 RSCALE 1.55635822 DEL 0.97056941 RSCALE 1.57161385 DEL 0.95677025 RSCALE 1.58701902 DEL 0.94269280 RSCALE 1.60257520 DEL 0.92833140 RSCALE 1.61828385 DEL 0.91368014 RSCALE 1.63414649 DEL 0.89873285 RSCALE 1.65016461 DEL 0.88348309 RSCALE 1.66633975 DEL 0.86792415 RSCALE 1.68267343 DEL 0.85204899 RSCALE 1.69916722 DEL 0.83585029 RSCALE 1.71582269 DEL 0.81932037 RSCALE 1.73264141 DEL 0.80245122 RSCALE 1.74962500 DEL 0.78523445 RSCALE 1.76677505 DEL 0.76766131 RSCALE 1.78409322 DEL 0.74972261 RSCALE 1.80158114 DEL 0.73140877 RSCALE 1.81924048 DEL 0.71270972 RSCALE 1.83707292 DEL 0.69361494 RSCALE 1.85508015 DEL 0.67411342 RSCALE 1.87326390 DEL 0.65419358 RSCALE 1.89162588 DEL 0.63384331 RSCALE 1.91016785 DEL 0.61304990 RSCALE 1.92889157 DEL 0.59180001 RSCALE 1.94779883 DEL 0.57007963 RSCALE 1.96689141 DEL 0.54787407 RSCALE 1.98617115 DEL 0.52516785 RSCALE 2.00563986 DEL 0.50194474 RSCALE 2.02529941 DEL 0.47818763 RSCALE 2.04515167 DEL 0.45387854 RSCALE 2.06519852 DEL 0.42899853 RSCALE 2.08544187 DEL 0.40352764 RSCALE 2.10588365 DEL 0.37744481 RSCALE 2.12652581 DEL 0.35072787 RSCALE 2.14737030 DEL 0.32335337 RSCALE 2.16841911 DEL 0.29529658 RSCALE 2.18967424 DEL 0.26653133 RSCALE 2.21113772 DEL 0.23702997 RSCALE 2.23281159 DEL 0.20676320 RSCALE 2.25469791 DEL 0.17570003 RSCALE 2.27679876 DEL 0.14380757 RSCALE 2.29911625 DEL 0.11105094 RSCALE 2.32165249 DEL 0.07739311 RSCALE 2.34440964 DEL 0.04279474 RSCALE 2.36738986 DEL 0.00721398 RSCALE 2.39059533 DEL -0.00008075 RSCALE 2.39530023 DEL 0.00000015 RSCALE 2.39524815 DEL 0.00000000 RSCALE 2.39524824 CNORM= 7.41763E-01 0.0500 2.934E-01 I X 0.1000 4.210E-01 I X 0.1500 4.373E-01 I X 0.2000 3.811E-01 I X 0.2500 2.803E-01 I X 0.3000 1.547E-01 I X 0.3500 1.828E-02 IX 0.4000 -1.194E-01 X I 0.4500 -2.520E-01 X I 0.5000 -3.752E-01 X I 0.5500 -4.865E-01 X I 0.6000 -5.847E-01 X I 0.6500 -6.694E-01 X I 0.7000 -7.407E-01 X I 0.7500 -7.990E-01 X I 0.8000 -8.453E-01 X I 0.8500 -8.805E-01 X I 0.9000 -9.056E-01 X I 0.9500 -9.216E-01 X I 1.0000 -9.297E-01 X I 1.1000 -9.256E-01 X I 1.2000 -9.006E-01 X I 1.3000 -8.608E-01 X I 1.4000 -8.112E-01 X I 1.5000 -7.558E-01 X I 1.6000 -6.975E-01 X I 1.7000 -6.387E-01 X I 1.8000 -5.810E-01 X I 1.9000 -5.254E-01 X I 2.0000 -4.729E-01 X I 2.1000 -4.238E-01 X I 2.2000 -3.784E-01 X I 2.3000 -3.368E-01 X I 2.4000 -2.989E-01 X I 2.5000 -2.645E-01 X I 2.6000 -2.336E-01 X I 2.7000 -2.059E-01 X I 2.8000 -1.811E-01 X I 2.9000 -1.590E-01 X I 3.0000 -1.394E-01 X I 3.1000 -1.220E-01 X I 3.2000 -1.067E-01 X I 3.3000 -9.316E-02 X I 3.4000 -8.126E-02 X I 3.5000 -7.081E-02 X I 3.6000 -6.163E-02 X I 3.7000 -5.360E-02 X I 3.8000 -4.657E-02 X I 3.9000 -4.043E-02 X I 4.0000 -3.508E-02 X I 4.1000 -3.041E-02 X I 4.2000 -2.634E-02 X I 4.3000 -2.280E-02 XI 4.4000 -1.972E-02 XI 4.5000 -1.705E-02 XI 4.6000 -1.474E-02 XI 4.7000 -1.272E-02 XI 4.8000 -1.098E-02 XI 4.9000 -9.475E-03 XI 0.0 0.0 0.0 0.0 2 3p 2s2 3p 133363.6 135883.0 -3898.0 0.0 0.0 0.0 0.0 2 3p 2s2 3p 133363.6 135883.0 -3898.0 2 6.01 CONFIG=3p 2s2 L=1 ELIM= 206592.300 N= 3 E= 133363.600 E= -0.66730905 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 4800 NSAVE= 4800 IRREG=0 IFITER=99 NNODES= 1 NUMR 4180 NUMS 4180 NUML 4791 RS 31.087 RL 0.500 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 RMAX -1.00000000 RMIN 1.54500000 RSCALE 1.59135000 DEL 61.44223492 RSCALE 1.59135000 DEL 156.26786500 RSCALE 1.57590279 DEL 61.44742135 RSCALE 1.59135000 DEL 43.72833338 RSCALE 1.60136041 DEL 29.82151554 RSCALE 1.61705716 DEL 22.35982068 RSCALE 1.63290777 DEL 17.70615267 RSCALE 1.64891375 DEL 14.52678365 RSCALE 1.66507662 DEL 12.21718639 RSCALE 1.68139793 DEL 10.46360914 RSCALE 1.69787921 DEL 9.08701540 RSCALE 1.71452205 DEL 7.97779015 RSCALE 1.73132803 DEL 7.06506597 RSCALE 1.74829874 DEL 6.30099253 RSCALE 1.76543580 DEL 5.65209393 RSCALE 1.78274083 DEL 5.09424825 RSCALE 1.80021550 DEL 4.60963390 RSCALE 1.81786145 DEL 4.18479870 RSCALE 1.83568037 DEL 3.80939823 RSCALE 1.85367396 DEL 3.47534758 RSCALE 1.87184392 DEL 3.17623636 RSCALE 1.89019198 DEL 2.90691649 RSCALE 1.90871990 DEL 2.66320602 RSCALE 1.92742943 DEL 2.44167254 RSCALE 1.94632235 DEL 2.23947271 RSCALE 1.96540046 DEL 2.05423089 RSCALE 1.98466558 DEL 1.88394679 RSCALE 2.00411954 DEL 1.72692394 RSCALE 2.02376419 DEL 1.58171433 RSCALE 2.04360139 DEL 1.44707439 RSCALE 2.06363305 DEL 1.32192999 RSCALE 2.08386106 DEL 1.20534859 RSCALE 2.10428734 DEL 1.09651663 RSCALE 2.12491385 DEL 0.99472094 RSCALE 2.14574254 DEL 0.89933379 RSCALE 2.16677540 DEL 0.80980103 RSCALE 2.18801442 DEL 0.72562949 RSCALE 2.20946163 DEL 0.64638124 RSCALE 2.23111907 DEL 0.57166503 RSCALE 2.25298880 DEL 0.50112993 RSCALE 2.27507289 DEL 0.43446045 RSCALE 2.29737346 DEL 0.37137217 RSCALE 2.31989263 DEL 0.31160808 RSCALE 2.34263252 DEL 0.25493510 RSCALE 2.36559532 DEL 0.20114136 RSCALE 2.38878320 DEL 0.15003392 RSCALE 2.41219838 DEL 0.10143673 RSCALE 2.43584307 DEL 0.05518861 RSCALE 2.45971953 DEL 0.01114175 RSCALE 2.48383003 DEL 0.00039775 RSCALE 2.48992883 DEL 0.00000298 RSCALE 2.49015462 DEL 0.00000000 RSCALE 2.49015632 CNORM= 9.85060E-01 0.0500 8.949E-03 IX 0.1000 3.092E-02 I X 0.1500 6.019E-02 I X 0.2000 9.269E-02 I X 0.2500 1.256E-01 I X 0.3000 1.568E-01 I X 0.3500 1.852E-01 I X 0.4000 2.098E-01 I X 0.4500 2.302E-01 I X 0.5000 2.462E-01 I X 0.5500 2.578E-01 I X 0.6000 2.651E-01 I X 0.6500 2.682E-01 I X 0.7000 2.675E-01 I X 0.7500 2.633E-01 I X 0.8000 2.558E-01 I X 0.8500 2.453E-01 I X 0.9000 2.323E-01 I X 0.9500 2.170E-01 I X 1.0000 1.997E-01 I X 1.1000 1.603E-01 I X 1.2000 1.161E-01 I X 1.3000 6.877E-02 I X 1.4000 1.987E-02 I X 1.5000 -2.945E-02 X I 1.6000 -7.825E-02 X I 1.7000 -1.258E-01 X I 1.8000 -1.715E-01 X I 1.9000 -2.149E-01 X I 2.0000 -2.558E-01 X I 2.1000 -2.939E-01 X I 2.2000 -3.291E-01 X I 2.3000 -3.614E-01 X I 2.4000 -3.906E-01 X I 2.5000 -4.169E-01 X I 2.6000 -4.403E-01 X I 2.7000 -4.609E-01 X I 2.8000 -4.787E-01 X I 2.9000 -4.940E-01 X I 3.0000 -5.067E-01 X I 3.1000 -5.171E-01 X I 3.2000 -5.253E-01 X I 3.3000 -5.313E-01 X I 3.4000 -5.354E-01 X I 3.5000 -5.377E-01 X I 3.6000 -5.383E-01 X I 3.7000 -5.373E-01 X I 3.8000 -5.349E-01 X I 3.9000 -5.312E-01 X I 4.0000 -5.262E-01 X I 4.1000 -5.202E-01 X I 4.2000 -5.131E-01 X I 4.3000 -5.052E-01 X I 4.4000 -4.965E-01 X I 4.5000 -4.871E-01 X I 4.6000 -4.772E-01 X I 4.7000 -4.667E-01 X I 4.8000 -4.557E-01 X I 4.9000 -4.444E-01 X I 5.0000 -4.329E-01 X I 5.2000 -4.091E-01 X I 5.4000 -3.848E-01 X I 5.6000 -3.605E-01 X I 5.8000 -3.364E-01 X I 6.0000 -3.127E-01 X I 6.2000 -2.898E-01 X I 6.4000 -2.678E-01 X I 6.6000 -2.467E-01 X I 6.8000 -2.267E-01 X I 7.0000 -2.078E-01 X I 7.2000 -1.900E-01 X I 7.4000 -1.733E-01 X I 7.6000 -1.578E-01 X I 7.8000 -1.434E-01 X I 8.0000 -1.301E-01 X I 8.2000 -1.178E-01 X I 8.4000 -1.065E-01 X I 8.6000 -9.613E-02 X I 8.8000 -8.663E-02 X I 9.0000 -7.797E-02 X I 9.2000 -7.007E-02 X I 9.4000 -6.290E-02 X I 9.6000 -5.639E-02 X I 9.8000 -5.049E-02 X I 10.0000 -4.516E-02 X I 10.2500 -3.922E-02 X I 10.5000 -3.401E-02 X I 10.7500 -2.944E-02 X I 11.0000 -2.546E-02 X I 11.2500 -2.198E-02 X I 11.5000 -1.895E-02 X I 11.7500 -1.632E-02 X I 12.0000 -1.403E-02 XI 12.2500 -1.206E-02 XI 12.5000 -1.035E-02 XI 12.7500 -8.870E-03 XI 13.0000 -7.596E-03 XI 13.2500 -6.499E-03 XI 13.5000 -5.555E-03 XI 0.0 0.0 0.0 0.0 3 4p 2s2 4p 163613.5 167273.7 -3898.0 0.0 0.0 0.0 0.0 3 4p 2s2 4p 163613.5 167273.7 -3898.0 3 6.01 CONFIG=4p 2s2 L=1 ELIM= 206592.300 N= 4 E= 163613.500 E= -0.39165166 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 6300 NSAVE= 6300 IRREG=0 IFITER=99 NNODES= 2 NUMR 5680 NUMS 5680 NUML 6291 RS 31.087 RL 0.500 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 12.27891809 RSCALE 3.53484826 DEL 74.94645507 RSCALE 3.50053554 DEL 12.27891809 RSCALE 3.53484826 DEL 10.40814143 RSCALE 3.54157141 DEL 5.56358100 RSCALE 3.57628636 DEL 3.55946197 RSCALE 3.61134160 DEL 2.46397867 RSCALE 3.64674046 DEL 1.77337541 RSCALE 3.68248629 DEL 1.29820222 RSCALE 3.71858252 DEL 0.95126225 RSCALE 3.75503256 DEL 0.68682667 RSCALE 3.79183990 DEL 0.47860297 RSCALE 3.82900802 DEL 0.31040064 RSCALE 3.86654047 DEL 0.17170469 RSCALE 3.90444082 DEL 0.05538916 RSCALE 3.94271267 DEL 0.00669449 RSCALE 3.96093763 DEL 0.00029539 RSCALE 3.96344317 DEL 0.00000165 RSCALE 3.96355883 DEL 0.00000000 RSCALE 3.96355948 CNORM= 9.84340E-01 0.0500 6.508E-03 IX 0.1000 2.240E-02 I X 0.1500 4.335E-02 I X 0.2000 6.620E-02 I X 0.2500 8.872E-02 I X 0.3000 1.094E-01 I X 0.3500 1.272E-01 I X 0.4000 1.414E-01 I X 0.4500 1.519E-01 I X 0.5000 1.585E-01 I X 0.5500 1.613E-01 I X 0.6000 1.605E-01 I X 0.6500 1.562E-01 I X 0.7000 1.489E-01 I X 0.7500 1.389E-01 I X 0.8000 1.265E-01 I X 0.8500 1.121E-01 I X 0.9000 9.596E-02 I X 0.9500 7.851E-02 I X 1.0000 6.003E-02 I X 1.1000 2.109E-02 I X 1.2000 -1.880E-02 X I 1.3000 -5.799E-02 X I 1.4000 -9.516E-02 X I 1.5000 -1.293E-01 X I 1.6000 -1.598E-01 X I 1.7000 -1.861E-01 X I 1.8000 -2.080E-01 X I 1.9000 -2.253E-01 X I 2.0000 -2.381E-01 X I 2.1000 -2.465E-01 X I 2.2000 -2.507E-01 X I 2.3000 -2.509E-01 X I 2.4000 -2.474E-01 X I 2.5000 -2.406E-01 X I 2.6000 -2.307E-01 X I 2.7000 -2.180E-01 X I 2.8000 -2.029E-01 X I 2.9000 -1.857E-01 X I 3.0000 -1.666E-01 X I 3.1000 -1.460E-01 X I 3.2000 -1.242E-01 X I 3.3000 -1.013E-01 X I 3.4000 -7.765E-02 X I 3.5000 -5.342E-02 X I 3.6000 -2.882E-02 X I 3.7000 -4.033E-03 XI 3.8000 2.078E-02 I X 3.9000 4.548E-02 I X 4.0000 6.992E-02 I X 4.1000 9.399E-02 I X 4.2000 1.176E-01 I X 4.3000 1.406E-01 I X 4.4000 1.630E-01 I X 4.5000 1.846E-01 I X 4.6000 2.055E-01 I X 4.7000 2.256E-01 I X 4.8000 2.447E-01 I X 4.9000 2.630E-01 I X 5.0000 2.804E-01 I X 5.2000 3.123E-01 I X 5.4000 3.403E-01 I X 5.6000 3.644E-01 I X 5.8000 3.848E-01 I X 6.0000 4.015E-01 I X 6.2000 4.146E-01 I X 6.4000 4.245E-01 I X 6.6000 4.312E-01 I X 6.8000 4.349E-01 I X 7.0000 4.360E-01 I X 7.2000 4.347E-01 I X 7.4000 4.312E-01 I X 7.6000 4.258E-01 I X 7.8000 4.187E-01 I X 8.0000 4.101E-01 I X 8.2000 4.002E-01 I X 8.4000 3.892E-01 I X 8.6000 3.774E-01 I X 8.8000 3.649E-01 I X 9.0000 3.518E-01 I X 9.2000 3.384E-01 I X 9.4000 3.247E-01 I X 9.6000 3.108E-01 I X 9.8000 2.969E-01 I X 10.0000 2.830E-01 I X 10.2500 2.659E-01 I X 10.5000 2.491E-01 I X 10.7500 2.327E-01 I X 11.0000 2.169E-01 I X 11.2500 2.017E-01 I X 11.5000 1.871E-01 I X 11.7500 1.732E-01 I X 12.0000 1.601E-01 I X 12.2500 1.476E-01 I X 12.5000 1.359E-01 I X 12.7500 1.249E-01 I X 13.0000 1.146E-01 I X 13.2500 1.050E-01 I X 13.5000 9.604E-02 I X 13.7500 8.773E-02 I X 14.0000 8.003E-02 I X 14.2500 7.291E-02 I X 14.5000 6.634E-02 I X 14.7500 6.029E-02 I X 15.0000 5.472E-02 I X 15.5000 4.494E-02 I X 16.0000 3.676E-02 I X 16.5000 2.995E-02 I X 17.0000 2.431E-02 I X 17.5000 1.967E-02 I X 18.0000 1.587E-02 I X 18.5000 1.276E-02 I X 19.0000 1.023E-02 IX 19.5000 8.187E-03 IX 20.0000 6.532E-03 IX 20.5000 5.200E-03 IX HF 0.0 0.0 0.0 0.0 4 5p 2s2 5p 176513.0 180137.6 -3898.0 HF 0.0 0.0 0.0 0.0 4 5p 2s2 5p 176513.0 180137.6 -3898.0 4 6.01 CONFIG=5p 2s2 L=1 ELIM= 200562.000 N= 5 E= 180137.600HF E= -0.18612084 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 9400 NSAVE= 9400 IRREG=0 IFITER=99 NNODES= 3 NUMR 8780 NUMS 8780 NUML 9391 RS 31.087 RL 0.500 DEL 0.54968401 RSCALE 1.50000000 DEL 0.59558514 RSCALE 1.48543952 DEL 0.54969426 RSCALE 1.50000000 DEL 0.50535018 RSCALE 1.51470320 DEL 0.46248378 RSCALE 1.52955052 DEL 0.42102959 RSCALE 1.54454338 DEL 0.38092563 RSCALE 1.55968321 DEL 0.34211319 RSCALE 1.57497143 DEL 0.30453668 RSCALE 1.59040951 DEL 0.26814347 RSCALE 1.60599892 DEL 0.23288368 RSCALE 1.62174113 DEL 0.19871005 RSCALE 1.63763766 DEL 0.16557774 RSCALE 1.65369000 DEL 0.13344422 RSCALE 1.66989969 DEL 0.10226912 RSCALE 1.68626827 DEL 0.07201408 RSCALE 1.70279730 DEL 0.04264267 RSCALE 1.71948835 DEL 0.01412027 RSCALE 1.73634300 DEL 0.00040338 RSCALE 1.74468705 DEL 0.00000393 RSCALE 1.74493243 DEL 0.00000000 RSCALE 1.74493485 CNORM= 9.98969E-01 0.0500 3.165E-03 IX 0.1000 1.097E-02 I X 0.1500 2.147E-02 I X 0.2000 3.329E-02 I X 0.2500 4.547E-02 I X 0.3000 5.734E-02 I X 0.3500 6.847E-02 I X 0.4000 7.854E-02 I X 0.4500 8.739E-02 I X 0.5000 9.490E-02 I X 0.5500 1.010E-01 I X 0.6000 1.058E-01 I X 0.6500 1.092E-01 I X 0.7000 1.113E-01 I X 0.7500 1.122E-01 I X 0.8000 1.120E-01 I X 0.8500 1.106E-01 I X 0.9000 1.083E-01 I X 0.9500 1.050E-01 I X 1.0000 1.010E-01 I X 1.1000 9.059E-02 I X 1.2000 7.779E-02 I X 1.3000 6.311E-02 I X 1.4000 4.703E-02 I X 1.5000 3.000E-02 I X 1.6000 1.242E-02 I X 1.7000 -5.391E-03 XI 1.8000 -2.311E-02 X I 1.9000 -4.049E-02 X I 2.0000 -5.729E-02 X I 2.1000 -7.330E-02 X I 2.2000 -8.837E-02 X I 2.3000 -1.024E-01 X I 2.4000 -1.151E-01 X I 2.5000 -1.266E-01 X I 2.6000 -1.366E-01 X I 2.7000 -1.453E-01 X I 2.8000 -1.524E-01 X I 2.9000 -1.580E-01 X I 3.0000 -1.622E-01 X I 3.1000 -1.648E-01 X I 3.2000 -1.660E-01 X I 3.3000 -1.657E-01 X I 3.4000 -1.640E-01 X I 3.5000 -1.610E-01 X I 3.6000 -1.567E-01 X I 3.7000 -1.512E-01 X I 3.8000 -1.445E-01 X I 3.9000 -1.369E-01 X I 4.0000 -1.282E-01 X I 4.1000 -1.187E-01 X I 4.2000 -1.083E-01 X I 4.3000 -9.728E-02 X I 4.4000 -8.562E-02 X I 4.5000 -7.343E-02 X I 4.6000 -6.079E-02 X I 4.7000 -4.780E-02 X I 4.8000 -3.453E-02 X I 4.9000 -2.107E-02 X I 5.0000 -7.493E-03 XI 5.2000 1.971E-02 I X 5.4000 4.652E-02 I X 5.6000 7.242E-02 I X 5.8000 9.699E-02 I X 6.0000 1.198E-01 I X 6.2000 1.407E-01 I X 6.4000 1.592E-01 I X 6.6000 1.752E-01 I X 6.8000 1.887E-01 I X 7.0000 1.994E-01 I X 7.2000 2.074E-01 I X 7.4000 2.126E-01 I X 7.6000 2.152E-01 I X 7.8000 2.151E-01 I X 8.0000 2.125E-01 I X 8.2000 2.075E-01 I X 8.4000 2.002E-01 I X 8.6000 1.909E-01 I X 8.8000 1.796E-01 I X 9.0000 1.665E-01 I X 9.2000 1.520E-01 I X 9.4000 1.360E-01 I X 9.6000 1.189E-01 I X 9.8000 1.008E-01 I X 10.0000 8.183E-02 I X 10.2500 5.729E-02 I X 10.5000 3.208E-02 I X 10.7500 6.518E-03 IX 11.0000 -1.911E-02 X I 11.2500 -4.456E-02 X I 11.5000 -6.957E-02 X I 11.7500 -9.395E-02 X I 12.0000 -1.175E-01 X I 12.2500 -1.401E-01 X I 12.5000 -1.616E-01 X I 12.7500 -1.818E-01 X I 13.0000 -2.008E-01 X I 13.2500 -2.183E-01 X I 13.5000 -2.345E-01 X I 13.7500 -2.492E-01 X I 14.0000 -2.624E-01 X I 14.2500 -2.742E-01 X I 14.5000 -2.845E-01 X I 14.7500 -2.934E-01 X I 15.0000 -3.009E-01 X I 15.5000 -3.119E-01 X I 16.0000 -3.179E-01 X I 16.5000 -3.195E-01 X I 17.0000 -3.172E-01 X I 17.5000 -3.115E-01 X I 18.0000 -3.031E-01 X I 18.5000 -2.923E-01 X I 19.0000 -2.798E-01 X I 19.5000 -2.660E-01 X I 20.0000 -2.512E-01 X I 20.5000 -2.359E-01 X I 21.0000 -2.204E-01 X I 21.5000 -2.048E-01 X I 22.0000 -1.894E-01 X I 22.5000 -1.745E-01 X I 23.0000 -1.601E-01 X I 23.5000 -1.463E-01 X I 24.0000 -1.333E-01 X I 24.5000 -1.210E-01 X I 25.0000 -1.094E-01 X I 25.5000 -9.873E-02 X I 26.0000 -8.882E-02 X I 26.5000 -7.969E-02 X I 27.0000 -7.132E-02 X I 27.5000 -6.367E-02 X I 28.0000 -5.672E-02 X I 28.5000 -5.041E-02 X I 29.0000 -4.471E-02 X I 29.5000 -3.957E-02 X I 30.0000 -3.496E-02 X I 31.0000 -2.714E-02 X I 32.0000 -2.092E-02 X I 33.0000 -1.603E-02 X I 34.0000 -1.221E-02 X I 35.0000 -9.249E-03 X I 36.0000 -6.972E-03 XI 37.0000 -5.230E-03 XI 38.0000 -3.907E-03 XI HF 0.0 0.0 0.0 0.0 5 6p 2s2 6p 182817.5 186733.8 -3898.0 HF 0.0 0.0 0.0 0.0 5 6p 2s2 6p 182817.5 186733.8 -3898.0 5 6.01 CONFIG=6p 2s2 L=1 ELIM= 200562.000 N= 6 E= 186733.800HF E= -0.12601184 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 11700 NSAVE=11700 IRREG=0 IFITER=99 NNODES= 4 NUMR 11080 NUMS 11080 NUML 11691 RS 31.087 RL 0.500 DEL 0.59253396 RSCALE 1.50000000 DEL 0.64014756 RSCALE 1.48543952 DEL 0.59254088 RSCALE 1.50000000 DEL 0.54656476 RSCALE 1.51470320 DEL 0.50214442 RSCALE 1.52955052 DEL 0.45920925 RSCALE 1.54454338 DEL 0.41769255 RSCALE 1.55968321 DEL 0.37753131 RSCALE 1.57497143 DEL 0.33866597 RSCALE 1.59040951 DEL 0.30104023 RSCALE 1.60599892 DEL 0.26460081 RSCALE 1.62174113 DEL 0.22929732 RSCALE 1.63763766 DEL 0.19508203 RSCALE 1.65369000 DEL 0.16190970 RSCALE 1.66989969 DEL 0.12973747 RSCALE 1.68626827 DEL 0.09852469 RSCALE 1.70279730 DEL 0.06823278 RSCALE 1.71948835 DEL 0.03882513 RSCALE 1.73634300 DEL 0.01026697 RSCALE 1.75336287 DEL 0.00026723 RSCALE 1.75948170 DEL 0.00000189 RSCALE 1.75964521 DEL 0.00000000 RSCALE 1.75964638 CNORM= 9.99676E-01 0.0500 2.367E-03 X 0.1000 8.206E-03 I X 0.1500 1.605E-02 I X 0.2000 2.488E-02 I X 0.2500 3.397E-02 I X 0.3000 4.283E-02 I X 0.3500 5.110E-02 I X 0.4000 5.858E-02 I X 0.4500 6.513E-02 I X 0.5000 7.066E-02 I X 0.5500 7.515E-02 I X 0.6000 7.860E-02 I X 0.6500 8.103E-02 I X 0.7000 8.248E-02 I X 0.7500 8.300E-02 I X 0.8000 8.265E-02 I X 0.8500 8.149E-02 I X 0.9000 7.957E-02 I X 0.9500 7.696E-02 I X 1.0000 7.373E-02 I X 1.1000 6.562E-02 I X 1.2000 5.570E-02 I X 1.3000 4.438E-02 I X 1.4000 3.206E-02 I X 1.5000 1.907E-02 I X 1.6000 5.699E-03 IX 1.7000 -7.772E-03 X I 1.8000 -2.111E-02 X I 1.9000 -3.412E-02 X I 2.0000 -4.662E-02 X I 2.1000 -5.846E-02 X I 2.2000 -6.951E-02 X I 2.3000 -7.965E-02 X I 2.4000 -8.880E-02 X I 2.5000 -9.689E-02 X I 2.6000 -1.039E-01 X I 2.7000 -1.097E-01 X I 2.8000 -1.143E-01 X I 2.9000 -1.177E-01 X I 3.0000 -1.199E-01 X I 3.1000 -1.210E-01 X I 3.2000 -1.209E-01 X I 3.3000 -1.197E-01 X I 3.4000 -1.173E-01 X I 3.5000 -1.140E-01 X I 3.6000 -1.097E-01 X I 3.7000 -1.045E-01 X I 3.8000 -9.841E-02 X I 3.9000 -9.157E-02 X I 4.0000 -8.403E-02 X I 4.1000 -7.586E-02 X I 4.2000 -6.713E-02 X I 4.3000 -5.792E-02 X I 4.4000 -4.831E-02 X I 4.5000 -3.838E-02 X I 4.6000 -2.818E-02 X I 4.7000 -1.781E-02 X I 4.8000 -7.320E-03 XI 4.9000 3.214E-03 IX 5.0000 1.373E-02 I X 5.2000 3.446E-02 I X 5.4000 5.440E-02 I X 5.6000 7.317E-02 I X 5.8000 9.040E-02 I X 6.0000 1.058E-01 I X 6.2000 1.192E-01 I X 6.4000 1.303E-01 I X 6.6000 1.391E-01 I X 6.8000 1.455E-01 I X 7.0000 1.495E-01 I X 7.2000 1.510E-01 I X 7.4000 1.502E-01 I X 7.6000 1.471E-01 I X 7.8000 1.419E-01 I X 8.0000 1.346E-01 I X 8.2000 1.255E-01 I X 8.4000 1.148E-01 I X 8.6000 1.025E-01 I X 8.8000 8.903E-02 I X 9.0000 7.444E-02 I X 9.2000 5.897E-02 I X 9.4000 4.283E-02 I X 9.6000 2.622E-02 I X 9.8000 9.326E-03 I X 10.0000 -7.668E-03 X I 10.2500 -2.878E-02 X I 10.5000 -4.946E-02 X I 10.7500 -6.940E-02 X I 11.0000 -8.836E-02 X I 11.2500 -1.061E-01 X I 11.5000 -1.224E-01 X I 11.7500 -1.372E-01 X I 12.0000 -1.502E-01 X I 12.2500 -1.614E-01 X I 12.5000 -1.708E-01 X I 12.7500 -1.782E-01 X I 13.0000 -1.836E-01 X I 13.2500 -1.871E-01 X I 13.5000 -1.887E-01 X I 13.7500 -1.884E-01 X I 14.0000 -1.863E-01 X I 14.2500 -1.824E-01 X I 14.5000 -1.769E-01 X I 14.7500 -1.699E-01 X I 15.0000 -1.614E-01 X I 15.5000 -1.405E-01 X I 16.0000 -1.153E-01 X I 16.5000 -8.677E-02 X I 17.0000 -5.584E-02 X I 17.5000 -2.349E-02 X I 18.0000 9.444E-03 I X 18.5000 4.217E-02 I X 19.0000 7.401E-02 I X 19.5000 1.044E-01 I X 20.0000 1.329E-01 I X 20.5000 1.591E-01 I X 21.0000 1.827E-01 I X 21.5000 2.036E-01 I X 22.0000 2.217E-01 I X 22.5000 2.369E-01 I X 23.0000 2.493E-01 I X 23.5000 2.589E-01 I X 24.0000 2.660E-01 I X 24.5000 2.705E-01 I X 25.0000 2.728E-01 I X 25.5000 2.729E-01 I X 26.0000 2.712E-01 I X 26.5000 2.678E-01 I X 27.0000 2.629E-01 I X 27.5000 2.567E-01 I X 28.0000 2.494E-01 I X 28.5000 2.413E-01 I X 29.0000 2.324E-01 I X 29.5000 2.230E-01 I X 30.0000 2.132E-01 I X 31.0000 1.928E-01 I X 32.0000 1.723E-01 I X 33.0000 1.522E-01 I X 34.0000 1.331E-01 I X 35.0000 1.154E-01 I X 36.0000 9.921E-02 I X 37.0000 8.463E-02 I X 38.0000 7.169E-02 I X 39.0000 6.034E-02 I X 40.0000 5.047E-02 I X 41.0000 4.198E-02 I X 42.0000 3.474E-02 I X 43.0000 2.860E-02 I X 44.0000 2.344E-02 I X 45.0000 1.912E-02 I X 46.0000 1.554E-02 I X 47.0000 1.258E-02 I X 48.0000 1.014E-02 I X 49.0000 8.152E-03 I X 50.0000 6.530E-03 IX 52.0000 4.150E-03 IX HF 0.0 0.0 0.0 0.0 6 7p 2s2 7p 186708.8 190571.0 -3898.0 HF 0.0 0.0 0.0 0.0 6 7p 2s2 7p 186708.8 190571.0 -3898.0 6 6.01 CONFIG=7p 2s2 L=1 ELIM= 200562.000 N= 7 E= 190571.000HF E= -0.09104470 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 14000 NSAVE=14000 IRREG=0 IFITER=99 NNODES= 5 NUMR 13380 NUMS 13380 NUML 13991 RS 31.087 RL 0.500 DEL 0.67820595 RSCALE 1.50000000 DEL 0.72945648 RSCALE 1.48543952 DEL 0.67821055 RSCALE 1.50000000 DEL 0.62878309 RSCALE 1.51470320 DEL 0.58108667 RSCALE 1.52955052 DEL 0.53503910 RSCALE 1.54454338 DEL 0.49056302 RSCALE 1.55968321 DEL 0.44758561 RSCALE 1.57497143 DEL 0.40603826 RSCALE 1.59040951 DEL 0.36585631 RSCALE 1.60599892 DEL 0.32697877 RSCALE 1.62174113 DEL 0.28934809 RSCALE 1.63763766 DEL 0.25290992 RSCALE 1.65369000 DEL 0.21761290 RSCALE 1.66989969 DEL 0.18340846 RSCALE 1.68626827 DEL 0.15025069 RSCALE 1.70279730 DEL 0.11809609 RSCALE 1.71948835 DEL 0.08690351 RSCALE 1.73634300 DEL 0.05663392 RSCALE 1.75336287 DEL 0.02725037 RSCALE 1.77054957 DEL 0.00100470 RSCALE 1.78648855 DEL 0.00001851 RSCALE 1.78709870 DEL 0.00000001 RSCALE 1.78711015 DEL 0.00000000 RSCALE 1.78711016 CNORM= 1.00004E+00 0.0500 1.862E-03 X 0.1000 6.453E-03 IX 0.1500 1.262E-02 I X 0.2000 1.955E-02 I X 0.2500 2.668E-02 I X 0.3000 3.361E-02 I X 0.3500 4.007E-02 I X 0.4000 4.590E-02 I X 0.4500 5.097E-02 I X 0.5000 5.524E-02 I X 0.5500 5.868E-02 I X 0.6000 6.129E-02 I X 0.6500 6.309E-02 I X 0.7000 6.410E-02 I X 0.7500 6.439E-02 I X 0.8000 6.398E-02 I X 0.8500 6.292E-02 I X 0.9000 6.127E-02 I X 0.9500 5.908E-02 I X 1.0000 5.640E-02 I X 1.1000 4.975E-02 I X 1.2000 4.170E-02 I X 1.3000 3.257E-02 I X 1.4000 2.269E-02 I X 1.5000 1.232E-02 I X 1.6000 1.703E-03 X 1.7000 -8.947E-03 X I 1.8000 -1.945E-02 X I 1.9000 -2.963E-02 X I 2.0000 -3.936E-02 X I 2.1000 -4.851E-02 X I 2.2000 -5.699E-02 X I 2.3000 -6.470E-02 X I 2.4000 -7.159E-02 X I 2.5000 -7.759E-02 X I 2.6000 -8.266E-02 X I 2.7000 -8.678E-02 X I 2.8000 -8.994E-02 X I 2.9000 -9.212E-02 X I 3.0000 -9.333E-02 X I 3.1000 -9.359E-02 X I 3.2000 -9.293E-02 X I 3.3000 -9.137E-02 X I 3.4000 -8.896E-02 X I 3.5000 -8.573E-02 X I 3.6000 -8.174E-02 X I 3.7000 -7.705E-02 X I 3.8000 -7.170E-02 X I 3.9000 -6.577E-02 X I 4.0000 -5.930E-02 X I 4.1000 -5.237E-02 X I 4.2000 -4.505E-02 X I 4.3000 -3.738E-02 X I 4.4000 -2.944E-02 X I 4.5000 -2.129E-02 X I 4.6000 -1.299E-02 X I 4.7000 -4.603E-03 XI 4.8000 3.816E-03 IX 4.9000 1.221E-02 I X 5.0000 2.053E-02 I X 5.2000 3.672E-02 I X 5.4000 5.204E-02 I X 5.6000 6.615E-02 I X 5.8000 7.878E-02 I X 6.0000 8.972E-02 I X 6.2000 9.879E-02 I X 6.4000 1.059E-01 I X 6.6000 1.109E-01 I X 6.8000 1.139E-01 I X 7.0000 1.148E-01 I X 7.2000 1.137E-01 I X 7.4000 1.106E-01 I X 7.6000 1.058E-01 I X 7.8000 9.919E-02 I X 8.0000 9.108E-02 I X 8.2000 8.160E-02 I X 8.4000 7.092E-02 I X 8.6000 5.922E-02 I X 8.8000 4.671E-02 I X 9.0000 3.356E-02 I X 9.2000 1.997E-02 I X 9.4000 6.125E-03 IX 9.6000 -7.797E-03 X I 9.8000 -2.162E-02 X I 10.0000 -3.520E-02 X I 10.2500 -5.158E-02 X I 10.5000 -6.705E-02 X I 10.7500 -8.140E-02 X I 11.0000 -9.440E-02 X I 11.2500 -1.059E-01 X I 11.5000 -1.157E-01 X I 11.7500 -1.239E-01 X I 12.0000 -1.301E-01 X I 12.2500 -1.346E-01 X I 12.5000 -1.371E-01 X I 12.7500 -1.379E-01 X I 13.0000 -1.368E-01 X I 13.2500 -1.339E-01 X I 13.5000 -1.294E-01 X I 13.7500 -1.233E-01 X I 14.0000 -1.158E-01 X I 14.2500 -1.069E-01 X I 14.5000 -9.685E-02 X I 14.7500 -8.572E-02 X I 15.0000 -7.367E-02 X I 15.5000 -4.741E-02 X I 16.0000 -1.927E-02 X I 16.5000 9.599E-03 I X 17.0000 3.814E-02 I X 17.5000 6.538E-02 I X 18.0000 9.049E-02 I X 18.5000 1.128E-01 I X 19.0000 1.317E-01 I X 19.5000 1.469E-01 I X 20.0000 1.581E-01 I X 20.5000 1.653E-01 I X 21.0000 1.683E-01 I X 21.5000 1.673E-01 I X 22.0000 1.626E-01 I X 22.5000 1.543E-01 I X 23.0000 1.428E-01 I X 23.5000 1.286E-01 I X 24.0000 1.119E-01 I X 24.5000 9.314E-02 I X 25.0000 7.281E-02 I X 25.5000 5.128E-02 I X 26.0000 2.895E-02 I X 26.5000 6.185E-03 IX 27.0000 -1.667E-02 X I 27.5000 -3.931E-02 X I 28.0000 -6.143E-02 X I 28.5000 -8.281E-02 X I 29.0000 -1.032E-01 X I 29.5000 -1.225E-01 X I 30.0000 -1.404E-01 X I 31.0000 -1.721E-01 X I 32.0000 -1.976E-01 X I 33.0000 -2.168E-01 X I 34.0000 -2.299E-01 X I 35.0000 -2.373E-01 X I 36.0000 -2.395E-01 X I 37.0000 -2.373E-01 X I 38.0000 -2.315E-01 X I 39.0000 -2.226E-01 X I 40.0000 -2.115E-01 X I 41.0000 -1.987E-01 X I 42.0000 -1.849E-01 X I 43.0000 -1.705E-01 X I 44.0000 -1.559E-01 X I 45.0000 -1.416E-01 X I 46.0000 -1.276E-01 X I 47.0000 -1.143E-01 X I 48.0000 -1.018E-01 X I 49.0000 -9.012E-02 X I 50.0000 -7.939E-02 X I 52.0000 -6.072E-02 X I 54.0000 -4.564E-02 X I 56.0000 -3.378E-02 X I 58.0000 -2.465E-02 X I 60.0000 -1.777E-02 X I 62.0000 -1.266E-02 X I 64.0000 -8.920E-03 X I 66.0000 -6.227E-03 XI 68.0000 -4.308E-03 XI 70.0000 -2.955E-03 XI HF 0.0 0.0 0.0 0.0 7 8p 2s2 8p 189102.3 193000.3 FIXEDHF -3898.0 HF 0.0 0.0 0.0 0.0 7 8p 2s2 8p 189102.3 193000.3 FIXEDHF -3898.0 7 6.01 CONFIG=8p 2s2 L=1 ELIM= 200562.000 N= 8 E= 193000.300HF E= -0.06890728 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 16500 NSAVE=16500 IRREG=0 IFITER=99 NNODES= 6 NUMR 15880 NUMS 15880 NUML 16491 RS 31.087 RL 0.500 DEL 0.81932872 RSCALE 1.50000000 DEL 0.87692517 RSCALE 1.48543952 DEL 0.81933163 RSCALE 1.50000000 DEL 0.76390326 RSCALE 1.51470320 DEL 0.71052829 RSCALE 1.52955052 DEL 0.65910227 RSCALE 1.54454338 DEL 0.60952742 RSCALE 1.55968321 DEL 0.56171219 RSCALE 1.57497143 DEL 0.51557075 RSCALE 1.59040951 DEL 0.47102260 RSCALE 1.60599892 DEL 0.42799214 RSCALE 1.62174113 DEL 0.38640835 RSCALE 1.63763766 DEL 0.34620445 RSCALE 1.65369000 DEL 0.30731759 RSCALE 1.66989969 DEL 0.26968859 RSCALE 1.68626827 DEL 0.23326168 RSCALE 1.70279730 DEL 0.19798428 RSCALE 1.71948835 DEL 0.16380677 RSCALE 1.73634300 DEL 0.13068230 RSCALE 1.75336287 DEL 0.09856664 RSCALE 1.77054957 DEL 0.06741798 RSCALE 1.78790473 DEL 0.03719676 RSCALE 1.80543001 DEL 0.00786557 RSCALE 1.82312708 DEL 0.00019406 RSCALE 1.82787280 DEL 0.00000104 RSCALE 1.82799285 DEL 0.00000000 RSCALE 1.82799349 CNORM= 1.00028E+00 0.0500 1.519E-03 X 0.1000 5.262E-03 IX 0.1500 1.029E-02 I X 0.2000 1.593E-02 I X 0.2500 2.172E-02 I X 0.3000 2.733E-02 I X 0.3500 3.256E-02 I X 0.4000 3.725E-02 I X 0.4500 4.131E-02 I X 0.5000 4.471E-02 I X 0.5500 4.742E-02 I X 0.6000 4.944E-02 I X 0.6500 5.079E-02 I X 0.7000 5.150E-02 I X 0.7500 5.160E-02 I X 0.8000 5.114E-02 I X 0.8500 5.015E-02 I X 0.9000 4.867E-02 I X 0.9500 4.676E-02 I X 1.0000 4.444E-02 I X 1.1000 3.878E-02 I X 1.2000 3.199E-02 I X 1.3000 2.436E-02 I X 1.4000 1.615E-02 I X 1.5000 7.589E-03 I X 1.6000 -1.131E-03 X 1.7000 -9.832E-03 X I 1.8000 -1.836E-02 X I 1.9000 -2.658E-02 X I 2.0000 -3.439E-02 X I 2.1000 -4.169E-02 X I 2.2000 -4.839E-02 X I 2.3000 -5.443E-02 X I 2.4000 -5.976E-02 X I 2.5000 -6.433E-02 X I 2.6000 -6.812E-02 X I 2.7000 -7.111E-02 X I 2.8000 -7.329E-02 X I 2.9000 -7.467E-02 X I 3.0000 -7.524E-02 X I 3.1000 -7.503E-02 X I 3.2000 -7.405E-02 X I 3.3000 -7.235E-02 X I 3.4000 -6.996E-02 X I 3.5000 -6.691E-02 X I 3.6000 -6.325E-02 X I 3.7000 -5.903E-02 X I 3.8000 -5.430E-02 X I 3.9000 -4.912E-02 X I 4.0000 -4.352E-02 X I 4.1000 -3.758E-02 X I 4.2000 -3.134E-02 X I 4.3000 -2.485E-02 X I 4.4000 -1.818E-02 X I 4.5000 -1.138E-02 X I 4.6000 -4.494E-03 XI 4.7000 2.424E-03 IX 4.8000 9.325E-03 I X 4.9000 1.616E-02 I X 5.0000 2.289E-02 I X 5.2000 3.587E-02 I X 5.4000 4.795E-02 I X 5.6000 5.888E-02 I X 5.8000 6.844E-02 I X 6.0000 7.647E-02 I X 6.2000 8.285E-02 I X 6.4000 8.749E-02 I X 6.6000 9.035E-02 I X 6.8000 9.145E-02 I X 7.0000 9.081E-02 I X 7.2000 8.849E-02 I X 7.4000 8.459E-02 I X 7.6000 7.921E-02 I X 7.8000 7.250E-02 I X 8.0000 6.460E-02 I X 8.2000 5.567E-02 I X 8.4000 4.587E-02 I X 8.6000 3.537E-02 I X 8.8000 2.435E-02 I X 9.0000 1.298E-02 I X 9.2000 1.431E-03 X 9.4000 -1.014E-02 X I 9.6000 -2.158E-02 X I 9.8000 -3.273E-02 X I 10.0000 -4.348E-02 X I 10.2500 -5.613E-02 X I 10.5000 -6.772E-02 X I 10.7500 -7.808E-02 X I 11.0000 -8.704E-02 X I 11.2500 -9.449E-02 X I 11.5000 -1.003E-01 X I 11.7500 -1.045E-01 X I 12.0000 -1.071E-01 X I 12.2500 -1.079E-01 X I 12.5000 -1.071E-01 X I 12.7500 -1.047E-01 X I 13.0000 -1.008E-01 X I 13.2500 -9.549E-02 X I 13.5000 -8.883E-02 X I 13.7500 -8.097E-02 X I 14.0000 -7.204E-02 X I 14.2500 -6.218E-02 X I 14.5000 -5.154E-02 X I 14.7500 -4.026E-02 X I 15.0000 -2.849E-02 X I 15.5000 -4.097E-03 XI 16.0000 2.049E-02 I X 16.5000 4.420E-02 I X 17.0000 6.608E-02 I X 17.5000 8.535E-02 I X 18.0000 1.014E-01 I X 18.5000 1.137E-01 I X 19.0000 1.219E-01 I X 19.5000 1.261E-01 I X 20.0000 1.261E-01 I X 20.5000 1.222E-01 I X 21.0000 1.146E-01 I X 21.5000 1.036E-01 I X 22.0000 8.970E-02 I X 22.5000 7.337E-02 I X 23.0000 5.511E-02 I X 23.5000 3.546E-02 I X 24.0000 1.494E-02 I X 24.5000 -5.930E-03 X I 25.0000 -2.667E-02 X I 25.5000 -4.683E-02 X I 26.0000 -6.600E-02 X I 26.5000 -8.382E-02 X I 27.0000 -9.999E-02 X I 27.5000 -1.142E-01 X I 28.0000 -1.264E-01 X I 28.5000 -1.363E-01 X I 29.0000 -1.438E-01 X I 29.5000 -1.490E-01 X I 30.0000 -1.518E-01 X I 31.0000 -1.503E-01 X I 32.0000 -1.402E-01 X I 33.0000 -1.224E-01 X I 34.0000 -9.854E-02 X I 35.0000 -7.002E-02 X I 36.0000 -3.843E-02 X I 37.0000 -5.268E-03 XI 38.0000 2.811E-02 I X 39.0000 6.052E-02 I X 40.0000 9.099E-02 I X 41.0000 1.188E-01 I X 42.0000 1.433E-01 I X 43.0000 1.642E-01 I X 44.0000 1.814E-01 I X 45.0000 1.948E-01 I X 46.0000 2.044E-01 I X 47.0000 2.106E-01 I X 48.0000 2.136E-01 I X 49.0000 2.137E-01 I X 50.0000 2.112E-01 I X 52.0000 2.001E-01 I X 54.0000 1.832E-01 I X 56.0000 1.629E-01 I X 58.0000 1.414E-01 I X 60.0000 1.201E-01 I X 62.0000 1.002E-01 I X 64.0000 8.215E-02 I X 66.0000 6.637E-02 I X 68.0000 5.291E-02 I X 70.0000 4.167E-02 I X 72.0000 3.245E-02 I X 74.0000 2.501E-02 I X 76.0000 1.909E-02 I X 78.0000 1.445E-02 I X 80.0000 1.085E-02 I X 82.0000 8.082E-03 I X 84.0000 5.979E-03 I X 86.0000 4.393E-03 IX 88.0000 3.208E-03 IX 90.0000 2.329E-03 IX HF 0.0 0.0 0.0 0.0 8 9p 2s2 9p 190737.7 194635.7 FIXEDHF -3898.0 HF 0.0 0.0 0.0 0.0 8 9p 2s2 9p 190737.7 194635.7 FIXEDHF -3898.0 8 6.01 CONFIG=9p 2s2 L=1 ELIM= 200562.000 N= 9 E= 194635.700HF E= -0.05400442 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 18900 NSAVE=18900 IRREG=0 IFITER=99 NNODES= 7 NUMR 18280 NUMS 18280 NUML 18891 RS 31.087 RL 0.500 DEL 1.04325357 RSCALE 1.50000000 DEL 1.11174810 RSCALE 1.48543952 DEL 1.04325514 RSCALE 1.50000000 DEL 0.97757155 RSCALE 1.51470320 DEL 0.91453687 RSCALE 1.52955052 DEL 0.85400239 RSCALE 1.54454338 DEL 0.79583003 RSCALE 1.55968321 DEL 0.73989151 RSCALE 1.57497143 DEL 0.68606746 RSCALE 1.59040951 DEL 0.63424669 RSCALE 1.60599892 DEL 0.58432553 RSCALE 1.62174113 DEL 0.53620720 RSCALE 1.63763766 DEL 0.48980129 RSCALE 1.65369000 DEL 0.44502321 RSCALE 1.66989969 DEL 0.40179382 RSCALE 1.68626827 DEL 0.36003893 RSCALE 1.70279730 DEL 0.31968901 RSCALE 1.71948835 DEL 0.28067878 RSCALE 1.73634300 DEL 0.24294695 RSCALE 1.75336287 DEL 0.20643590 RSCALE 1.77054957 DEL 0.17109145 RSCALE 1.78790473 DEL 0.13686261 RSCALE 1.80543001 DEL 0.10370134 RSCALE 1.82312708 DEL 0.07156238 RSCALE 1.84099762 DEL 0.04040307 RSCALE 1.85904332 DEL 0.01018313 RSCALE 1.87726591 DEL 0.00026926 RSCALE 1.88340633 DEL 0.00000184 RSCALE 1.88357310 DEL 0.00000000 RSCALE 1.88357425 CNORM= 1.00045E+00 0.0500 1.273E-03 X 0.1000 4.411E-03 IX 0.1500 8.617E-03 I X 0.2000 1.333E-02 I X 0.2500 1.816E-02 I X 0.3000 2.284E-02 I X 0.3500 2.717E-02 I X 0.4000 3.104E-02 I X 0.4500 3.437E-02 I X 0.5000 3.713E-02 I X 0.5500 3.930E-02 I X 0.6000 4.089E-02 I X 0.6500 4.191E-02 I X 0.7000 4.238E-02 I X 0.7500 4.234E-02 I X 0.8000 4.182E-02 I X 0.8500 4.086E-02 I X 0.9000 3.950E-02 I X 0.9500 3.776E-02 I X 1.0000 3.570E-02 I X 1.1000 3.071E-02 I X 1.2000 2.482E-02 I X 1.3000 1.826E-02 I X 1.4000 1.125E-02 I X 1.5000 3.983E-03 IX 1.6000 -3.365E-03 XI 1.7000 -1.065E-02 X I 1.8000 -1.774E-02 X I 1.9000 -2.454E-02 X I 2.0000 -3.094E-02 X I 2.1000 -3.687E-02 X I 2.2000 -4.227E-02 X I 2.3000 -4.708E-02 X I 2.4000 -5.127E-02 X I 2.5000 -5.479E-02 X I 2.6000 -5.765E-02 X I 2.7000 -5.981E-02 X I 2.8000 -6.128E-02 X I 2.9000 -6.207E-02 X I 3.0000 -6.218E-02 X I 3.1000 -6.164E-02 X I 3.2000 -6.046E-02 X I 3.3000 -5.868E-02 X I 3.4000 -5.633E-02 X I 3.5000 -5.344E-02 X I 3.6000 -5.005E-02 X I 3.7000 -4.622E-02 X I 3.8000 -4.198E-02 X I 3.9000 -3.738E-02 X I 4.0000 -3.246E-02 X I 4.1000 -2.728E-02 X I 4.2000 -2.187E-02 X I 4.3000 -1.630E-02 X I 4.4000 -1.060E-02 X I 4.5000 -4.822E-03 XI 4.6000 9.927E-04 X 4.7000 6.800E-03 I X 4.8000 1.256E-02 I X 4.9000 1.823E-02 I X 5.0000 2.378E-02 I X 5.2000 3.437E-02 I X 5.4000 4.409E-02 I X 5.6000 5.271E-02 I X 5.8000 6.009E-02 I X 6.0000 6.608E-02 I X 6.2000 7.060E-02 I X 6.4000 7.360E-02 I X 6.6000 7.507E-02 I X 6.8000 7.502E-02 I X 7.0000 7.349E-02 I X 7.2000 7.057E-02 I X 7.4000 6.635E-02 I X 7.6000 6.093E-02 I X 7.8000 5.444E-02 I X 8.0000 4.703E-02 I X 8.2000 3.884E-02 I X 8.4000 3.002E-02 I X 8.6000 2.073E-02 I X 8.8000 1.112E-02 I X 9.0000 1.342E-03 X 9.2000 -8.456E-03 X I 9.4000 -1.813E-02 X I 9.6000 -2.756E-02 X I 9.8000 -3.661E-02 X I 10.0000 -4.517E-02 X I 10.2500 -5.504E-02 X I 10.5000 -6.382E-02 X I 10.7500 -7.137E-02 X I 11.0000 -7.758E-02 X I 11.2500 -8.237E-02 X I 11.5000 -8.569E-02 X I 11.7500 -8.752E-02 X I 12.0000 -8.787E-02 X I 12.2500 -8.676E-02 X I 12.5000 -8.425E-02 X I 12.7500 -8.040E-02 X I 13.0000 -7.531E-02 X I 13.2500 -6.909E-02 X I 13.5000 -6.185E-02 X I 13.7500 -5.371E-02 X I 14.0000 -4.481E-02 X I 14.2500 -3.529E-02 X I 14.5000 -2.530E-02 X I 14.7500 -1.496E-02 X I 15.0000 -4.438E-03 XI 15.5000 1.665E-02 I X 16.0000 3.694E-02 I X 16.5000 5.550E-02 I X 17.0000 7.156E-02 I X 17.5000 8.452E-02 I X 18.0000 9.394E-02 I X 18.5000 9.957E-02 I X 19.0000 1.013E-01 I X 19.5000 9.926E-02 I X 20.0000 9.358E-02 I X 20.5000 8.462E-02 I X 21.0000 7.278E-02 I X 21.5000 5.854E-02 I X 22.0000 4.243E-02 I X 22.5000 2.502E-02 I X 23.0000 6.849E-03 I X 23.5000 -1.152E-02 X I 24.0000 -2.957E-02 X I 24.5000 -4.681E-02 X I 25.0000 -6.282E-02 X I 25.5000 -7.722E-02 X I 26.0000 -8.970E-02 X I 26.5000 -1.000E-01 X I 27.0000 -1.080E-01 X I 27.5000 -1.135E-01 X I 28.0000 -1.165E-01 X I 28.5000 -1.170E-01 X I 29.0000 -1.150E-01 X I 29.5000 -1.107E-01 X I 30.0000 -1.042E-01 X I 31.0000 -8.537E-02 X I 32.0000 -6.036E-02 X I 33.0000 -3.119E-02 X I 34.0000 2.780E-05 X 35.0000 3.126E-02 I X 36.0000 6.069E-02 I X 37.0000 8.677E-02 I X 38.0000 1.083E-01 I X 39.0000 1.245E-01 I X 40.0000 1.348E-01 I X 41.0000 1.391E-01 I X 42.0000 1.376E-01 I X 43.0000 1.305E-01 I X 44.0000 1.185E-01 I X 45.0000 1.022E-01 I X 46.0000 8.253E-02 I X 47.0000 6.018E-02 I X 48.0000 3.601E-02 I X 49.0000 1.081E-02 I X 50.0000 -1.468E-02 X I 52.0000 -6.401E-02 X I 54.0000 -1.078E-01 X I 56.0000 -1.433E-01 X I 58.0000 -1.693E-01 X I 60.0000 -1.857E-01 X I 62.0000 -1.931E-01 X I 64.0000 -1.928E-01 X I 66.0000 -1.863E-01 X I 68.0000 -1.753E-01 X I 70.0000 -1.612E-01 X I 72.0000 -1.452E-01 X I 74.0000 -1.286E-01 X I 76.0000 -1.121E-01 X I 78.0000 -9.642E-02 X I 80.0000 -8.186E-02 X I 82.0000 -6.870E-02 X I 84.0000 -5.705E-02 X I 86.0000 -4.692E-02 X I 88.0000 -3.825E-02 X I 90.0000 -3.091E-02 X I 92.0000 -2.479E-02 X I 94.0000 -1.974E-02 X I 96.0000 -1.561E-02 X I 98.0000 -1.227E-02 X I 100.0000 -9.582E-03 X I 102.0000 -7.442E-03 X I 104.0000 -5.748E-03 X I 106.0000 -4.418E-03 XI 108.0000 -3.379E-03 XI 110.0000 -2.572E-03 XI 112.0000 -1.950E-03 XI HF 0.0 0.0 0.0 0.0 9 10p 2s2 10p 191890.9 195788.9 FIXEDHF -3898.0 HF 0.0 0.0 0.0 0.0 9 10p 2s2 10p 191890.9 195788.9 FIXEDHF -3898.0 9 6.01 CONFIG=10p 2s2 L=1 ELIM= 200562.000 N=10 E= 195788.900HF E= -0.04349569 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 21400 NSAVE=21400 IRREG=0 IFITER=99 NNODES= 8 NUMR 20780 NUMS 20780 NUML 21391 RS 31.087 RL 0.500 DEL 1.42042745 RSCALE 1.50000000 DEL 1.50954601 RSCALE 1.48543952 DEL 1.42042780 RSCALE 1.50000000 DEL 1.33549011 RSCALE 1.51470320 DEL 1.25445615 RSCALE 1.52955052 DEL 1.17707277 RSCALE 1.54454338 DEL 1.10310799 RSCALE 1.55968321 DEL 1.03234889 RSCALE 1.57497143 DEL 0.96459967 RSCALE 1.59040951 DEL 0.89968000 RSCALE 1.60599892 DEL 0.83742355 RSCALE 1.62174113 DEL 0.77767668 RSCALE 1.63763766 DEL 0.72029725 RSCALE 1.65369000 DEL 0.66515361 RSCALE 1.66989969 DEL 0.61212367 RSCALE 1.68626827 DEL 0.56109404 RSCALE 1.70279730 DEL 0.51195932 RSCALE 1.71948835 DEL 0.46462140 RSCALE 1.73634300 DEL 0.41898889 RSCALE 1.75336287 DEL 0.37497654 RSCALE 1.77054957 DEL 0.33250476 RSCALE 1.78790473 DEL 0.29149918 RSCALE 1.80543001 DEL 0.25189023 RSCALE 1.82312708 DEL 0.21361279 RSCALE 1.84099762 DEL 0.17660583 RSCALE 1.85904332 DEL 0.14081213 RSCALE 1.87726591 DEL 0.10617799 RSCALE 1.89566713 DEL 0.07265295 RSCALE 1.91424871 DEL 0.04018958 RSCALE 1.93301243 DEL 0.00874326 RSCALE 1.95196008 DEL 0.00022789 RSCALE 1.95722824 DEL 0.00000133 RSCALE 1.95736922 DEL 0.00000000 RSCALE 1.95737005 CNORM= 1.00059E+00 0.0500 1.092E-03 X 0.1000 3.781E-03 IX 0.1500 7.383E-03 I X 0.2000 1.141E-02 I X 0.2500 1.553E-02 I X 0.3000 1.950E-02 I X 0.3500 2.316E-02 I X 0.4000 2.641E-02 I X 0.4500 2.919E-02 I X 0.5000 3.147E-02 I X 0.5500 3.323E-02 I X 0.6000 3.448E-02 I X 0.6500 3.523E-02 I X 0.7000 3.551E-02 I X 0.7500 3.535E-02 I X 0.8000 3.477E-02 I X 0.8500 3.381E-02 I X 0.9000 3.251E-02 I X 0.9500 3.089E-02 I X 1.0000 2.900E-02 I X 1.1000 2.450E-02 I X 1.2000 1.924E-02 I X 1.3000 1.346E-02 I X 1.4000 7.332E-03 I X 1.5000 1.036E-03 X 1.6000 -5.285E-03 X I 1.7000 -1.150E-02 X I 1.8000 -1.751E-02 X I 1.9000 -2.321E-02 X I 2.0000 -2.854E-02 X I 2.1000 -3.342E-02 X I 2.2000 -3.781E-02 X I 2.3000 -4.167E-02 X I 2.4000 -4.496E-02 X I 2.5000 -4.767E-02 X I 2.6000 -4.979E-02 X I 2.7000 -5.130E-02 X I 2.8000 -5.222E-02 X I 2.9000 -5.254E-02 X I 3.0000 -5.229E-02 X I 3.1000 -5.148E-02 X I 3.2000 -5.013E-02 X I 3.3000 -4.828E-02 X I 3.4000 -4.595E-02 X I 3.5000 -4.318E-02 X I 3.6000 -4.001E-02 X I 3.7000 -3.647E-02 X I 3.8000 -3.261E-02 X I 3.9000 -2.846E-02 X I 4.0000 -2.407E-02 X I 4.1000 -1.948E-02 X I 4.2000 -1.473E-02 X I 4.3000 -9.869E-03 X I 4.4000 -4.927E-03 X I 4.5000 5.306E-05 X 4.6000 5.032E-03 I X 4.7000 9.975E-03 I X 4.8000 1.485E-02 I X 4.9000 1.961E-02 I X 5.0000 2.425E-02 I X 5.2000 3.299E-02 I X 5.4000 4.088E-02 I X 5.6000 4.774E-02 I X 5.8000 5.345E-02 I X 6.0000 5.791E-02 I X 6.2000 6.105E-02 I X 6.4000 6.286E-02 I X 6.6000 6.332E-02 I X 6.8000 6.248E-02 I X 7.0000 6.039E-02 I X 7.2000 5.713E-02 I X 7.4000 5.278E-02 I X 7.6000 4.746E-02 I X 7.8000 4.129E-02 I X 8.0000 3.441E-02 I X 8.2000 2.693E-02 I X 8.4000 1.901E-02 I X 8.6000 1.078E-02 I X 8.8000 2.385E-03 IX 9.0000 -6.050E-03 X I 9.2000 -1.440E-02 X I 9.4000 -2.253E-02 X I 9.6000 -3.034E-02 X I 9.8000 -3.773E-02 X I 10.0000 -4.459E-02 X I 10.2500 -5.233E-02 X I 10.5000 -5.899E-02 X I 10.7500 -6.448E-02 X I 11.0000 -6.872E-02 X I 11.2500 -7.165E-02 X I 11.5000 -7.326E-02 X I 11.7500 -7.355E-02 X I 12.0000 -7.254E-02 X I 12.2500 -7.028E-02 X I 12.5000 -6.684E-02 X I 12.7500 -6.230E-02 X I 13.0000 -5.675E-02 X I 13.2500 -5.031E-02 X I 13.5000 -4.310E-02 X I 13.7500 -3.523E-02 X I 14.0000 -2.684E-02 X I 14.2500 -1.807E-02 X I 14.5000 -9.033E-03 X I 14.7500 1.271E-04 X 15.0000 9.286E-03 I X 15.5000 2.712E-02 I X 16.0000 4.356E-02 I X 16.5000 5.785E-02 I X 17.0000 6.939E-02 I X 17.5000 7.773E-02 I X 18.0000 8.262E-02 I X 18.5000 8.396E-02 I X 19.0000 8.180E-02 I X 19.5000 7.636E-02 I X 20.0000 6.793E-02 I X 20.5000 5.694E-02 I X 21.0000 4.386E-02 I X 21.5000 2.922E-02 I X 22.0000 1.358E-02 I X 22.5000 -2.528E-03 XI 23.0000 -1.855E-02 X I 23.5000 -3.399E-02 X I 24.0000 -4.839E-02 X I 24.5000 -6.135E-02 X I 25.0000 -7.253E-02 X I 25.5000 -8.166E-02 X I 26.0000 -8.854E-02 X I 26.5000 -9.305E-02 X I 27.0000 -9.513E-02 X I 27.5000 -9.480E-02 X I 28.0000 -9.212E-02 X I 28.5000 -8.721E-02 X I 29.0000 -8.024E-02 X I 29.5000 -7.143E-02 X I 30.0000 -6.102E-02 X I 31.0000 -3.648E-02 X I 32.0000 -8.896E-03 X I 33.0000 1.941E-02 I X 34.0000 4.627E-02 I X 35.0000 6.981E-02 I X 36.0000 8.856E-02 I X 37.0000 1.015E-01 I X 38.0000 1.081E-01 I X 39.0000 1.081E-01 I X 40.0000 1.020E-01 I X 41.0000 9.024E-02 I X 42.0000 7.372E-02 I X 43.0000 5.348E-02 I X 44.0000 3.066E-02 I X 45.0000 6.406E-03 I X 46.0000 -1.814E-02 X I 47.0000 -4.192E-02 X I 48.0000 -6.400E-02 X I 49.0000 -8.361E-02 X I 50.0000 -1.001E-01 X I 52.0000 -1.221E-01 X I 54.0000 -1.284E-01 X I 56.0000 -1.194E-01 X I 58.0000 -9.753E-02 X I 60.0000 -6.594E-02 X I 62.0000 -2.839E-02 X I 64.0000 1.154E-02 I X 66.0000 5.066E-02 I X 68.0000 8.648E-02 I X 70.0000 1.172E-01 I X 72.0000 1.418E-01 I X 74.0000 1.598E-01 I X 76.0000 1.713E-01 I X 78.0000 1.768E-01 I X 80.0000 1.770E-01 I X 82.0000 1.729E-01 I X 84.0000 1.653E-01 I X 86.0000 1.552E-01 I X 88.0000 1.433E-01 I X 90.0000 1.305E-01 I X 92.0000 1.173E-01 I X 94.0000 1.042E-01 I X 96.0000 9.160E-02 I X 98.0000 7.972E-02 I X 100.0000 6.876E-02 I X 102.0000 5.881E-02 I X 104.0000 4.991E-02 I X 106.0000 4.205E-02 I X 108.0000 3.519E-02 I X 110.0000 2.926E-02 I X 112.0000 2.418E-02 I X 114.0000 1.987E-02 I X 116.0000 1.624E-02 I X 118.0000 1.320E-02 I X 120.0000 1.068E-02 I X 122.0000 8.606E-03 I X 124.0000 6.901E-03 I X 126.0000 5.511E-03 I X 128.0000 4.384E-03 IX 130.0000 3.473E-03 IX 132.0000 2.742E-03 IX 134.0000 2.157E-03 IX HF 0.0 0.0 0.0 0.0 A 11p 2s2 11p 192734.4 196632.4 FIXEDHF -3898.0 HF 0.0 0.0 0.0 0.0 A 11p 2s2 11p 192734.4 196632.4 FIXEDHF -3898.0 10 6.01 CONFIG=11p 2s2 L=1 ELIM= 200562.000 N=11 E= 196632.400HF E= -0.03580915 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 24000 NSAVE=24000 IRREG=0 IFITER=99 NNODES= 9 NUMR 23380 NUMS 23380 NUML 23991 RS 31.087 RL 0.500 DEL 2.13562543 RSCALE 1.50000000 DEL 2.27172159 RSCALE 1.48543952 DEL 2.13562429 RSCALE 1.50000000 DEL 2.00746790 RSCALE 1.51470320 DEL 1.88659183 RSCALE 1.52955052 DEL 1.77240651 RSCALE 1.54454338 DEL 1.66438418 RSCALE 1.55968321 DEL 1.56205100 RSCALE 1.57497143 DEL 1.46498035 RSCALE 1.59040951 DEL 1.37278715 RSCALE 1.60599892 DEL 1.28512294 RSCALE 1.62174113 DEL 1.20167163 RSCALE 1.63763766 DEL 1.12214593 RSCALE 1.65369000 DEL 1.04628411 RSCALE 1.66989969 DEL 0.97384728 RSCALE 1.68626827 DEL 0.90461698 RSCALE 1.70279730 DEL 0.83839305 RSCALE 1.71948835 DEL 0.77499179 RSCALE 1.73634300 DEL 0.71424434 RSCALE 1.75336287 DEL 0.65599521 RSCALE 1.77054957 DEL 0.60010101 RSCALE 1.78790473 DEL 0.54642931 RSCALE 1.80543001 DEL 0.49485765 RSCALE 1.82312708 DEL 0.44527260 RSCALE 1.84099762 DEL 0.39756898 RSCALE 1.85904332 DEL 0.35164914 RSCALE 1.87726591 DEL 0.30742229 RSCALE 1.89566713 DEL 0.26480391 RSCALE 1.91424871 DEL 0.22371525 RSCALE 1.93301243 DEL 0.18408283 RSCALE 1.95196008 DEL 0.14583804 RSCALE 1.97109345 DEL 0.10891669 RSCALE 1.99041437 DEL 0.07325871 RSCALE 2.00992468 DEL 0.03880781 RSCALE 2.02962623 DEL 0.00551117 RSCALE 2.04952090 DEL 0.00013834 RSCALE 2.05281382 DEL 0.00000051 RSCALE 2.05289860 DEL 0.00000000 RSCALE 2.05289891 CNORM= 1.00071E+00 0.0500 9.550E-04 X 0.1000 3.304E-03 IX 0.1500 6.446E-03 I X 0.2000 9.953E-03 I X 0.2500 1.353E-02 I X 0.3000 1.696E-02 I X 0.3500 2.010E-02 I X 0.4000 2.288E-02 I X 0.4500 2.523E-02 I X 0.5000 2.712E-02 I X 0.5500 2.855E-02 I X 0.6000 2.953E-02 I X 0.6500 3.006E-02 I X 0.7000 3.018E-02 I X 0.7500 2.990E-02 I X 0.8000 2.926E-02 I X 0.8500 2.829E-02 I X 0.9000 2.702E-02 I X 0.9500 2.547E-02 I X 1.0000 2.369E-02 I X 1.1000 1.953E-02 I X 1.2000 1.475E-02 I X 1.3000 9.540E-03 I X 1.4000 4.084E-03 IX 1.5000 -1.471E-03 X 1.6000 -6.995E-03 X I 1.7000 -1.238E-02 X I 1.8000 -1.753E-02 X I 1.9000 -2.237E-02 X I 2.0000 -2.684E-02 X I 2.1000 -3.088E-02 X I 2.2000 -3.445E-02 X I 2.3000 -3.754E-02 X I 2.4000 -4.011E-02 X I 2.5000 -4.215E-02 X I 2.6000 -4.365E-02 X I 2.7000 -4.463E-02 X I 2.8000 -4.507E-02 X I 2.9000 -4.500E-02 X I 3.0000 -4.444E-02 X I 3.1000 -4.339E-02 X I 3.2000 -4.189E-02 X I 3.3000 -3.996E-02 X I 3.4000 -3.764E-02 X I 3.5000 -3.495E-02 X I 3.6000 -3.194E-02 X I 3.7000 -2.862E-02 X I 3.8000 -2.506E-02 X I 3.9000 -2.127E-02 X I 4.0000 -1.730E-02 X I 4.1000 -1.318E-02 X I 4.2000 -8.955E-03 X I 4.3000 -4.659E-03 X I 4.4000 -3.253E-04 X 4.5000 4.011E-03 IX 4.6000 8.316E-03 I X 4.7000 1.256E-02 I X 4.8000 1.671E-02 I X 4.9000 2.075E-02 I X 5.0000 2.464E-02 I X 5.2000 3.189E-02 I X 5.4000 3.831E-02 I X 5.6000 4.375E-02 I X 5.8000 4.812E-02 I X 6.0000 5.135E-02 I X 6.2000 5.340E-02 I X 6.4000 5.426E-02 I X 6.6000 5.395E-02 I X 6.8000 5.251E-02 I X 7.0000 5.000E-02 I X 7.2000 4.650E-02 I X 7.4000 4.211E-02 I X 7.6000 3.694E-02 I X 7.8000 3.108E-02 I X 8.0000 2.468E-02 I X 8.2000 1.785E-02 I X 8.4000 1.072E-02 I X 8.6000 3.410E-03 IX 8.8000 -3.954E-03 XI 9.0000 -1.126E-02 X I 9.2000 -1.839E-02 X I 9.4000 -2.524E-02 X I 9.6000 -3.173E-02 X I 9.8000 -3.776E-02 X I 10.0000 -4.326E-02 X I 10.2500 -4.929E-02 X I 10.5000 -5.429E-02 X I 10.7500 -5.819E-02 X I 11.0000 -6.092E-02 X I 11.2500 -6.247E-02 X I 11.5000 -6.284E-02 X I 11.7500 -6.205E-02 X I 12.0000 -6.013E-02 X I 12.2500 -5.714E-02 X I 12.5000 -5.317E-02 X I 12.7500 -4.829E-02 X I 13.0000 -4.262E-02 X I 13.2500 -3.625E-02 X I 13.5000 -2.930E-02 X I 13.7500 -2.190E-02 X I 14.0000 -1.416E-02 X I 14.2500 -6.216E-03 X I 14.5000 1.824E-03 IX 14.7500 9.838E-03 I X 15.0000 1.771E-02 I X 15.5000 3.263E-02 I X 16.0000 4.581E-02 I X 16.5000 5.665E-02 I X 17.0000 6.467E-02 I X 17.5000 6.960E-02 I X 18.0000 7.130E-02 I X 18.5000 6.979E-02 I X 19.0000 6.525E-02 I X 19.5000 5.796E-02 I X 20.0000 4.830E-02 I X 20.5000 3.672E-02 I X 21.0000 2.372E-02 I X 21.5000 9.837E-03 I X 22.0000 -4.410E-03 XI 22.5000 -1.850E-02 X I 23.0000 -3.196E-02 X I 23.5000 -4.435E-02 X I 24.0000 -5.530E-02 X I 24.5000 -6.449E-02 X I 25.0000 -7.169E-02 X I 25.5000 -7.672E-02 X I 26.0000 -7.950E-02 X I 26.5000 -7.999E-02 X I 27.0000 -7.825E-02 X I 27.5000 -7.436E-02 X I 28.0000 -6.849E-02 X I 28.5000 -6.083E-02 X I 29.0000 -5.163E-02 X I 29.5000 -4.113E-02 X I 30.0000 -2.964E-02 X I 31.0000 -4.834E-03 X I 32.0000 2.043E-02 I X 33.0000 4.393E-02 I X 34.0000 6.381E-02 I X 35.0000 7.861E-02 I X 36.0000 8.742E-02 I X 37.0000 8.982E-02 I X 38.0000 8.589E-02 I X 39.0000 7.615E-02 I X 40.0000 6.144E-02 I X 41.0000 4.288E-02 I X 42.0000 2.173E-02 I X 43.0000 -6.901E-04 X 44.0000 -2.308E-02 X I 45.0000 -4.424E-02 X I 46.0000 -6.310E-02 X I 47.0000 -7.882E-02 X I 48.0000 -9.074E-02 X I 49.0000 -9.845E-02 X I 50.0000 -1.017E-01 X I 52.0000 -9.534E-02 X I 54.0000 -7.371E-02 X I 56.0000 -4.108E-02 X I 58.0000 -2.709E-03 XI 60.0000 3.607E-02 I X 62.0000 7.057E-02 I X 64.0000 9.723E-02 I X 66.0000 1.138E-01 I X 68.0000 1.194E-01 I X 70.0000 1.143E-01 I X 72.0000 9.968E-02 I X 74.0000 7.737E-02 I X 76.0000 4.953E-02 I X 78.0000 1.841E-02 I X 80.0000 -1.384E-02 X I 82.0000 -4.536E-02 X I 84.0000 -7.461E-02 X I 86.0000 -1.004E-01 X I 88.0000 -1.221E-01 X I 90.0000 -1.392E-01 X I 92.0000 -1.517E-01 X I 94.0000 -1.597E-01 X I 96.0000 -1.635E-01 X I 98.0000 -1.636E-01 X I 100.0000 -1.606E-01 X I 102.0000 -1.551E-01 X I 104.0000 -1.475E-01 X I 106.0000 -1.385E-01 X I 108.0000 -1.285E-01 X I 110.0000 -1.179E-01 X I 112.0000 -1.072E-01 X I 114.0000 -9.657E-02 X I 116.0000 -8.627E-02 X I 118.0000 -7.648E-02 X I 120.0000 -6.731E-02 X I 122.0000 -5.885E-02 X I 124.0000 -5.112E-02 X I 126.0000 -4.414E-02 X I 128.0000 -3.791E-02 X I 130.0000 -3.238E-02 X I 132.0000 -2.752E-02 X I 134.0000 -2.327E-02 X I 136.0000 -1.959E-02 X I 138.0000 -1.643E-02 X I 140.0000 -1.371E-02 X I 142.0000 -1.140E-02 X I 144.0000 -9.446E-03 X I 146.0000 -7.796E-03 X I 148.0000 -6.413E-03 X I 150.0000 -5.257E-03 X I 152.0000 -4.296E-03 XI 154.0000 -3.499E-03 XI 156.0000 -2.842E-03 XI 158.0000 -2.302E-03 XI 160.0000 -1.859E-03 XI HF 0.0 0.0 0.0 0.0 B 12p 2s2 12p 193370.3 197268.3 FIXEDHF -3898.0 HF 0.0 0.0 0.0 0.0 B 12p 2s2 12p 193370.3 197268.3 FIXEDHF -3898.0 11 6.01 CONFIG=12p 2s2 L=1 ELIM= 200562.000 N=12 E= 197268.300HF E= -0.03001440 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 26700 NSAVE=26700 IRREG=0 IFITER=99 NNODES=10 NUMR 26080 NUMS 26080 NUML 26691 RS 31.087 RL 0.500 DEL 3.82740586 RSCALE 1.50000000 DEL 4.11669901 RSCALE 1.48543952 DEL 3.82740104 RSCALE 1.50000000 DEL 3.56295326 RSCALE 1.51470320 DEL 3.32031391 RSCALE 1.52955052 DEL 3.09691820 RSCALE 1.54454338 DEL 2.89058842 RSCALE 1.55968321 DEL 2.69946359 RSCALE 1.57497143 DEL 2.52194397 RSCALE 1.59040951 DEL 2.35664680 RSCALE 1.60599892 DEL 2.20237081 RSCALE 1.62174113 DEL 2.05806744 RSCALE 1.63763766 DEL 1.92281738 RSCALE 1.65369000 DEL 1.79581130 RSCALE 1.66989969 DEL 1.67633393 RSCALE 1.68626827 DEL 1.56375084 RSCALE 1.70279730 DEL 1.45749734 RSCALE 1.71948835 DEL 1.35706924 RSCALE 1.73634300 DEL 1.26201496 RSCALE 1.75336287 DEL 1.17192886 RSCALE 1.77054957 DEL 1.08644559 RSCALE 1.78790473 DEL 1.00523521 RSCALE 1.80543001 DEL 0.92799903 RSCALE 1.82312708 DEL 0.85446601 RSCALE 1.84099762 DEL 0.78438965 RSCALE 1.85904332 DEL 0.71754527 RSCALE 1.87726591 DEL 0.65372764 RSCALE 1.89566713 DEL 0.59274894 RSCALE 1.91424871 DEL 0.53443695 RSCALE 1.93301243 DEL 0.47863345 RSCALE 1.95196008 DEL 0.42519285 RSCALE 1.97109345 DEL 0.37398090 RSCALE 1.99041437 DEL 0.32487362 RSCALE 2.00992468 DEL 0.27775637 RSCALE 2.02962623 DEL 0.23252289 RSCALE 2.04952090 DEL 0.18907462 RSCALE 2.06961058 DEL 0.14731994 RSCALE 2.08989718 DEL 0.10717359 RSCALE 2.11038263 DEL 0.06855611 RSCALE 2.13106889 DEL 0.03139333 RSCALE 2.15195791 DEL 0.00134825 RSCALE 2.16960395 DEL 0.00002778 RSCALE 2.17039580 DEL 0.00000003 RSCALE 2.17041246 DEL 0.00000000 RSCALE 2.17041248 CNORM= 1.00083E+00 0.0500 8.486E-04 X 0.1000 2.934E-03 IX 0.1500 5.719E-03 I X 0.2000 8.820E-03 I X 0.2500 1.197E-02 I X 0.3000 1.498E-02 I X 0.3500 1.772E-02 I X 0.4000 2.012E-02 I X 0.4500 2.212E-02 I X 0.5000 2.371E-02 I X 0.5500 2.487E-02 I X 0.6000 2.562E-02 I X 0.6500 2.598E-02 I X 0.7000 2.595E-02 I X 0.7500 2.557E-02 I X 0.8000 2.487E-02 I X 0.8500 2.388E-02 I X 0.9000 2.262E-02 I X 0.9500 2.112E-02 I X 1.0000 1.942E-02 I X 1.1000 1.551E-02 I X 1.2000 1.108E-02 I X 1.3000 6.321E-03 I X 1.4000 1.390E-03 IX 1.5000 -3.577E-03 XI 1.6000 -8.464E-03 X I 1.7000 -1.317E-02 X I 1.8000 -1.763E-02 X I 1.9000 -2.176E-02 X I 2.0000 -2.552E-02 X I 2.1000 -2.887E-02 X I 2.2000 -3.177E-02 X I 2.3000 -3.421E-02 X I 2.4000 -3.617E-02 X I 2.5000 -3.764E-02 X I 2.6000 -3.863E-02 X I 2.7000 -3.914E-02 X I 2.8000 -3.919E-02 X I 2.9000 -3.878E-02 X I 3.0000 -3.794E-02 X I 3.1000 -3.669E-02 X I 3.2000 -3.505E-02 X I 3.3000 -3.305E-02 X I 3.4000 -3.072E-02 X I 3.5000 -2.809E-02 X I 3.6000 -2.520E-02 X I 3.7000 -2.207E-02 X I 3.8000 -1.874E-02 X I 3.9000 -1.525E-02 X I 4.0000 -1.162E-02 X I 4.1000 -7.896E-03 X I 4.2000 -4.107E-03 XI 4.3000 -2.848E-04 X 4.4000 3.540E-03 IX 4.5000 7.338E-03 I X 4.6000 1.108E-02 I X 4.7000 1.474E-02 I X 4.8000 1.829E-02 I X 4.9000 2.171E-02 I X 5.0000 2.498E-02 I X 5.2000 3.098E-02 I X 5.4000 3.616E-02 I X 5.6000 4.042E-02 I X 5.8000 4.367E-02 I X 6.0000 4.588E-02 I X 6.2000 4.702E-02 I X 6.4000 4.711E-02 I X 6.6000 4.617E-02 I X 6.8000 4.425E-02 I X 7.0000 4.142E-02 I X 7.2000 3.776E-02 I X 7.4000 3.337E-02 I X 7.6000 2.834E-02 I X 7.8000 2.280E-02 I X 8.0000 1.684E-02 I X 8.2000 1.058E-02 I X 8.4000 4.150E-03 IX 8.6000 -2.355E-03 XI 8.8000 -8.821E-03 X I 9.0000 -1.515E-02 X I 9.2000 -2.124E-02 X I 9.4000 -2.701E-02 X I 9.6000 -3.237E-02 X I 9.8000 -3.727E-02 X I 10.0000 -4.163E-02 X I 10.2500 -4.626E-02 X I 10.5000 -4.990E-02 X I 10.7500 -5.251E-02 X I 11.0000 -5.406E-02 X I 11.2500 -5.453E-02 X I 11.5000 -5.395E-02 X I 11.7500 -5.236E-02 X I 12.0000 -4.979E-02 X I 12.2500 -4.633E-02 X I 12.5000 -4.204E-02 X I 12.7500 -3.703E-02 X I 13.0000 -3.139E-02 X I 13.2500 -2.523E-02 X I 13.5000 -1.866E-02 X I 13.7500 -1.179E-02 X I 14.0000 -4.741E-03 X I 14.2500 2.385E-03 IX 14.5000 9.476E-03 I X 14.7500 1.643E-02 I X 15.0000 2.314E-02 I X 15.5000 3.550E-02 I X 16.0000 4.592E-02 I X 16.5000 5.391E-02 I X 17.0000 5.916E-02 I X 17.5000 6.149E-02 I X 18.0000 6.087E-02 I X 18.5000 5.744E-02 I X 19.0000 5.142E-02 I X 19.5000 4.316E-02 I X 20.0000 3.307E-02 I X 20.5000 2.162E-02 I X 21.0000 9.304E-03 I X 21.5000 -3.376E-03 XI 22.0000 -1.593E-02 X I 22.5000 -2.790E-02 X I 23.0000 -3.887E-02 X I 23.5000 -4.849E-02 X I 24.0000 -5.645E-02 X I 24.5000 -6.255E-02 X I 25.0000 -6.661E-02 X I 25.5000 -6.857E-02 X I 26.0000 -6.842E-02 X I 26.5000 -6.620E-02 X I 27.0000 -6.203E-02 X I 27.5000 -5.608E-02 X I 28.0000 -4.855E-02 X I 28.5000 -3.968E-02 X I 29.0000 -2.974E-02 X I 29.5000 -1.902E-02 X I 30.0000 -7.806E-03 X I 31.0000 1.493E-02 I X 32.0000 3.624E-02 I X 33.0000 5.422E-02 I X 34.0000 6.739E-02 I X 35.0000 7.483E-02 I X 36.0000 7.612E-02 I X 37.0000 7.140E-02 I X 38.0000 6.123E-02 I X 39.0000 4.657E-02 I X 40.0000 2.860E-02 I X 41.0000 8.664E-03 I X 42.0000 -1.185E-02 X I 43.0000 -3.161E-02 X I 44.0000 -4.944E-02 X I 45.0000 -6.432E-02 X I 46.0000 -7.550E-02 X I 47.0000 -8.248E-02 X I 48.0000 -8.501E-02 X I 49.0000 -8.310E-02 X I 50.0000 -7.698E-02 X I 52.0000 -5.402E-02 X I 54.0000 -2.117E-02 X I 56.0000 1.536E-02 I X 58.0000 4.948E-02 I X 60.0000 7.615E-02 I X 62.0000 9.198E-02 I X 64.0000 9.546E-02 I X 66.0000 8.685E-02 I X 68.0000 6.785E-02 I X 70.0000 4.120E-02 I X 72.0000 1.014E-02 I X 74.0000 -2.195E-02 X I 76.0000 -5.201E-02 X I 78.0000 -7.750E-02 X I 80.0000 -9.656E-02 X I 82.0000 -1.081E-01 X I 84.0000 -1.117E-01 X I 86.0000 -1.076E-01 X I 88.0000 -9.651E-02 X I 90.0000 -7.961E-02 X I 92.0000 -5.820E-02 X I 94.0000 -3.371E-02 X I 96.0000 -7.556E-03 X I 98.0000 1.896E-02 I X 100.0000 4.469E-02 I X 102.0000 6.869E-02 I X 104.0000 9.023E-02 I X 106.0000 1.088E-01 I X 108.0000 1.241E-01 I X 110.0000 1.360E-01 I X 112.0000 1.446E-01 I X 114.0000 1.500E-01 I X 116.0000 1.524E-01 I X 118.0000 1.522E-01 I X 120.0000 1.497E-01 I X 122.0000 1.453E-01 I X 124.0000 1.394E-01 I X 126.0000 1.323E-01 I X 128.0000 1.243E-01 I X 130.0000 1.158E-01 I X 132.0000 1.070E-01 I X 134.0000 9.813E-02 I X 136.0000 8.935E-02 I X 138.0000 8.082E-02 I X 140.0000 7.265E-02 I X 142.0000 6.493E-02 I X 144.0000 5.771E-02 I X 146.0000 5.103E-02 I X 148.0000 4.491E-02 I X 150.0000 3.933E-02 I X 152.0000 3.429E-02 I X 154.0000 2.978E-02 I X 156.0000 2.575E-02 I X 158.0000 2.218E-02 I X 160.0000 1.904E-02 I X 162.0000 1.628E-02 I X 164.0000 1.388E-02 I X 166.0000 1.179E-02 I X 168.0000 9.985E-03 I X 170.0000 8.431E-03 I X 172.0000 7.098E-03 I X 174.0000 5.959E-03 I X 176.0000 4.989E-03 I X 178.0000 4.166E-03 I X 180.0000 3.470E-03 IX 182.0000 2.883E-03 IX 184.0000 2.390E-03 IX 186.0000 1.977E-03 IX 188.0000 1.631E-03 IX HF 0.0 0.0 0.0 0.0 C 13p 2s2 13p 193861.2 197759.2 FIXEDHF -3898.0 HF 0.0 0.0 0.0 0.0 C 13p 2s2 13p 193861.2 197759.2 FIXEDHF -3898.0 12 6.01 CONFIG=13p 2s2 L=1 ELIM= 200562.000 N=13 E= 197759.200HF E= -0.02554099 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 29400 NSAVE=29400 IRREG=0 IFITER=99 NNODES=11 NUMR 28780 NUMS 28780 NUML 29391 RS 31.087 RL 0.500 DEL 13.04974455 RSCALE 1.50000000 DEL 15.34243870 RSCALE 1.48543952 DEL 13.04969569 RSCALE 1.50000000 DEL 11.28120480 RSCALE 1.51470320 DEL 9.87577602 RSCALE 1.52955052 DEL 8.73216077 RSCALE 1.54454338 DEL 7.78355939 RSCALE 1.55968321 DEL 6.98411859 RSCALE 1.57497143 DEL 6.30131825 RSCALE 1.59040951 DEL 5.71145381 RSCALE 1.60599892 DEL 5.19683884 RSCALE 1.62174113 DEL 4.74400937 RSCALE 1.63763766 DEL 4.34253491 RSCALE 1.65369000 DEL 3.98420981 RSCALE 1.66989969 DEL 3.66249021 RSCALE 1.68626827 DEL 3.37209368 RSCALE 1.70279730 DEL 3.10870935 RSCALE 1.71948835 DEL 2.86878439 RSCALE 1.73634300 DEL 2.64936446 RSCALE 1.75336287 DEL 2.44797279 RSCALE 1.77054957 DEL 2.26251743 RSCALE 1.78790473 DEL 2.09121935 RSCALE 1.80543001 DEL 1.93255597 RSCALE 1.82312708 DEL 1.78521663 RSCALE 1.84099762 DEL 1.64806693 RSCALE 1.85904332 DEL 1.52012001 RSCALE 1.87726591 DEL 1.40051332 RSCALE 1.89566713 DEL 1.28848958 RSCALE 1.91424871 DEL 1.18338121 RSCALE 1.93301243 DEL 1.08459740 RSCALE 1.95196008 DEL 0.99161334 RSCALE 1.97109345 DEL 0.90396120 RSCALE 1.99041437 DEL 0.82122259 RSCALE 2.00992468 DEL 0.74302216 RSCALE 2.02962623 DEL 0.66902218 RSCALE 2.04952090 DEL 0.59891787 RSCALE 2.06961058 DEL 0.53243348 RSCALE 2.08989718 DEL 0.46931888 RSCALE 2.11038263 DEL 0.40934660 RSCALE 2.13106889 DEL 0.35230930 RSCALE 2.15195791 DEL 0.29801762 RSCALE 2.17305169 DEL 0.24629811 RSCALE 2.19435223 DEL 0.19699165 RSCALE 2.21586157 DEL 0.14995203 RSCALE 2.23758174 DEL 0.10504454 RSCALE 2.25951482 DEL 0.06214491 RSCALE 2.28166288 DEL 0.02113828 RSCALE 2.30402805 DEL 0.00085260 RSCALE 2.31555694 DEL 0.00001223 RSCALE 2.31604150 DEL 0.00000001 RSCALE 2.31604855 CNORM= 1.00094E+00 0.0500 7.649E-04 X 0.1000 2.643E-03 IX 0.1500 5.146E-03 I X 0.2000 7.926E-03 I X 0.2500 1.074E-02 I X 0.3000 1.341E-02 I X 0.3500 1.583E-02 I X 0.4000 1.792E-02 I X 0.4500 1.964E-02 I X 0.5000 2.098E-02 I X 0.5500 2.192E-02 I X 0.6000 2.248E-02 I X 0.6500 2.268E-02 I X 0.7000 2.253E-02 I X 0.7500 2.206E-02 I X 0.8000 2.129E-02 I X 0.8500 2.027E-02 I X 0.9000 1.900E-02 I X 0.9500 1.754E-02 I X 1.0000 1.589E-02 I X 1.1000 1.215E-02 I X 1.2000 7.999E-03 I X 1.3000 3.595E-03 IX 1.4000 -9.122E-04 X 1.5000 -5.398E-03 X I 1.6000 -9.758E-03 X I 1.7000 -1.391E-02 X I 1.8000 -1.777E-02 X I 1.9000 -2.131E-02 X I 2.0000 -2.446E-02 X I 2.1000 -2.721E-02 X I 2.2000 -2.952E-02 X I 2.3000 -3.140E-02 X I 2.4000 -3.282E-02 X I 2.5000 -3.380E-02 X I 2.6000 -3.433E-02 X I 2.7000 -3.443E-02 X I 2.8000 -3.412E-02 X I 2.9000 -3.340E-02 X I 3.0000 -3.231E-02 X I 3.1000 -3.086E-02 X I 3.2000 -2.909E-02 X I 3.3000 -2.701E-02 X I 3.4000 -2.466E-02 X I 3.5000 -2.207E-02 X I 3.6000 -1.927E-02 X I 3.7000 -1.629E-02 X I 3.8000 -1.317E-02 X I 3.9000 -9.923E-03 X I 4.0000 -6.592E-03 X I 4.1000 -3.206E-03 XI 4.2000 2.079E-04 X 4.3000 3.620E-03 IX 4.4000 7.003E-03 I X 4.5000 1.033E-02 I X 4.6000 1.358E-02 I X 4.7000 1.673E-02 I X 4.8000 1.975E-02 I X 4.9000 2.264E-02 I X 5.0000 2.536E-02 I X 5.2000 3.026E-02 I X 5.4000 3.436E-02 I X 5.6000 3.757E-02 I X 5.8000 3.984E-02 I X 6.0000 4.115E-02 I X 6.2000 4.150E-02 I X 6.4000 4.091E-02 I X 6.6000 3.942E-02 I X 6.8000 3.708E-02 I X 7.0000 3.398E-02 I X 7.2000 3.019E-02 I X 7.4000 2.581E-02 I X 7.6000 2.093E-02 I X 7.8000 1.567E-02 I X 8.0000 1.012E-02 I X 8.2000 4.389E-03 I X 8.4000 -1.417E-03 XI 8.6000 -7.200E-03 X I 8.8000 -1.286E-02 X I 9.0000 -1.832E-02 X I 9.2000 -2.349E-02 X I 9.4000 -2.830E-02 X I 9.6000 -3.268E-02 X I 9.8000 -3.658E-02 X I 10.0000 -3.995E-02 X I 10.2500 -4.336E-02 X I 10.5000 -4.584E-02 X I 10.7500 -4.736E-02 X I 11.0000 -4.790E-02 X I 11.2500 -4.748E-02 X I 11.5000 -4.613E-02 X I 11.7500 -4.389E-02 X I 12.0000 -4.084E-02 X I 12.2500 -3.703E-02 X I 12.5000 -3.256E-02 X I 12.7500 -2.751E-02 X I 13.0000 -2.199E-02 X I 13.2500 -1.610E-02 X I 13.5000 -9.947E-03 X I 13.7500 -3.629E-03 XI 14.0000 2.748E-03 IX 14.2500 9.081E-03 I X 14.5000 1.528E-02 I X 14.7500 2.124E-02 I X 15.0000 2.689E-02 I X 15.5000 3.696E-02 I X 16.0000 4.497E-02 I X 16.5000 5.055E-02 I X 17.0000 5.350E-02 I X 17.5000 5.375E-02 I X 18.0000 5.137E-02 I X 18.5000 4.655E-02 I X 19.0000 3.958E-02 I X 19.5000 3.085E-02 I X 20.0000 2.077E-02 I X 20.5000 9.812E-03 I X 21.0000 -1.550E-03 XI 21.5000 -1.285E-02 X I 22.0000 -2.366E-02 X I 22.5000 -3.356E-02 X I 23.0000 -4.223E-02 X I 23.5000 -4.938E-02 X I 24.0000 -5.479E-02 X I 24.5000 -5.833E-02 X I 25.0000 -5.991E-02 X I 25.5000 -5.952E-02 X I 26.0000 -5.724E-02 X I 26.5000 -5.316E-02 X I 27.0000 -4.746E-02 X I 27.5000 -4.034E-02 X I 28.0000 -3.204E-02 X I 28.5000 -2.283E-02 X I 29.0000 -1.297E-02 X I 29.5000 -2.750E-03 XI 30.0000 7.540E-03 I X 31.0000 2.727E-02 I X 32.0000 4.427E-02 I X 33.0000 5.700E-02 I X 34.0000 6.443E-02 I X 35.0000 6.608E-02 I X 36.0000 6.201E-02 I X 37.0000 5.276E-02 I X 38.0000 3.926E-02 I X 39.0000 2.270E-02 I X 40.0000 4.415E-03 I X 41.0000 -1.419E-02 X I 42.0000 -3.181E-02 X I 43.0000 -4.726E-02 X I 44.0000 -5.960E-02 X I 45.0000 -6.813E-02 X I 46.0000 -7.243E-02 X I 47.0000 -7.237E-02 X I 48.0000 -6.809E-02 X I 49.0000 -5.995E-02 X I 50.0000 -4.851E-02 X I 52.0000 -1.864E-02 X I 54.0000 1.500E-02 I X 56.0000 4.588E-02 I X 58.0000 6.862E-02 I X 60.0000 7.979E-02 I X 62.0000 7.819E-02 I X 64.0000 6.471E-02 I X 66.0000 4.187E-02 I X 68.0000 1.327E-02 I X 70.0000 -1.709E-02 X I 72.0000 -4.537E-02 X I 74.0000 -6.834E-02 X I 76.0000 -8.372E-02 X I 78.0000 -9.022E-02 X I 80.0000 -8.763E-02 X I 82.0000 -7.664E-02 X I 84.0000 -5.866E-02 X I 86.0000 -3.558E-02 X I 88.0000 -9.556E-03 X I 90.0000 1.723E-02 I X 92.0000 4.276E-02 I X 94.0000 6.529E-02 I X 96.0000 8.347E-02 I X 98.0000 9.638E-02 I X 100.0000 1.035E-01 I X 102.0000 1.048E-01 I X 104.0000 1.004E-01 I X 106.0000 9.093E-02 I X 108.0000 7.711E-02 I X 110.0000 5.979E-02 I X 112.0000 3.993E-02 I X 114.0000 1.847E-02 I X 116.0000 -3.698E-03 XI 118.0000 -2.574E-02 X I 120.0000 -4.695E-02 X I 122.0000 -6.673E-02 X I 124.0000 -8.463E-02 X I 126.0000 -1.003E-01 X I 128.0000 -1.135E-01 X I 130.0000 -1.243E-01 X I 132.0000 -1.324E-01 X I 134.0000 -1.382E-01 X I 136.0000 -1.416E-01 X I 138.0000 -1.429E-01 X I 140.0000 -1.422E-01 X I 142.0000 -1.399E-01 X I 144.0000 -1.362E-01 X I 146.0000 -1.314E-01 X I 148.0000 -1.256E-01 X I 150.0000 -1.191E-01 X I 152.0000 -1.121E-01 X I 154.0000 -1.048E-01 X I 156.0000 -9.730E-02 X I 158.0000 -8.983E-02 X I 160.0000 -8.247E-02 X I 162.0000 -7.532E-02 X I 164.0000 -6.844E-02 X I 166.0000 -6.189E-02 X I 168.0000 -5.572E-02 X I 170.0000 -4.995E-02 X I 172.0000 -4.460E-02 X I 174.0000 -3.967E-02 X I 176.0000 -3.515E-02 X I 178.0000 -3.103E-02 X I 180.0000 -2.730E-02 X I 182.0000 -2.395E-02 X I 184.0000 -2.093E-02 X I 186.0000 -1.825E-02 X I 188.0000 -1.586E-02 X I 190.0000 -1.374E-02 X I 192.0000 -1.188E-02 X I 194.0000 -1.024E-02 X I 196.0000 -8.801E-03 X I 198.0000 -7.549E-03 X I 200.0000 -6.459E-03 X I 202.0000 -5.514E-03 X I 204.0000 -4.697E-03 X I 206.0000 -3.992E-03 X I 208.0000 -3.386E-03 XI 210.0000 -2.866E-03 XI 212.0000 -2.421E-03 XI 214.0000 -2.041E-03 XI 216.0000 -1.718E-03 XI 218.0000 -1.443E-03 XI HF 0.0 0.0 0.0 0.0 D 14p 2s2 14p 194248.0 198146.0 FIXEDHF -3898.0 HF 0.0 0.0 0.0 0.0 D 14p 2s2 14p 194248.0 198146.0 FIXEDHF -3898.0 13 6.01 CONFIG=14p 2s2 L=1 ELIM= 200562.000 N=14 E= 198146.000HF E= -0.02201621 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 32100 NSAVE=32100 IRREG=0 IFITER=99 NNODES=12 NUMR 31480 NUMS 31480 NUML 32091 RS 31.087 RL 0.500 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 DEL 40.13707628 RSCALE 1.68826322 DEL 78.08834728 RSCALE 1.67187527 DEL 40.13699626 RSCALE 1.68826322 DEL 26.51587939 RSCALE 1.70481180 DEL 19.50924653 RSCALE 1.72152259 DEL 15.24153670 RSCALE 1.73839719 DEL 12.37019756 RSCALE 1.75543719 DEL 10.30690959 RSCALE 1.77264422 DEL 8.75316162 RSCALE 1.79001992 DEL 7.54136661 RSCALE 1.80756593 DEL 6.57017625 RSCALE 1.82528393 DEL 5.77469747 RSCALE 1.84317561 DEL 5.11145320 RSCALE 1.86124267 DEL 4.55022079 RSCALE 1.87948682 DEL 4.06933846 RSCALE 1.89790980 DEL 3.65287436 RSCALE 1.91651336 DEL 3.28884937 RSCALE 1.93529928 DEL 2.96808260 RSCALE 1.95426935 DEL 2.68341921 RSCALE 1.97342536 DEL 2.42920051 RSCALE 1.99276914 DEL 2.20089232 RSCALE 2.01230253 DEL 1.99481866 RSCALE 2.03202739 DEL 1.80796770 RSCALE 2.05194559 DEL 1.63784818 RSCALE 2.07205904 DEL 1.48238156 RSCALE 2.09236964 DEL 1.33981975 RSCALE 2.11287932 DEL 1.20868195 RSCALE 2.13359005 DEL 1.08770533 RSCALE 2.15450379 DEL 0.97580642 RSCALE 2.17562252 DEL 0.87204997 RSCALE 2.19694826 DEL 0.77562472 RSCALE 2.21848305 DEL 0.68582337 RSCALE 2.24022891 DEL 0.60202633 RSCALE 2.26218794 DEL 0.52368859 RSCALE 2.28436221 DEL 0.45032876 RSCALE 2.30675383 DEL 0.38152000 RSCALE 2.32936494 DEL 0.31688253 RSCALE 2.35219769 DEL 0.25607726 RSCALE 2.37525425 DEL 0.19880048 RSCALE 2.39853681 DEL 0.14477938 RSCALE 2.42204759 DEL 0.09376814 RSCALE 2.44578882 DEL 0.04554473 RSCALE 2.46976277 DEL 0.00277369 RSCALE 2.49240503 DEL 0.00008758 RSCALE 2.49387337 DEL 0.00000017 RSCALE 2.49392125 DEL 0.00000000 RSCALE 2.49392135 CNORM= 1.00103E+00 0.0500 6.974E-04 X 0.1000 2.408E-03 IX 0.1500 4.684E-03 I X 0.2000 7.203E-03 I X 0.2500 9.739E-03 I X 0.3000 1.213E-02 I X 0.3500 1.429E-02 I X 0.4000 1.612E-02 I X 0.4500 1.761E-02 I X 0.5000 1.874E-02 I X 0.5500 1.950E-02 I X 0.6000 1.989E-02 I X 0.6500 1.995E-02 I X 0.7000 1.969E-02 I X 0.7500 1.913E-02 I X 0.8000 1.831E-02 I X 0.8500 1.725E-02 I X 0.9000 1.598E-02 I X 0.9500 1.452E-02 I X 1.0000 1.291E-02 I X 1.1000 9.318E-03 I X 1.2000 5.386E-03 I X 1.3000 1.275E-03 IX 1.4000 -2.874E-03 XI 1.5000 -6.949E-03 X I 1.6000 -1.085E-02 X I 1.7000 -1.451E-02 X I 1.8000 -1.786E-02 X I 1.9000 -2.086E-02 X I 2.0000 -2.348E-02 X I 2.1000 -2.569E-02 X I 2.2000 -2.749E-02 X I 2.3000 -2.885E-02 X I 2.4000 -2.979E-02 X I 2.5000 -3.032E-02 X I 2.6000 -3.043E-02 X I 2.7000 -3.016E-02 X I 2.8000 -2.951E-02 X I 2.9000 -2.852E-02 X I 3.0000 -2.719E-02 X I 3.1000 -2.556E-02 X I 3.2000 -2.366E-02 X I 3.3000 -2.151E-02 X I 3.4000 -1.914E-02 X I 3.5000 -1.659E-02 X I 3.6000 -1.387E-02 X I 3.7000 -1.102E-02 X I 3.8000 -8.076E-03 X I 3.9000 -5.058E-03 X I 4.0000 -1.994E-03 XI 4.1000 1.086E-03 X 4.2000 4.157E-03 I X 4.3000 7.194E-03 I X 4.4000 1.017E-02 I X 4.5000 1.307E-02 I X 4.6000 1.587E-02 I X 4.7000 1.855E-02 I X 4.8000 2.110E-02 I X 4.9000 2.349E-02 I X 5.0000 2.571E-02 I X 5.2000 2.961E-02 I X 5.4000 3.272E-02 I X 5.6000 3.497E-02 I X 5.8000 3.635E-02 I X 6.0000 3.685E-02 I X 6.2000 3.648E-02 I X 6.4000 3.527E-02 I X 6.6000 3.329E-02 I X 6.8000 3.059E-02 I X 7.0000 2.725E-02 I X 7.2000 2.336E-02 I X 7.4000 1.900E-02 I X 7.6000 1.428E-02 I X 7.8000 9.294E-03 I X 8.0000 4.135E-03 I X 8.2000 -1.098E-03 X 8.4000 -6.313E-03 X I 8.6000 -1.142E-02 X I 8.8000 -1.634E-02 X I 9.0000 -2.099E-02 X I 9.2000 -2.531E-02 X I 9.4000 -2.924E-02 X I 9.6000 -3.272E-02 X I 9.8000 -3.571E-02 X I 10.0000 -3.819E-02 X I 10.2500 -4.051E-02 X I 10.5000 -4.195E-02 X I 10.7500 -4.250E-02 X I 11.0000 -4.216E-02 X I 11.2500 -4.097E-02 X I 11.5000 -3.897E-02 X I 11.7500 -3.621E-02 X I 12.0000 -3.276E-02 X I 12.2500 -2.871E-02 X I 12.5000 -2.413E-02 X I 12.7500 -1.913E-02 X I 13.0000 -1.379E-02 X I 13.2500 -8.212E-03 X I 13.5000 -2.498E-03 XI 13.7500 3.257E-03 IX 14.0000 8.959E-03 I X 14.2500 1.452E-02 I X 14.5000 1.986E-02 I X 14.7500 2.489E-02 I X 15.0000 2.955E-02 I X 15.5000 3.751E-02 I X 16.0000 4.335E-02 I X 16.5000 4.682E-02 I X 17.0000 4.780E-02 I X 17.5000 4.633E-02 I X 18.0000 4.255E-02 I X 18.5000 3.671E-02 I X 19.0000 2.915E-02 I X 19.5000 2.026E-02 I X 20.0000 1.046E-02 I X 20.5000 2.204E-04 X 21.0000 -1.003E-02 X I 21.5000 -1.988E-02 X I 22.0000 -2.894E-02 X I 22.5000 -3.688E-02 X I 23.0000 -4.342E-02 X I 23.5000 -4.836E-02 X I 24.0000 -5.156E-02 X I 24.5000 -5.294E-02 X I 25.0000 -5.250E-02 X I 25.5000 -5.030E-02 X I 26.0000 -4.645E-02 X I 26.5000 -4.110E-02 X I 27.0000 -3.446E-02 X I 27.5000 -2.676E-02 X I 28.0000 -1.825E-02 X I 28.5000 -9.205E-03 X I 29.0000 1.092E-04 X 29.5000 9.421E-03 I X 30.0000 1.847E-02 I X 31.0000 3.485E-02 I X 32.0000 4.761E-02 I X 33.0000 5.561E-02 I X 34.0000 5.824E-02 I X 35.0000 5.544E-02 I X 36.0000 4.766E-02 I X 37.0000 3.572E-02 I X 38.0000 2.077E-02 I X 39.0000 4.133E-03 I X 40.0000 -1.284E-02 X I 41.0000 -2.884E-02 X I 42.0000 -4.272E-02 X I 43.0000 -5.354E-02 X I 44.0000 -6.064E-02 X I 45.0000 -6.365E-02 X I 46.0000 -6.248E-02 X I 47.0000 -5.735E-02 X I 48.0000 -4.866E-02 X I 49.0000 -3.704E-02 X I 50.0000 -2.325E-02 X I 52.0000 7.440E-03 I X 54.0000 3.660E-02 I X 56.0000 5.841E-02 I X 58.0000 6.904E-02 I X 60.0000 6.706E-02 I X 62.0000 5.341E-02 I X 64.0000 3.089E-02 I X 66.0000 3.465E-03 IX 68.0000 -2.452E-02 X I 70.0000 -4.901E-02 X I 72.0000 -6.679E-02 X I 74.0000 -7.583E-02 X I 76.0000 -7.536E-02 X I 78.0000 -6.585E-02 X I 80.0000 -4.878E-02 X I 82.0000 -2.635E-02 X I 84.0000 -1.126E-03 X 86.0000 2.423E-02 I X 88.0000 4.727E-02 I X 90.0000 6.597E-02 I X 92.0000 7.888E-02 I X 94.0000 8.514E-02 I X 96.0000 8.453E-02 I X 98.0000 7.739E-02 I X 100.0000 6.452E-02 I X 102.0000 4.708E-02 I X 104.0000 2.645E-02 I X 106.0000 4.093E-03 I X 108.0000 -1.852E-02 X I 110.0000 -4.006E-02 X I 112.0000 -5.934E-02 X I 114.0000 -7.543E-02 X I 116.0000 -8.764E-02 X I 118.0000 -9.556E-02 X I 120.0000 -9.900E-02 X I 122.0000 -9.804E-02 X I 124.0000 -9.292E-02 X I 126.0000 -8.405E-02 X I 128.0000 -7.196E-02 X I 130.0000 -5.725E-02 X I 132.0000 -4.056E-02 X I 134.0000 -2.255E-02 X I 136.0000 -3.831E-03 X I 138.0000 1.500E-02 I X 140.0000 3.343E-02 I X 142.0000 5.100E-02 I X 144.0000 6.734E-02 I X 146.0000 8.216E-02 I X 148.0000 9.525E-02 I X 150.0000 1.065E-01 I X 152.0000 1.158E-01 I X 154.0000 1.231E-01 I X 156.0000 1.285E-01 I X 158.0000 1.321E-01 I X 160.0000 1.341E-01 I X 162.0000 1.344E-01 I X 164.0000 1.334E-01 I X 166.0000 1.311E-01 I X 168.0000 1.278E-01 I X 170.0000 1.236E-01 I X 172.0000 1.187E-01 I X 174.0000 1.132E-01 I X 176.0000 1.073E-01 I X 178.0000 1.012E-01 I X 180.0000 9.486E-02 I X 182.0000 8.848E-02 I X 184.0000 8.214E-02 I X 186.0000 7.590E-02 I X 188.0000 6.984E-02 I X 190.0000 6.400E-02 I X 192.0000 5.842E-02 I X 194.0000 5.313E-02 I X 196.0000 4.814E-02 I X 198.0000 4.348E-02 I X 200.0000 3.913E-02 I X 202.0000 3.512E-02 I X 204.0000 3.142E-02 I X 206.0000 2.802E-02 I X 208.0000 2.493E-02 I X 210.0000 2.211E-02 I X 212.0000 1.957E-02 I X 214.0000 1.727E-02 I X 216.0000 1.520E-02 I X 218.0000 1.335E-02 I X 220.0000 1.170E-02 I X 222.0000 1.023E-02 I X 224.0000 8.929E-03 I X 226.0000 7.774E-03 I X 228.0000 6.755E-03 I X 230.0000 5.859E-03 I X 232.0000 5.071E-03 I X 234.0000 4.381E-03 I X 236.0000 3.778E-03 I X 238.0000 3.253E-03 IX 240.0000 2.795E-03 IX 242.0000 2.398E-03 IX 244.0000 2.054E-03 IX 246.0000 1.757E-03 IX 248.0000 1.500E-03 IX HF 0.0 0.0 0.0 0.0 E 15p 2s2 15p 194558.6 198456.6 FIXEDHF -3898.0 HF 0.0 0.0 0.0 0.0 E 15p 2s2 15p 194558.6 198456.6 FIXEDHF -3898.0 14 6.01 CONFIG=15p 2s2 L=1 ELIM= 200562.000 N=15 E= 198456.600HF E= -0.01918582 Z=2.0000 L=1.0000 STEP=-.0500 NUM= 34900 NSAVE=34900 IRREG=0 IFITER=99 NNODES=13 NUMR 34280 NUMS 34280 NUML 34891 RS 31.087 RL 0.500 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 21.38539486 RSCALE 2.01587457 DEL 36.45104491 RSCALE 1.99630651 DEL 21.38539437 RSCALE 2.01587457 DEL 14.80494504 RSCALE 2.03563444 DEL 11.11823037 RSCALE 2.05558800 DEL 8.76178656 RSCALE 2.07573715 DEL 7.12655750 RSCALE 2.09608381 DEL 5.92605378 RSCALE 2.11662990 DEL 5.00777484 RSCALE 2.13737739 DEL 4.28307644 RSCALE 2.15832825 DEL 3.69691530 RSCALE 2.17948447 DEL 3.21330490 RSCALE 2.20084807 DEL 2.80772632 RSCALE 2.22242108 DEL 2.46289700 RSCALE 2.24420555 DEL 2.16628423 RSCALE 2.26620355 DEL 1.90857842 RSCALE 2.28841718 DEL 1.68271944 RSCALE 2.31084855 DEL 1.48325587 RSCALE 2.33349980 DEL 1.30591145 RSCALE 2.35637308 DEL 1.14728463 RSCALE 2.37947056 DEL 1.00463577 RSCALE 2.40279445 DEL 0.87573358 RSCALE 2.42634697 DEL 0.75874246 RSCALE 2.45013035 DEL 0.65213852 RSCALE 2.47414685 DEL 0.55464607 RSCALE 2.49839877 DEL 0.46518911 RSCALE 2.52288841 DEL 0.38285373 RSCALE 2.54761810 DEL 0.30685869 RSCALE 2.57259019 DEL 0.23653219 RSCALE 2.59780707 DEL 0.17129340 RSCALE 2.62327112 DEL 0.11063756 RSCALE 2.64898478 DEL 0.05412392 RSCALE 2.67495048 DEL 0.00398884 RSCALE 2.69981820 DEL 0.00015535 RSCALE 2.70179673 DEL 0.00000046 RSCALE 2.70187691 DEL 0.00000000 RSCALE 2.70187715 CNORM= 1.00113E+00 0.0500 6.406E-04 X 0.1000 2.211E-03 IX 0.1500 4.294E-03 I X 0.2000 6.594E-03 I X 0.2500 8.898E-03 I X 0.3000 1.106E-02 I X 0.3500 1.299E-02 I X 0.4000 1.461E-02 I X 0.4500 1.590E-02 I X 0.5000 1.685E-02 I X 0.5500 1.744E-02 I X 0.6000 1.770E-02 I X 0.6500 1.764E-02 I X 0.7000 1.729E-02 I X 0.7500 1.666E-02 I X 0.8000 1.579E-02 I X 0.8500 1.470E-02 I X 0.9000 1.342E-02 I X 0.9500 1.198E-02 I X 1.0000 1.040E-02 I X 1.1000 6.940E-03 I X 1.2000 3.209E-03 IX 1.3000 -6.346E-04 X 1.4000 -4.460E-03 X I 1.5000 -8.161E-03 X I 1.6000 -1.165E-02 X I 1.7000 -1.487E-02 X I 1.8000 -1.775E-02 X I 1.9000 -2.027E-02 X I 2.0000 -2.240E-02 X I 2.1000 -2.413E-02 X I 2.2000 -2.545E-02 X I 2.3000 -2.636E-02 X I 2.4000 -2.687E-02 X I 2.5000 -2.698E-02 X I 2.6000 -2.673E-02 X I 2.7000 -2.612E-02 X I 2.8000 -2.519E-02 X I 2.9000 -2.394E-02 X I 3.0000 -2.242E-02 X I 3.1000 -2.064E-02 X I 3.2000 -1.864E-02 X I 3.3000 -1.643E-02 X I 3.4000 -1.406E-02 X I 3.5000 -1.155E-02 X I 3.6000 -8.931E-03 X I 3.7000 -6.224E-03 X I 3.8000 -3.459E-03 XI 3.9000 -6.640E-04 X 4.0000 2.137E-03 IX 4.1000 4.921E-03 I X 4.2000 7.663E-03 I X 4.3000 1.034E-02 I X 4.4000 1.294E-02 I X 4.5000 1.543E-02 I X 4.6000 1.781E-02 I X 4.7000 2.005E-02 I X 4.8000 2.214E-02 I X 4.9000 2.408E-02 I X 5.0000 2.584E-02 I X 5.2000 2.881E-02 I X 5.4000 3.100E-02 I X 5.6000 3.238E-02 I X 5.8000 3.295E-02 I X 6.0000 3.272E-02 I X 6.2000 3.171E-02 I X 6.4000 2.998E-02 I X 6.6000 2.757E-02 I X 6.8000 2.458E-02 I X 7.0000 2.106E-02 I X 7.2000 1.712E-02 I X 7.4000 1.283E-02 I X 7.6000 8.299E-03 I X 7.8000 3.607E-03 I X 8.0000 -1.151E-03 X 8.2000 -5.888E-03 X I 8.4000 -1.052E-02 X I 8.6000 -1.498E-02 X I 8.8000 -1.918E-02 X I 9.0000 -2.307E-02 X I 9.2000 -2.660E-02 X I 9.4000 -2.970E-02 X I 9.6000 -3.235E-02 X I 9.8000 -3.452E-02 X I 10.0000 -3.617E-02 X I 10.2500 -3.751E-02 X I 10.5000 -3.802E-02 X I 10.7500 -3.772E-02 X I 11.0000 -3.663E-02 X I 11.2500 -3.479E-02 X I 11.5000 -3.225E-02 X I 11.7500 -2.908E-02 X I 12.0000 -2.536E-02 X I 12.2500 -2.116E-02 X I 12.5000 -1.657E-02 X I 12.7500 -1.168E-02 X I 13.0000 -6.588E-03 X I 13.2500 -1.380E-03 XI 13.5000 3.851E-03 I X 13.7500 9.019E-03 I X 14.0000 1.404E-02 I X 14.2500 1.884E-02 I X 14.5000 2.334E-02 I X 14.7500 2.748E-02 I X 15.0000 3.120E-02 I X 15.5000 3.722E-02 I X 16.0000 4.110E-02 I X 16.5000 4.270E-02 I X 17.0000 4.201E-02 I X 17.5000 3.913E-02 I X 18.0000 3.427E-02 I X 18.5000 2.773E-02 I X 19.0000 1.987E-02 I X 19.5000 1.109E-02 I X 20.0000 1.802E-03 IX 20.5000 -7.563E-03 X I 21.0000 -1.661E-02 X I 21.5000 -2.496E-02 X I 22.0000 -3.231E-02 X I 22.5000 -3.838E-02 X I 23.0000 -4.297E-02 X I 23.5000 -4.595E-02 X I 24.0000 -4.724E-02 X I 24.5000 -4.683E-02 X I 25.0000 -4.478E-02 X I 25.5000 -4.119E-02 X I 26.0000 -3.622E-02 X I 26.5000 -3.006E-02 X I 27.0000 -2.294E-02 X I 27.5000 -1.509E-02 X I 28.0000 -6.771E-03 X I 28.5000 1.750E-03 IX 29.0000 1.022E-02 I X 29.5000 1.839E-02 I X 30.0000 2.604E-02 I X 31.0000 3.899E-02 I X 32.0000 4.778E-02 I X 33.0000 5.165E-02 I X 34.0000 5.039E-02 I X 35.0000 4.430E-02 I X 36.0000 3.408E-02 I X 37.0000 2.081E-02 I X 38.0000 5.721E-03 I X 39.0000 -9.856E-03 X I 40.0000 -2.464E-02 X I 41.0000 -3.747E-02 X I 42.0000 -4.744E-02 X I 43.0000 -5.388E-02 X I 44.0000 -5.642E-02 X I 45.0000 -5.500E-02 X I 46.0000 -4.982E-02 X I 47.0000 -4.133E-02 X I 48.0000 -3.016E-02 X I 49.0000 -1.708E-02 X I 50.0000 -2.961E-03 XI 52.0000 2.499E-02 I X 54.0000 4.740E-02 I X 56.0000 5.974E-02 I X 58.0000 5.997E-02 I X 60.0000 4.858E-02 I X 62.0000 2.819E-02 I X 64.0000 2.791E-03 IX 66.0000 -2.312E-02 X I 68.0000 -4.532E-02 X I 70.0000 -6.052E-02 X I 72.0000 -6.676E-02 X I 74.0000 -6.350E-02 X I 76.0000 -5.157E-02 X I 78.0000 -3.288E-02 X I 80.0000 -1.003E-02 X I 82.0000 1.405E-02 I X 84.0000 3.652E-02 I X 86.0000 5.493E-02 I X 88.0000 6.746E-02 I X 90.0000 7.303E-02 I X 92.0000 7.136E-02 I X 94.0000 6.287E-02 I X 96.0000 4.860E-02 I X 98.0000 3.003E-02 I X 100.0000 8.886E-03 I X 102.0000 -1.300E-02 X I 104.0000 -3.386E-02 X I 106.0000 -5.217E-02 X I 108.0000 -6.668E-02 X I 110.0000 -7.650E-02 X I 112.0000 -8.114E-02 X I 114.0000 -8.051E-02 X I 116.0000 -7.483E-02 X I 118.0000 -6.463E-02 X I 120.0000 -5.068E-02 X I 122.0000 -3.390E-02 X I 124.0000 -1.529E-02 X I 126.0000 4.112E-03 I X 128.0000 2.332E-02 I X 130.0000 4.142E-02 I X 132.0000 5.763E-02 I X 134.0000 7.132E-02 I X 136.0000 8.202E-02 I X 138.0000 8.940E-02 I X 140.0000 9.334E-02 I X 142.0000 9.382E-02 I X 144.0000 9.097E-02 I X 146.0000 8.504E-02 I X 148.0000 7.635E-02 I X 150.0000 6.530E-02 I X 152.0000 5.233E-02 I X 154.0000 3.787E-02 I X 156.0000 2.240E-02 I X 158.0000 6.360E-03 I X 160.0000 -9.840E-03 X I 162.0000 -2.582E-02 X I 164.0000 -4.124E-02 X I 166.0000 -5.582E-02 X I 168.0000 -6.932E-02 X I 170.0000 -8.157E-02 X I 172.0000 -9.242E-02 X I 174.0000 -1.018E-01 X I 176.0000 -1.097E-01 X I 178.0000 -1.160E-01 X I 180.0000 -1.208E-01 X I 182.0000 -1.242E-01 X I 184.0000 -1.263E-01 X I 186.0000 -1.271E-01 X I 188.0000 -1.267E-01 X I 190.0000 -1.254E-01 X I 192.0000 -1.231E-01 X I 194.0000 -1.200E-01 X I 196.0000 -1.162E-01 X I 198.0000 -1.119E-01 X I 200.0000 -1.072E-01 X I 202.0000 -1.022E-01 X I 204.0000 -9.690E-02 X I 206.0000 -9.148E-02 X I 208.0000 -8.598E-02 X I 210.0000 -8.049E-02 X I 212.0000 -7.505E-02 X I 214.0000 -6.972E-02 X I 216.0000 -6.454E-02 X I 218.0000 -5.955E-02 X I 220.0000 -5.476E-02 X I 222.0000 -5.020E-02 X I 224.0000 -4.589E-02 X I 226.0000 -4.182E-02 X I 228.0000 -3.801E-02 X I 230.0000 -3.445E-02 X I 232.0000 -3.115E-02 X I 234.0000 -2.810E-02 X I 236.0000 -2.528E-02 X I 238.0000 -2.269E-02 X I 240.0000 -2.032E-02 X I 242.0000 -1.816E-02 X I 244.0000 -1.620E-02 X I 246.0000 -1.441E-02 X I 248.0000 -1.280E-02 X I 250.0000 -1.135E-02 X I 252.0000 -1.004E-02 X I 254.0000 -8.868E-03 X I 256.0000 -7.818E-03 X I 258.0000 -6.880E-03 X I 260.0000 -6.045E-03 X I 262.0000 -5.302E-03 X I 264.0000 -4.643E-03 X I 266.0000 -4.060E-03 X I 268.0000 -3.544E-03 X I 270.0000 -3.090E-03 XI 272.0000 -2.689E-03 XI 274.0000 -2.337E-03 XI 276.0000 -2.029E-03 XI 278.0000 -1.759E-03 XI 280.0000 -1.522E-03 XI 282.0000 -1.316E-03 XI 0.0 0.0 0.0 0.0 F 4f 2s4f 2s 169091.2 172763.9 -3898.0 0.0 0.0 0.0 0.0 F 4f 2s4f 2s 169091.2 172763.9 -3898.0 15 6.01 CONFIG=4f 2s4f L=0 ELIM= 520269.600 N= 2 E= 169091.200 E= -3.20017321 Z=2.0000 L=0.0000 STEP=-.0500 NUM= 3000 NSAVE= 3000 IRREG=0 IFITER=99 NNODES= 1 NUMR 2380 NUMS 2380 NUML 2996 RS 31.087 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 0.97698511 RSCALE 1.73891111 DEL 0.99124766 RSCALE 1.72203153 DEL 0.97698511 RSCALE 1.73891111 DEL 0.96245917 RSCALE 1.75595615 DEL 0.94766458 RSCALE 1.77316827 DEL 0.93259582 RSCALE 1.79054910 DEL 0.91724717 RSCALE 1.80810030 DEL 0.90161264 RSCALE 1.82582355 DEL 0.88568598 RSCALE 1.84372051 DEL 0.86946068 RSCALE 1.86179291 DEL 0.85292993 RSCALE 1.88004245 DEL 0.83608665 RSCALE 1.89847088 DEL 0.81892341 RSCALE 1.91707995 DEL 0.80143248 RSCALE 1.93587142 DEL 0.78360577 RSCALE 1.95484709 DEL 0.76543485 RSCALE 1.97400876 DEL 0.74691087 RSCALE 1.99335826 DEL 0.72802462 RSCALE 2.01289743 DEL 0.70876644 RSCALE 2.03262812 DEL 0.68912624 RSCALE 2.05255221 DEL 0.66909344 RSCALE 2.07267160 DEL 0.64865699 RSCALE 2.09298821 DEL 0.62780532 RSCALE 2.11350396 DEL 0.60652628 RSCALE 2.13422081 DEL 0.58480716 RSCALE 2.15514073 DEL 0.56263463 RSCALE 2.17626570 DEL 0.53999471 RSCALE 2.19759775 DEL 0.51687272 RSCALE 2.21913890 DEL 0.49325326 RSCALE 2.24089120 DEL 0.46912015 RSCALE 2.26285671 DEL 0.44445639 RSCALE 2.28503754 DEL 0.41924409 RSCALE 2.30743578 DEL 0.39346445 RSCALE 2.33005358 DEL 0.36709768 RSCALE 2.35289307 DEL 0.34012292 RSCALE 2.37595645 DEL 0.31251822 RSCALE 2.39924589 DEL 0.28426040 RSCALE 2.42276362 DEL 0.25532503 RSCALE 2.44651187 DEL 0.22568630 RSCALE 2.47049291 DEL 0.19531696 RSCALE 2.49470901 DEL 0.16418818 RSCALE 2.51916249 DEL 0.13226948 RSCALE 2.54385565 DEL 0.09952858 RSCALE 2.56879087 DEL 0.06593128 RSCALE 2.59397050 DEL 0.03144132 RSCALE 2.61939695 DEL -0.00050871 RSCALE 2.64257589 DEL 0.00000388 RSCALE 2.64220683 DEL 0.00000000 RSCALE 2.64220962 CNORM= 6.78591E-01 0.0500 3.032E-01 I X 0.1000 4.345E-01 I X 0.1500 4.501E-01 I X 0.2000 3.903E-01 I X 0.2500 2.843E-01 I X 0.3000 1.528E-01 I X 0.3500 1.038E-02 IX 0.4000 -1.329E-01 X I 0.4500 -2.703E-01 X I 0.5000 -3.974E-01 X I 0.5500 -5.118E-01 X I 0.6000 -6.121E-01 X I 0.6500 -6.979E-01 X I 0.7000 -7.694E-01 X I 0.7500 -8.273E-01 X I 0.8000 -8.724E-01 X I 0.8500 -9.059E-01 X I 0.9000 -9.288E-01 X I 0.9500 -9.423E-01 X I 1.0000 -9.475E-01 X I 1.1000 -9.374E-01 X I 1.2000 -9.062E-01 X I 1.3000 -8.604E-01 X I 1.4000 -8.053E-01 X I 1.5000 -7.451E-01 X I 1.6000 -6.827E-01 X I 1.7000 -6.206E-01 X I 1.8000 -5.603E-01 X I 1.9000 -5.029E-01 X I 2.0000 -4.492E-01 X I 2.1000 -3.994E-01 X I 2.2000 -3.538E-01 X I 2.3000 -3.124E-01 X I 2.4000 -2.750E-01 X I 2.5000 -2.414E-01 X I 2.6000 -2.115E-01 X I 2.7000 -1.848E-01 X I 2.8000 -1.612E-01 X I 2.9000 -1.404E-01 X I 3.0000 -1.221E-01 X I 3.1000 -1.060E-01 X I 3.2000 -9.191E-02 X I 3.3000 -7.960E-02 X I 3.4000 -6.885E-02 X I 3.5000 -5.950E-02 X I 3.6000 -5.136E-02 X I 3.7000 -4.430E-02 X I 3.8000 -3.818E-02 X I 3.9000 -3.287E-02 X I 4.0000 -2.828E-02 X I 4.1000 -2.432E-02 XI 4.2000 -2.089E-02 XI 4.3000 -1.794E-02 XI 4.4000 -1.540E-02 XI 4.5000 -1.320E-02 XI 4.6000 -1.132E-02 XI 4.7000 -9.696E-03 XI HF 0.0 0.0 0.0 0.0 F 4f 2s2 4f 169091.2 172763.9 -3898.0 HF 0.0 0.0 0.0 0.0 F 4f 2s2 4f 169091.2 172763.9 -3898.0 15 6.01 CONFIG=4f 2s2 L=3 ELIM= 200562.000 N= 4 E= 172763.900HF E= -0.25331494 Z=2.0000 L=3.0000 STEP=-.0500 NUM= 7900 NSAVE= 7900 IRREG=0 IFITER=99 NNODES= 0 NUMR 7771 NUMS 7771 NUML 7841 RS 6.545 RL 3.000 DEL 0.27788502 RSCALE 3.00000000 DEL 0.29104926 RSCALE 2.97087905 DEL 0.27789404 RSCALE 3.00000000 DEL 0.26429802 RSCALE 3.02940640 DEL 0.25026098 RSCALE 3.05910105 DEL 0.23578408 RSCALE 3.08908677 DEL 0.22086931 RSCALE 3.11936641 DEL 0.20551955 RSCALE 3.14994286 DEL 0.18973867 RSCALE 3.18081902 DEL 0.17353159 RSCALE 3.21199783 DEL 0.15690435 RSCALE 3.24348227 DEL 0.13986414 RSCALE 3.27527532 DEL 0.12241930 RSCALE 3.30738000 DEL 0.10457931 RSCALE 3.33979938 DEL 0.08635482 RSCALE 3.37253655 DEL 0.06775763 RSCALE 3.40559460 DEL 0.04880061 RSCALE 3.43897670 DEL 0.02949777 RSCALE 3.47268601 DEL 0.00986413 RSCALE 3.50672574 DEL -0.00004684 RSCALE 3.52382764 DEL 0.00000007 RSCALE 3.52374681 DEL 0.00000000 RSCALE 3.52374693 CNORM= 1.01733E+00 0.0500 1.370E-07 X 0.1000 2.040E-06 X 0.1500 9.629E-06 X 0.2000 2.842E-05 X 0.2500 6.489E-05 X 0.3000 1.260E-04 X 0.3500 2.189E-04 X 0.4000 3.508E-04 X 0.4500 5.282E-04 X 0.5000 7.579E-04 X 0.5500 1.046E-03 X 0.6000 1.397E-03 X 0.6500 1.817E-03 X 0.7000 2.310E-03 X 0.7500 2.881E-03 X 0.8000 3.532E-03 IX 0.8500 4.267E-03 IX 0.9000 5.087E-03 IX 0.9500 5.997E-03 IX 1.0000 6.996E-03 IX 1.1000 9.270E-03 IX 1.2000 1.192E-02 I X 1.3000 1.494E-02 I X 1.4000 1.833E-02 I X 1.5000 2.210E-02 I X 1.6000 2.622E-02 I X 1.7000 3.070E-02 I X 1.8000 3.552E-02 I X 1.9000 4.066E-02 I X 2.0000 4.613E-02 I X 2.1000 5.189E-02 I X 2.2000 5.793E-02 I X 2.3000 6.425E-02 I X 2.4000 7.082E-02 I X 2.5000 7.762E-02 I X 2.6000 8.465E-02 I X 2.7000 9.187E-02 I X 2.8000 9.928E-02 I X 2.9000 1.069E-01 I X 3.0000 1.146E-01 I X 3.1000 1.224E-01 I X 3.2000 1.304E-01 I X 3.3000 1.385E-01 I X 3.4000 1.466E-01 I X 3.5000 1.548E-01 I X 3.6000 1.630E-01 I X 3.7000 1.713E-01 I X 3.8000 1.796E-01 I X 3.9000 1.878E-01 I X 4.0000 1.961E-01 I X 4.1000 2.042E-01 I X 4.2000 2.124E-01 I X 4.3000 2.204E-01 I X 4.4000 2.284E-01 I X 4.5000 2.362E-01 I X 4.6000 2.440E-01 I X 4.7000 2.516E-01 I X 4.8000 2.590E-01 I X 4.9000 2.663E-01 I X 5.0000 2.734E-01 I X 5.2000 2.871E-01 I X 5.4000 2.999E-01 I X 5.6000 3.118E-01 I X 5.8000 3.227E-01 I X 6.0000 3.326E-01 I X 6.2000 3.414E-01 I X 6.4000 3.492E-01 I X 6.6000 3.558E-01 I X 6.8000 3.614E-01 I X 7.0000 3.658E-01 I X 7.2000 3.692E-01 I X 7.4000 3.715E-01 I X 7.6000 3.729E-01 I X 7.8000 3.732E-01 I X 8.0000 3.727E-01 I X 8.2000 3.712E-01 I X 8.4000 3.689E-01 I X 8.6000 3.659E-01 I X 8.8000 3.621E-01 I X 9.0000 3.576E-01 I X 9.2000 3.525E-01 I X 9.4000 3.469E-01 I X 9.6000 3.408E-01 I X 9.8000 3.342E-01 I X 10.0000 3.272E-01 I X 10.2500 3.180E-01 I X 10.5000 3.083E-01 I X 10.7500 2.983E-01 I X 11.0000 2.879E-01 I X 11.2500 2.774E-01 I X 11.5000 2.668E-01 I X 11.7500 2.561E-01 I X 12.0000 2.454E-01 I X 12.2500 2.347E-01 I X 12.5000 2.241E-01 I X 12.7500 2.137E-01 I X 13.0000 2.035E-01 I X 13.2500 1.934E-01 I X 13.5000 1.836E-01 I X 13.7500 1.741E-01 I X 14.0000 1.648E-01 I X 14.2500 1.559E-01 I X 14.5000 1.472E-01 I X 14.7500 1.389E-01 I X 15.0000 1.309E-01 I X 15.5000 1.159E-01 I X 16.0000 1.021E-01 I X 16.5000 8.971E-02 I X 17.0000 7.850E-02 I X 17.5000 6.845E-02 I X 18.0000 5.950E-02 I X 18.5000 5.156E-02 I X 19.0000 4.456E-02 I X 19.5000 3.840E-02 I X 20.0000 3.300E-02 I X 20.5000 2.830E-02 I X 21.0000 2.421E-02 I X 21.5000 2.066E-02 I X 22.0000 1.760E-02 I X 22.5000 1.495E-02 I X 23.0000 1.269E-02 I X 23.5000 1.074E-02 I X 24.0000 9.078E-03 IX 24.5000 7.660E-03 IX 25.0000 6.452E-03 IX 25.5000 5.426E-03 IX 26.0000 4.557E-03 IX 26.5000 3.821E-03 IX HF 0.0 0.0 0.0 0.0 G 5f 2s2 5f 179026.6 182761.6 -3898.0 HF 0.0 0.0 0.0 0.0 G 5f 2s2 5f 179026.6 182761.6 -3898.0 16 6.01 CONFIG=5f 2s2 L=3 ELIM= 200562.000 N= 5 E= 182761.600HF E= -0.16220919 Z=2.0000 L=3.0000 STEP=-.0500 NUM= 10100 NSAVE=10100 IRREG=0 IFITER=99 NNODES= 1 NUMR 9971 NUMS 9971 NUML 10041 RS 6.545 RL 3.000 DEL 0.21931168 RSCALE 3.00000000 DEL 0.23230674 RSCALE 2.97087905 DEL 0.21931945 RSCALE 3.00000000 DEL 0.20592828 RSCALE 3.02940640 DEL 0.19213508 RSCALE 3.05910105 DEL 0.17794306 RSCALE 3.08908677 DEL 0.16335622 RSCALE 3.11936641 DEL 0.14837945 RSCALE 3.14994286 DEL 0.13301857 RSCALE 3.18081902 DEL 0.11728041 RSCALE 3.21199783 DEL 0.10117284 RSCALE 3.24348227 DEL 0.08470476 RSCALE 3.27527532 DEL 0.06788611 RSCALE 3.30738000 DEL 0.05072788 RSCALE 3.33979938 DEL 0.03324207 RSCALE 3.37253655 DEL 0.01544166 RSCALE 3.40559460 DEL -0.00010147 RSCALE 3.43427209 DEL 0.00000028 RSCALE 3.43408488 DEL 0.00000000 RSCALE 3.43408538 CNORM= 1.00442E+00 0.0500 1.229E-07 X 0.1000 1.831E-06 X 0.1500 8.641E-06 X 0.2000 2.551E-05 X 0.2500 5.824E-05 X 0.3000 1.131E-04 X 0.3500 1.966E-04 X 0.4000 3.150E-04 X 0.4500 4.744E-04 X 0.5000 6.807E-04 X 0.5500 9.392E-04 X 0.6000 1.255E-03 X 0.6500 1.632E-03 X 0.7000 2.076E-03 X 0.7500 2.588E-03 X 0.8000 3.173E-03 IX 0.8500 3.833E-03 IX 0.9000 4.571E-03 IX 0.9500 5.387E-03 IX 1.0000 6.285E-03 IX 1.1000 8.326E-03 I X 1.2000 1.070E-02 I X 1.3000 1.341E-02 I X 1.4000 1.644E-02 I X 1.5000 1.980E-02 I X 1.6000 2.348E-02 I X 1.7000 2.746E-02 I X 1.8000 3.173E-02 I X 1.9000 3.627E-02 I X 2.0000 4.107E-02 I X 2.1000 4.612E-02 I X 2.2000 5.139E-02 I X 2.3000 5.687E-02 I X 2.4000 6.253E-02 I X 2.5000 6.835E-02 I X 2.6000 7.432E-02 I X 2.7000 8.041E-02 I X 2.8000 8.660E-02 I X 2.9000 9.287E-02 I X 3.0000 9.920E-02 I X 3.1000 1.056E-01 I X 3.2000 1.119E-01 I X 3.3000 1.183E-01 I X 3.4000 1.246E-01 I X 3.5000 1.309E-01 I X 3.6000 1.371E-01 I X 3.7000 1.432E-01 I X 3.8000 1.492E-01 I X 3.9000 1.551E-01 I X 4.0000 1.608E-01 I X 4.1000 1.663E-01 I X 4.2000 1.717E-01 I X 4.3000 1.768E-01 I X 4.4000 1.817E-01 I X 4.5000 1.863E-01 I X 4.6000 1.907E-01 I X 4.7000 1.948E-01 I X 4.8000 1.987E-01 I X 4.9000 2.022E-01 I X 5.0000 2.054E-01 I X 5.2000 2.108E-01 I X 5.4000 2.148E-01 I X 5.6000 2.174E-01 I X 5.8000 2.185E-01 I X 6.0000 2.182E-01 I X 6.2000 2.163E-01 I X 6.4000 2.130E-01 I X 6.6000 2.082E-01 I X 6.8000 2.020E-01 I X 7.0000 1.945E-01 I X 7.2000 1.857E-01 I X 7.4000 1.757E-01 I X 7.6000 1.646E-01 I X 7.8000 1.525E-01 I X 8.0000 1.394E-01 I X 8.2000 1.254E-01 I X 8.4000 1.108E-01 I X 8.6000 9.549E-02 I X 8.8000 7.965E-02 I X 9.0000 6.338E-02 I X 9.2000 4.676E-02 I X 9.4000 2.990E-02 I X 9.6000 1.289E-02 I X 9.8000 -4.183E-03 XI 10.0000 -2.124E-02 X I 10.2500 -4.241E-02 X I 10.5000 -6.328E-02 X I 10.7500 -8.372E-02 X I 11.0000 -1.036E-01 X I 11.2500 -1.228E-01 X I 11.5000 -1.413E-01 X I 11.7500 -1.589E-01 X I 12.0000 -1.756E-01 X I 12.2500 -1.914E-01 X I 12.5000 -2.062E-01 X I 12.7500 -2.199E-01 X I 13.0000 -2.325E-01 X I 13.2500 -2.441E-01 X I 13.5000 -2.545E-01 X I 13.7500 -2.639E-01 X I 14.0000 -2.722E-01 X I 14.2500 -2.795E-01 X I 14.5000 -2.857E-01 X I 14.7500 -2.909E-01 X I 15.0000 -2.952E-01 X I 15.5000 -3.008E-01 X I 16.0000 -3.030E-01 X I 16.5000 -3.022E-01 X I 17.0000 -2.986E-01 X I 17.5000 -2.926E-01 X I 18.0000 -2.846E-01 X I 18.5000 -2.750E-01 X I 19.0000 -2.641E-01 X I 19.5000 -2.522E-01 X I 20.0000 -2.396E-01 X I 20.5000 -2.266E-01 X I 21.0000 -2.132E-01 X I 21.5000 -1.998E-01 X I 22.0000 -1.865E-01 X I 22.5000 -1.735E-01 X I 23.0000 -1.608E-01 X I 23.5000 -1.485E-01 X I 24.0000 -1.368E-01 X I 24.5000 -1.256E-01 X I 25.0000 -1.150E-01 X I 25.5000 -1.050E-01 X I 26.0000 -9.568E-02 X I 26.5000 -8.695E-02 X I 27.0000 -7.883E-02 X I 27.5000 -7.131E-02 X I 28.0000 -6.438E-02 X I 28.5000 -5.800E-02 X I 29.0000 -5.216E-02 X I 29.5000 -4.681E-02 X I 30.0000 -4.194E-02 X I 31.0000 -3.350E-02 X I 32.0000 -2.659E-02 X I 33.0000 -2.098E-02 X I 34.0000 -1.646E-02 X I 35.0000 -1.285E-02 X I 36.0000 -9.985E-03 X I 37.0000 -7.723E-03 XI 38.0000 -5.948E-03 XI 39.0000 -4.563E-03 XI 40.0000 -3.487E-03 XI HF 0.0 0.0 0.0 0.0 H 6f 2s2 6f 184421.7 188197.2 -3898.0 HF 0.0 0.0 0.0 0.0 H 6f 2s2 6f 184421.7 188197.2 -3898.0 17 6.01 CONFIG=6f 2s2 L=3 ELIM= 200562.000 N= 6 E= 188197.200HF E= -0.11267635 Z=2.0000 L=3.0000 STEP=-.0500 NUM= 12400 NSAVE=12400 IRREG=0 IFITER=99 NNODES= 2 NUMR 12271 NUMS 12271 NUML 12341 RS 6.545 RL 3.000 DEL 0.24338143 RSCALE 3.00000000 DEL 0.25713566 RSCALE 2.97087905 DEL 0.24338837 RSCALE 3.00000000 DEL 0.22923574 RSCALE 3.02940640 DEL 0.21468139 RSCALE 3.05910105 DEL 0.19973033 RSCALE 3.08908677 DEL 0.18438843 RSCALE 3.11936641 DEL 0.16866252 RSCALE 3.14994286 DEL 0.15256039 RSCALE 3.18081902 DEL 0.13609085 RSCALE 3.21199783 DEL 0.11926377 RSCALE 3.24348227 DEL 0.10209005 RSCALE 3.27527532 DEL 0.08458160 RSCALE 3.30738000 DEL 0.06675137 RSCALE 3.33979938 DEL 0.04861325 RSCALE 3.37253655 DEL 0.03018206 RSCALE 3.40559460 DEL 0.01147352 RSCALE 3.43897670 DEL -0.00003908 RSCALE 3.45944917 DEL 0.00000004 RSCALE 3.45937967 DEL 0.00000000 RSCALE 3.45937975 CNORM= 1.00282E+00 0.0500 1.073E-07 X 0.1000 1.598E-06 X 0.1500 7.542E-06 X 0.2000 2.226E-05 X 0.2500 5.082E-05 X 0.3000 9.869E-05 X 0.3500 1.715E-04 X 0.4000 2.747E-04 X 0.4500 4.136E-04 X 0.5000 5.933E-04 X 0.5500 8.184E-04 X 0.6000 1.093E-03 X 0.6500 1.422E-03 X 0.7000 1.807E-03 X 0.7500 2.252E-03 X 0.8000 2.760E-03 IX 0.8500 3.333E-03 IX 0.9000 3.973E-03 IX 0.9500 4.680E-03 IX 1.0000 5.457E-03 IX 1.1000 7.221E-03 I X 1.2000 9.269E-03 I X 1.3000 1.160E-02 I X 1.4000 1.421E-02 I X 1.5000 1.709E-02 I X 1.6000 2.023E-02 I X 1.7000 2.362E-02 I X 1.8000 2.724E-02 I X 1.9000 3.109E-02 I X 2.0000 3.514E-02 I X 2.1000 3.937E-02 I X 2.2000 4.378E-02 I X 2.3000 4.833E-02 I X 2.4000 5.302E-02 I X 2.5000 5.781E-02 I X 2.6000 6.270E-02 I X 2.7000 6.765E-02 I X 2.8000 7.265E-02 I X 2.9000 7.768E-02 I X 3.0000 8.271E-02 I X 3.1000 8.773E-02 I X 3.2000 9.272E-02 I X 3.3000 9.765E-02 I X 3.4000 1.025E-01 I X 3.5000 1.073E-01 I X 3.6000 1.119E-01 I X 3.7000 1.164E-01 I X 3.8000 1.208E-01 I X 3.9000 1.249E-01 I X 4.0000 1.289E-01 I X 4.1000 1.327E-01 I X 4.2000 1.363E-01 I X 4.3000 1.396E-01 I X 4.4000 1.427E-01 I X 4.5000 1.455E-01 I X 4.6000 1.480E-01 I X 4.7000 1.502E-01 I X 4.8000 1.522E-01 I X 4.9000 1.538E-01 I X 5.0000 1.551E-01 I X 5.2000 1.568E-01 I X 5.4000 1.571E-01 I X 5.6000 1.561E-01 I X 5.8000 1.537E-01 I X 6.0000 1.499E-01 I X 6.2000 1.449E-01 I X 6.4000 1.385E-01 I X 6.6000 1.310E-01 I X 6.8000 1.223E-01 I X 7.0000 1.125E-01 I X 7.2000 1.018E-01 I X 7.4000 9.019E-02 I X 7.6000 7.785E-02 I X 7.8000 6.488E-02 I X 8.0000 5.138E-02 I X 8.2000 3.746E-02 I X 8.4000 2.325E-02 I X 8.6000 8.866E-03 I X 8.8000 -5.590E-03 XI 9.0000 -2.000E-02 X I 9.2000 -3.427E-02 X I 9.4000 -4.829E-02 X I 9.6000 -6.197E-02 X I 9.8000 -7.522E-02 X I 10.0000 -8.796E-02 X I 10.2500 -1.030E-01 X I 10.5000 -1.171E-01 X I 10.7500 -1.299E-01 X I 11.0000 -1.416E-01 X I 11.2500 -1.518E-01 X I 11.5000 -1.607E-01 X I 11.7500 -1.681E-01 X I 12.0000 -1.740E-01 X I 12.2500 -1.785E-01 X I 12.5000 -1.814E-01 X I 12.7500 -1.829E-01 X I 13.0000 -1.829E-01 X I 13.2500 -1.815E-01 X I 13.5000 -1.787E-01 X I 13.7500 -1.747E-01 X I 14.0000 -1.693E-01 X I 14.2500 -1.628E-01 X I 14.5000 -1.552E-01 X I 14.7500 -1.465E-01 X I 15.0000 -1.369E-01 X I 15.5000 -1.152E-01 X I 16.0000 -9.077E-02 X I 16.5000 -6.426E-02 X I 17.0000 -3.638E-02 X I 17.5000 -7.749E-03 X I 18.0000 2.103E-02 I X 18.5000 4.944E-02 I X 19.0000 7.700E-02 I X 19.5000 1.033E-01 I X 20.0000 1.281E-01 I X 20.5000 1.510E-01 I X 21.0000 1.719E-01 I X 21.5000 1.906E-01 I X 22.0000 2.071E-01 I X 22.5000 2.213E-01 I X 23.0000 2.332E-01 I X 23.5000 2.428E-01 I X 24.0000 2.503E-01 I X 24.5000 2.557E-01 I X 25.0000 2.592E-01 I X 25.5000 2.608E-01 I X 26.0000 2.607E-01 I X 26.5000 2.592E-01 I X 27.0000 2.562E-01 I X 27.5000 2.521E-01 I X 28.0000 2.468E-01 I X 28.5000 2.407E-01 I X 29.0000 2.337E-01 I X 29.5000 2.262E-01 I X 30.0000 2.181E-01 I X 31.0000 2.008E-01 I X 32.0000 1.828E-01 I X 33.0000 1.646E-01 I X 34.0000 1.468E-01 I X 35.0000 1.298E-01 I X 36.0000 1.139E-01 I X 37.0000 9.915E-02 I X 38.0000 8.575E-02 I X 39.0000 7.369E-02 I X 40.0000 6.296E-02 I X 41.0000 5.350E-02 I X 42.0000 4.522E-02 I X 43.0000 3.804E-02 I X 44.0000 3.186E-02 I X 45.0000 2.657E-02 I X 46.0000 2.206E-02 I X 47.0000 1.825E-02 I X 48.0000 1.505E-02 I X 49.0000 1.236E-02 I X 50.0000 1.012E-02 I X 52.0000 6.724E-03 IX 54.0000 4.416E-03 IX 56.0000 2.871E-03 IX HF 0.0 0.0 0.0 0.0 I 7f 2s2 7f 187672.3 191471.4 -3898.0 HF 0.0 0.0 0.0 0.0 I 7f 2s2 7f 187672.3 191471.4 -3898.0 18 6.01 CONFIG=7f 2s2 L=3 ELIM= 200562.000 N= 7 E= 191471.400HF E= -0.08283965 Z=2.0000 L=3.0000 STEP=-.0500 NUM= 14800 NSAVE=14800 IRREG=0 IFITER=99 NNODES= 3 NUMR 14671 NUMS 14671 NUML 14741 RS 6.545 RL 3.000 DEL 0.31324840 RSCALE 3.00000000 DEL 0.32833857 RSCALE 2.97087905 DEL 0.31325489 RSCALE 3.00000000 DEL 0.29774551 RSCALE 3.02940640 DEL 0.28181603 RSCALE 3.05910105 DEL 0.26547353 RSCALE 3.08908677 DEL 0.24872611 RSCALE 3.11936641 DEL 0.23158285 RSCALE 3.14994286 DEL 0.21405392 RSCALE 3.18081902 DEL 0.19615056 RSCALE 3.21199783 DEL 0.17788511 RSCALE 3.24348227 DEL 0.15927098 RSCALE 3.27527532 DEL 0.14032264 RSCALE 3.30738000 DEL 0.12105554 RSCALE 3.33979938 DEL 0.10148611 RSCALE 3.37253655 DEL 0.08163170 RSCALE 3.40559460 DEL 0.06151048 RSCALE 3.43897670 DEL 0.04114140 RSCALE 3.47268601 DEL 0.02054414 RSCALE 3.50672574 DEL -0.00000596 RSCALE 3.54067768 DEL 0.00000000 RSCALE 3.54066782 CNORM= 1.00214E+00 0.0500 9.558E-08 X 0.1000 1.423E-06 X 0.1500 6.715E-06 X 0.2000 1.981E-05 X 0.2500 4.523E-05 X 0.3000 8.781E-05 X 0.3500 1.525E-04 X 0.4000 2.442E-04 X 0.4500 3.676E-04 X 0.5000 5.271E-04 X 0.5500 7.267E-04 X 0.6000 9.703E-04 X 0.6500 1.261E-03 X 0.7000 1.602E-03 X 0.7500 1.996E-03 X 0.8000 2.444E-03 IX 0.8500 2.950E-03 IX 0.9000 3.513E-03 IX 0.9500 4.136E-03 IX 1.0000 4.819E-03 IX 1.1000 6.368E-03 I X 1.2000 8.162E-03 I X 1.3000 1.020E-02 I X 1.4000 1.247E-02 I X 1.5000 1.497E-02 I X 1.6000 1.769E-02 I X 1.7000 2.061E-02 I X 1.8000 2.373E-02 I X 1.9000 2.702E-02 I X 2.0000 3.048E-02 I X 2.1000 3.408E-02 I X 2.2000 3.781E-02 I X 2.3000 4.164E-02 I X 2.4000 4.557E-02 I X 2.5000 4.957E-02 I X 2.6000 5.362E-02 I X 2.7000 5.771E-02 I X 2.8000 6.181E-02 I X 2.9000 6.591E-02 I X 3.0000 6.999E-02 I X 3.1000 7.403E-02 I X 3.2000 7.800E-02 I X 3.3000 8.190E-02 I X 3.4000 8.570E-02 I X 3.5000 8.939E-02 I X 3.6000 9.295E-02 I X 3.7000 9.637E-02 I X 3.8000 9.962E-02 I X 3.9000 1.027E-01 I X 4.0000 1.056E-01 I X 4.1000 1.083E-01 I X 4.2000 1.107E-01 I X 4.3000 1.130E-01 I X 4.4000 1.150E-01 I X 4.5000 1.167E-01 I X 4.6000 1.182E-01 I X 4.7000 1.194E-01 I X 4.8000 1.204E-01 I X 4.9000 1.210E-01 I X 5.0000 1.214E-01 I X 5.2000 1.213E-01 I X 5.4000 1.200E-01 I X 5.6000 1.175E-01 I X 5.8000 1.138E-01 I X 6.0000 1.090E-01 I X 6.2000 1.032E-01 I X 6.4000 9.625E-02 I X 6.6000 8.838E-02 I X 6.8000 7.963E-02 I X 7.0000 7.010E-02 I X 7.2000 5.989E-02 I X 7.4000 4.910E-02 I X 7.6000 3.785E-02 I X 7.8000 2.623E-02 I X 8.0000 1.437E-02 I X 8.2000 2.384E-03 IX 8.4000 -9.628E-03 X I 8.6000 -2.155E-02 X I 8.8000 -3.329E-02 X I 9.0000 -4.474E-02 X I 9.2000 -5.581E-02 X I 9.4000 -6.641E-02 X I 9.6000 -7.646E-02 X I 9.8000 -8.588E-02 X I 10.0000 -9.462E-02 X I 10.2500 -1.045E-01 X I 10.5000 -1.131E-01 X I 10.7500 -1.204E-01 X I 11.0000 -1.263E-01 X I 11.2500 -1.307E-01 X I 11.5000 -1.337E-01 X I 11.7500 -1.352E-01 X I 12.0000 -1.353E-01 X I 12.2500 -1.340E-01 X I 12.5000 -1.314E-01 X I 12.7500 -1.274E-01 X I 13.0000 -1.221E-01 X I 13.2500 -1.157E-01 X I 13.5000 -1.082E-01 X I 13.7500 -9.967E-02 X I 14.0000 -9.026E-02 X I 14.2500 -8.006E-02 X I 14.5000 -6.915E-02 X I 14.7500 -5.767E-02 X I 15.0000 -4.570E-02 X I 15.5000 -2.075E-02 X I 16.0000 4.854E-03 IX 16.5000 3.032E-02 I X 17.0000 5.491E-02 I X 17.5000 7.799E-02 I X 18.0000 9.900E-02 I X 18.5000 1.175E-01 I X 19.0000 1.331E-01 I X 19.5000 1.456E-01 I X 20.0000 1.547E-01 I X 20.5000 1.605E-01 I X 21.0000 1.630E-01 I X 21.5000 1.622E-01 I X 22.0000 1.582E-01 I X 22.5000 1.514E-01 I X 23.0000 1.418E-01 I X 23.5000 1.298E-01 I X 24.0000 1.157E-01 I X 24.5000 9.976E-02 I X 25.0000 8.231E-02 I X 25.5000 6.367E-02 I X 26.0000 4.414E-02 I X 26.5000 2.403E-02 I X 27.0000 3.604E-03 IX 27.5000 -1.687E-02 X I 28.0000 -3.714E-02 X I 28.5000 -5.700E-02 X I 29.0000 -7.625E-02 X I 29.5000 -9.473E-02 X I 30.0000 -1.123E-01 X I 31.0000 -1.442E-01 X I 32.0000 -1.712E-01 X I 33.0000 -1.931E-01 X I 34.0000 -2.097E-01 X I 35.0000 -2.212E-01 X I 36.0000 -2.279E-01 X I 37.0000 -2.303E-01 X I 38.0000 -2.289E-01 X I 39.0000 -2.243E-01 X I 40.0000 -2.170E-01 X I 41.0000 -2.076E-01 X I 42.0000 -1.966E-01 X I 43.0000 -1.846E-01 X I 44.0000 -1.718E-01 X I 45.0000 -1.587E-01 X I 46.0000 -1.456E-01 X I 47.0000 -1.327E-01 X I 48.0000 -1.203E-01 X I 49.0000 -1.083E-01 X I 50.0000 -9.710E-02 X I 52.0000 -7.688E-02 X I 54.0000 -5.982E-02 X I 56.0000 -4.582E-02 X I 58.0000 -3.461E-02 X I 60.0000 -2.581E-02 X I 62.0000 -1.902E-02 X I 64.0000 -1.387E-02 X I 66.0000 -1.002E-02 X I 68.0000 -7.169E-03 X I 70.0000 -5.087E-03 XI 72.0000 -3.582E-03 XI 74.0000 -2.504E-03 XI HF 0.0 0.0 0.0 0.0 J 8f 2s2 8f 189783.6 193594.1 -3898.0 HF 0.0 0.0 0.0 0.0 J 8f 2s2 8f 189783.6 193594.1 -3898.0 19 6.01 CONFIG=8f 2s2 L=3 ELIM= 200562.000 N= 8 E= 193594.100HF E= -0.06349618 Z=2.0000 L=3.0000 STEP=-.0500 NUM= 17200 NSAVE=17200 IRREG=0 IFITER=99 NNODES= 4 NUMR 17071 NUMS 17071 NUML 17141 RS 6.545 RL 3.000 DEL 0.42834111 RSCALE 3.00000000 DEL 0.44546686 RSCALE 2.97087905 DEL 0.42834749 RSCALE 3.00000000 DEL 0.41076516 RSCALE 3.02940640 DEL 0.39272817 RSCALE 3.05910105 DEL 0.37424652 RSCALE 3.08908677 DEL 0.35533134 RSCALE 3.11936641 DEL 0.33599489 RSCALE 3.14994286 DEL 0.31625063 RSCALE 3.18081902 DEL 0.29611320 RSCALE 3.21199783 DEL 0.27559840 RSCALE 3.24348227 DEL 0.25472319 RSCALE 3.27527532 DEL 0.23350562 RSCALE 3.30738000 DEL 0.21196473 RSCALE 3.33979938 DEL 0.19012058 RSCALE 3.37253655 DEL 0.16799408 RSCALE 3.40559460 DEL 0.14560695 RSCALE 3.43897670 DEL 0.12298164 RSCALE 3.47268601 DEL 0.10014124 RSCALE 3.50672574 DEL 0.07710935 RSCALE 3.54109914 DEL 0.05391004 RSCALE 3.57580946 DEL 0.03056772 RSCALE 3.61086003 DEL 0.00710703 RSCALE 3.64625416 DEL 0.00002547 RSCALE 3.65697623 DEL 0.00000002 RSCALE 3.65701479 DEL 0.00000000 RSCALE 3.65701482 CNORM= 1.00180E+00 0.0500 8.735E-08 X 0.1000 1.300E-06 X 0.1500 6.135E-06 X 0.2000 1.810E-05 X 0.2500 4.130E-05 X 0.3000 8.016E-05 X 0.3500 1.392E-04 X 0.4000 2.227E-04 X 0.4500 3.351E-04 X 0.5000 4.802E-04 X 0.5500 6.618E-04 X 0.6000 8.831E-04 X 0.6500 1.147E-03 X 0.7000 1.456E-03 X 0.7500 1.813E-03 X 0.8000 2.219E-03 IX 0.8500 2.675E-03 IX 0.9000 3.184E-03 IX 0.9500 3.746E-03 IX 1.0000 4.361E-03 IX 1.1000 5.752E-03 I X 1.2000 7.359E-03 I X 1.3000 9.177E-03 I X 1.4000 1.120E-02 I X 1.5000 1.342E-02 I X 1.6000 1.582E-02 I X 1.7000 1.840E-02 I X 1.8000 2.114E-02 I X 1.9000 2.402E-02 I X 2.0000 2.703E-02 I X 2.1000 3.015E-02 I X 2.2000 3.337E-02 I X 2.3000 3.667E-02 I X 2.4000 4.003E-02 I X 2.5000 4.343E-02 I X 2.6000 4.686E-02 I X 2.7000 5.030E-02 I X 2.8000 5.374E-02 I X 2.9000 5.715E-02 I X 3.0000 6.052E-02 I X 3.1000 6.383E-02 I X 3.2000 6.707E-02 I X 3.3000 7.022E-02 I X 3.4000 7.327E-02 I X 3.5000 7.619E-02 I X 3.6000 7.899E-02 I X 3.7000 8.163E-02 I X 3.8000 8.412E-02 I X 3.9000 8.644E-02 I X 4.0000 8.857E-02 I X 4.1000 9.051E-02 I X 4.2000 9.224E-02 I X 4.3000 9.377E-02 I X 4.4000 9.507E-02 I X 4.5000 9.614E-02 I X 4.6000 9.697E-02 I X 4.7000 9.757E-02 I X 4.8000 9.792E-02 I X 4.9000 9.802E-02 I X 5.0000 9.786E-02 I X 5.2000 9.679E-02 I X 5.4000 9.470E-02 I X 5.6000 9.161E-02 I X 5.8000 8.753E-02 I X 6.0000 8.251E-02 I X 6.2000 7.660E-02 I X 6.4000 6.986E-02 I X 6.6000 6.237E-02 I X 6.8000 5.422E-02 I X 7.0000 4.550E-02 I X 7.2000 3.629E-02 I X 7.4000 2.671E-02 I X 7.6000 1.685E-02 I X 7.8000 6.821E-03 I X 8.0000 -3.278E-03 XI 8.2000 -1.334E-02 X I 8.4000 -2.328E-02 X I 8.6000 -3.299E-02 X I 8.8000 -4.239E-02 X I 9.0000 -5.138E-02 X I 9.2000 -5.990E-02 X I 9.4000 -6.786E-02 X I 9.6000 -7.522E-02 X I 9.8000 -8.190E-02 X I 10.0000 -8.787E-02 X I 10.2500 -9.425E-02 X I 10.5000 -9.938E-02 X I 10.7500 -1.032E-01 X I 11.0000 -1.057E-01 X I 11.2500 -1.069E-01 X I 11.5000 -1.068E-01 X I 11.7500 -1.054E-01 X I 12.0000 -1.027E-01 X I 12.2500 -9.886E-02 X I 12.5000 -9.387E-02 X I 12.7500 -8.782E-02 X I 13.0000 -8.081E-02 X I 13.2500 -7.292E-02 X I 13.5000 -6.426E-02 X I 13.7500 -5.492E-02 X I 14.0000 -4.503E-02 X I 14.2500 -3.468E-02 X I 14.5000 -2.399E-02 X I 14.7500 -1.306E-02 X I 15.0000 -2.014E-03 XI 15.5000 2.004E-02 I X 16.0000 4.138E-02 I X 16.5000 6.128E-02 I X 17.0000 7.912E-02 I X 17.5000 9.440E-02 I X 18.0000 1.067E-01 I X 18.5000 1.158E-01 I X 19.0000 1.215E-01 I X 19.5000 1.237E-01 I X 20.0000 1.225E-01 I X 20.5000 1.181E-01 I X 21.0000 1.107E-01 I X 21.5000 1.005E-01 I X 22.0000 8.782E-02 I X 22.5000 7.313E-02 I X 23.0000 5.679E-02 I X 23.5000 3.920E-02 I X 24.0000 2.078E-02 I X 24.5000 1.934E-03 IX 25.0000 -1.696E-02 X I 25.5000 -3.552E-02 X I 26.0000 -5.342E-02 X I 26.5000 -7.036E-02 X I 27.0000 -8.606E-02 X I 27.5000 -1.003E-01 X I 28.0000 -1.129E-01 X I 28.5000 -1.237E-01 X I 29.0000 -1.325E-01 X I 29.5000 -1.394E-01 X I 30.0000 -1.442E-01 X I 31.0000 -1.478E-01 X I 32.0000 -1.436E-01 X I 33.0000 -1.323E-01 X I 34.0000 -1.148E-01 X I 35.0000 -9.230E-02 X I 36.0000 -6.600E-02 X I 37.0000 -3.717E-02 X I 38.0000 -6.996E-03 X I 39.0000 2.342E-02 I X 40.0000 5.313E-02 I X 41.0000 8.130E-02 I X 42.0000 1.073E-01 I X 43.0000 1.306E-01 I X 44.0000 1.510E-01 I X 45.0000 1.681E-01 I X 46.0000 1.820E-01 I X 47.0000 1.927E-01 I X 48.0000 2.002E-01 I X 49.0000 2.048E-01 I X 50.0000 2.067E-01 I X 52.0000 2.036E-01 I X 54.0000 1.932E-01 I X 56.0000 1.777E-01 I X 58.0000 1.593E-01 I X 60.0000 1.397E-01 I X 62.0000 1.201E-01 I X 64.0000 1.015E-01 I X 66.0000 8.447E-02 I X 68.0000 6.933E-02 I X 70.0000 5.619E-02 I X 72.0000 4.502E-02 I X 74.0000 3.569E-02 I X 76.0000 2.802E-02 I X 78.0000 2.181E-02 I X 80.0000 1.683E-02 I X 82.0000 1.289E-02 I X 84.0000 9.795E-03 I X 86.0000 7.395E-03 I X 88.0000 5.548E-03 IX 90.0000 4.137E-03 IX 92.0000 3.068E-03 IX 94.0000 2.262E-03 IX HF 0.0 0.0 0.0 0.0 K 9f 2s2 9f 191229.3 195047.8 -3898.0 HF 0.0 0.0 0.0 0.0 K 9f 2s2 9f 191229.3 195047.8 -3898.0 20 6.01 CONFIG=9f 2s2 L=3 ELIM= 200562.000 N= 9 E= 195047.800HF E= -0.05024909 Z=2.0000 L=3.0000 STEP=-.0500 NUM= 19700 NSAVE=19700 IRREG=0 IFITER=99 NNODES= 5 NUMR 19571 NUMS 19571 NUML 19641 RS 6.545 RL 3.000 DEL 0.60276925 RSCALE 3.00000000 DEL 0.62301591 RSCALE 2.97087905 DEL 0.60277588 RSCALE 3.00000000 DEL 0.58201476 RSCALE 3.02940640 DEL 0.56074516 RSCALE 3.05910105 DEL 0.53898162 RSCALE 3.08908677 DEL 0.51674003 RSCALE 3.11936641 DEL 0.49403763 RSCALE 3.14994286 DEL 0.47089297 RSCALE 3.18081902 DEL 0.44732593 RSCALE 3.21199783 DEL 0.42335768 RSCALE 3.24348227 DEL 0.39901061 RSCALE 3.27527532 DEL 0.37430822 RSCALE 3.30738000 DEL 0.34927509 RSCALE 3.33979938 DEL 0.32393672 RSCALE 3.37253655 DEL 0.29831948 RSCALE 3.40559460 DEL 0.27245043 RSCALE 3.43897670 DEL 0.24635729 RSCALE 3.47268601 DEL 0.22006824 RSCALE 3.50672574 DEL 0.19361186 RSCALE 3.54109914 DEL 0.16701698 RSCALE 3.57580946 DEL 0.14031257 RSCALE 3.61086003 DEL 0.11352760 RSCALE 3.64625416 DEL 0.08669098 RSCALE 3.68199523 DEL 0.05983140 RSCALE 3.71808664 DEL 0.03297725 RSCALE 3.75453183 DEL 0.00615647 RSCALE 3.79133425 DEL 0.00004429 RSCALE 3.79978193 DEL 0.00000006 RSCALE 3.79984314 DEL 0.00000000 RSCALE 3.79984323 CNORM= 1.00162E+00 0.0500 8.184E-08 X 0.1000 1.218E-06 X 0.1500 5.746E-06 X 0.2000 1.695E-05 X 0.2500 3.866E-05 X 0.3000 7.500E-05 X 0.3500 1.301E-04 X 0.4000 2.082E-04 X 0.4500 3.131E-04 X 0.5000 4.484E-04 X 0.5500 6.175E-04 X 0.6000 8.235E-04 X 0.6500 1.069E-03 X 0.7000 1.356E-03 X 0.7500 1.687E-03 X 0.8000 2.063E-03 IX 0.8500 2.485E-03 IX 0.9000 2.955E-03 IX 0.9500 3.473E-03 IX 1.0000 4.040E-03 IX 1.1000 5.320E-03 I X 1.2000 6.792E-03 I X 1.3000 8.452E-03 I X 1.4000 1.029E-02 I X 1.5000 1.231E-02 I X 1.6000 1.448E-02 I X 1.7000 1.680E-02 I X 1.8000 1.925E-02 I X 1.9000 2.182E-02 I X 2.0000 2.450E-02 I X 2.1000 2.726E-02 I X 2.2000 3.010E-02 I X 2.3000 3.299E-02 I X 2.4000 3.592E-02 I X 2.5000 3.887E-02 I X 2.6000 4.183E-02 I X 2.7000 4.478E-02 I X 2.8000 4.771E-02 I X 2.9000 5.060E-02 I X 3.0000 5.343E-02 I X 3.1000 5.620E-02 I X 3.2000 5.888E-02 I X 3.3000 6.146E-02 I X 3.4000 6.394E-02 I X 3.5000 6.630E-02 I X 3.6000 6.852E-02 I X 3.7000 7.059E-02 I X 3.8000 7.252E-02 I X 3.9000 7.427E-02 I X 4.0000 7.586E-02 I X 4.1000 7.726E-02 I X 4.2000 7.847E-02 I X 4.3000 7.948E-02 I X 4.4000 8.029E-02 I X 4.5000 8.089E-02 I X 4.6000 8.128E-02 I X 4.7000 8.146E-02 I X 4.8000 8.141E-02 I X 4.9000 8.115E-02 I X 5.0000 8.066E-02 I X 5.2000 7.902E-02 I X 5.4000 7.650E-02 I X 5.6000 7.313E-02 I X 5.8000 6.893E-02 I X 6.0000 6.395E-02 I X 6.2000 5.824E-02 I X 6.4000 5.188E-02 I X 6.6000 4.494E-02 I X 6.8000 3.749E-02 I X 7.0000 2.962E-02 I X 7.2000 2.143E-02 I X 7.4000 1.300E-02 I X 7.6000 4.433E-03 IX 7.8000 -4.184E-03 XI 8.0000 -1.276E-02 X I 8.2000 -2.119E-02 X I 8.4000 -2.941E-02 X I 8.6000 -3.733E-02 X I 8.8000 -4.487E-02 X I 9.0000 -5.197E-02