$ SET NOVERIFY %DCL-I-SUPERSEDE, previous value of POOLKU2A has been superseded %DCL-W-UNDSYM, undefined symbol - check validity and spelling %DCL-W-PARMDEL, invalid parameter delimiter - check use of special characters \$\ $ IF "BATCH"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 $SET4700 $ASSIGN W4700.dat FOR007 $RUN CRAY:WAVEF 99 1.5 5. .5 99 1.500 5.000 0.500 0.000 47.00 2.45326695396802E-01 1.43827512850724E+01 .0002377055.0002587570.0002798341.0003009375.0003220677.0003432253.0003644111 .0003856254.0004068689.0004281422.0004494458.0004707802.0004921460.0005135438 .0005349740.0005564372.0005779339.0005994646.0006210299.0006426302.0006642661 .0006859381.0007076466.0007293922.0007511753.0007729965.0007948562.0008167550 .0008386933.0008606717.0008826905.0009047503.0009268515.0009489948.0009711804 .0009934089.0010156808.0010379966.0010603567.0010827616.0011052118.0011277077 .0011502499.0011728387.0011954748.0012181585.0012408902.0012636706.0012865000 .0013093790.0013323079.0013552873.0013783176.0014013994.0014245330.0014477189 .0014709577.0014942497.0015175955.0015409955.0015644502.0015879600.0016115255 .0016351471.0016588253.0016825605.0017063533.0017302040.0017541132.0017780814 .0018021089.0018261964.0018503442.0018745528.0018988228.0019231546.0019475486 .0019720054.0019965255.0020211092.0020457572.0020704698.0020952476.0021200910 .0021450005.0021699767.0021950200.0022201309.0022453098.0022705573.0022958739 .0023212600.0023467161.0023722428.0023978405.0024235098.0024492510.0024750648 .0025009516.0025269120.0025529463.0025790552.0026052391.0026314986.0026578341 .0026842461.0027107353.0027373019.0027639467.0027906701.0028174726.0028443547 .0028713169.0028983599.0029254840.0029526899.0029799779.0030073488.0030348029 .0030623409.0030899632.0031176703.0031454629.0031733415.0032013065.0032293586 .0032574982.0032857260.0033140424.0033424480.0033709434.0033995290.0034282055 .0034569734.0034858333.0035147857.0035438311.0035729702.0036022035.0036315316 .0036609549.0036904742.0037200900.0037498028.0037796132.0038095218.0038395291 .0038696359.0038998425.0039301497.0039605580.0039910680.0040216803.0040523955 .0040832141.0041141369.0041451643.0041762970.0042075356.0042388807.0042703329 .0043018929.0043335612.0043653384.0043972252.0044292222.0044613301.0044935494 .0045258808.0045583249.0045908823.0046235538.0046563398.0046892412.0047222585 .0047553923.0047886434.0048220123.0048554997.0048891064.0049228329.0049566799 .0049906481.0050247382.0050589508.0050932866.0051277463.0051623306.0051970401 .0052318756.0052668377.0053019271.0053371446.0053724907.0054079664.0054435721 .0054793087.0055151769.0055511774.0055873108.0056235780.0056599796.0056965164 .0057331891.0057699985.0058069452.0058440301.0058812539.0059186172.0059561210 .0059937659.0060315527.0060694822.0061075550.0061457721.0061841342.0062226420 .0062612964.0063000981.0063390479.0063781465.0064173949.0064567939.0064963441 .0065360464.0065759017.0066159107.0066560742.0066963932.0067368684.0067775007 .0068182908.0068592397.0069003481.0069416170.0069830471.0070246394.0070663947 .0071083139.0071503978.0071926473.0072350633.0072776467.0073203983.0073633191 .0074064099.0074496717.0074931054.0075367118.0075804920.0076244467.0076685770 .0077128837.0077573678.0078020303.0078468720.0078918940.0079370972.0079824825 .0080280509.0080738034.0081197410.0081658646.0082121752.0082586738.0083053614 .0083522390.0083993076.0084465683.0084940219.0085416697.0085895125.0086375514 .0086857875.0087342217.0087828553.0088316891.0088807243.0089299619.0089794030 .0090290487.0090789001.0091289582.0091792241.0092296990.0092803840.0093312801 .0093823885.0094337104.0094852468.0095369988.0095889677.0096411546.0096935607 .0097461870.0097990348.0098521053.0099053996.0099589189.0100126644.0100666374 .0101208390.0101752705.0102299330.0102848279.0103399563.0103953195.0104509187 .0105067553.0105628304.0106191454.0106757014.0107324999.0107895421.0108468294 .0109043629.0109621441.0110201742.0110784547.0111369867.0111957718.0112548112 .0113141064.0113736586.0114334693.0114935398.0115538716.0116144661.0116753246 .0117364486.0117978395.0118594988.0119214279.0119836282.0120461013.0121088486 .0121718716.0122351717.0122987505.0123626095.0124267502.0124911741.0125558828 .0126208778.0126861606.0127517328.0128175961.0128837519.0129502019.0130169477 .0130839909.0131513330.0132189758.0132869209.0133551699.0134237245.0134925864 .0135617572.0136312387.0137010324.0137711403.0138415639.0139123050.0139833654 .0140547468.0141264510.0141984797.0142708348.0143435180.0144165312.0144898762 .0145635548.0146375688.0147119202.0147866108.0148616424.0149370170.0150127364 .0150888026.0151652176.0152419832.0153191014.0153965742.0154744035.0155525914 .0156311398.0157100508.0157893263.0158689685.0159489794.0160293611.0161101156 .0161912451.0162727515.0163546372.0164369042.0165195546.0166025907.0166860145 .0167698284.0168540345.0169386350.0170236321.0171090282.0171948255.0172810262 .0173676326.0174546472.0175420721.0176299098.0177181626.0178068328.0178959229 .0179854353.0180753724.0181657365.0182565303.0183477561.0184394164.0185315137 .0186240506.0187170296.0188104533.0189043241.0189986448.0190934179.0191886460 .0192843318.0193804779.0194770871.0195741619.0196717052.0197697196.0198682080 .0199671730.0200666175.0201665443.0202669562.0203678560.0204692467.0205711311 .0206735121.0207763926.0208797757.0209836642.0210880612.0211929696.0212983926 .0214043330.0215107941.0216177790.0217252906.0218333323.0219419070.0220510181 .0221606687.0222708621.0223816015.0224928902.0226047314.0227171286.0228300850 .0229436040.0230576890.0231723435.0232875709.0234033745.0235197581.0236367249 .0237542787.0238724229.0239911612.0241104972.0242304345.0243509767.0244721277 .0245938911.0247162707.0248392703.0249628936.0250871445.0252120269.0253375447 .0254637018.0255905021.0257179497.0258460484.0259748025.0261042159.0262342928 .0263650372.0264964534.0266285455.0267613177.0268947744.0270289198.0271637583 .0272992941.0274355316.0275724754.0277101297.0278484993.0279875884.0281274018 .0282679439.0284092194.0285512331.0286939894.0288374933.0289817495.0291267627 .0292725378.0294190798.0295663934.0297144837.0298633556.0300130142.0301634646 .0303147118.0304667611.0306196176.0307732865.0309277730.0310830827.0312392206 .0313961924.0315540033.0317126590.0318721649.0320325265.0321937495.0323558396 .0325188025.0326826438.0328473695.0330129852.0331794970.0333469108.0335152325 .0336844682.0338546239.0340257058.0341977200.0343706729.0345445706.0347194194 .0348952258.0350719963.0352497372.0354284551.0356081566.0357888484.0359705371 .0361532296.0363369325.0365216529.0367073975.0368941734.0370819877.0372708474 .0374607596.0376517316.0378437708.0380368843.0382310796.0384263642.0386227455 .0388202312.0390188290.0392185465.0394193915.0396213719.0398244955.0400287704 .0402342046.0404408062.0406485834.0408575445.0410676977.0412790516.0414916145 .0417053950.0419204017.0421366434.0423541287.0425728665.0427928658.0430141355 .0432366847.0434605226.0436856585.0439121015.0441398612.0443689469.0445993684 .0448311352.0450642570.0452987437.0455346052.0457718515.0460104927.0462505390 .0464920005.0467348877.0469792111.0472249812.0474722085.0477209040.0479710783 .0482227425.0484759075.0487305845.0489867848.0492445196.0495038005.0497646389 .0500270465.0502910351.0505566165.0508238027.0510926058.0513630380.0516351117 .0519088392.0521842330.0524613059.0527400707.0530205401.0533027273.0535866454 .0538723076.0541597274.0544489183.0547398938.0550326679.0553272543.0556236672 .0559219207.0562220291.0565240068.0568278686.0571336290.0574413029.0577509054 .0580624516.0583759569.0586914366.0590089064.0593283821.0596498795.0599734147 .0602990040.0606266637.0609564103.0612882607.0616222316.0619583401.0622966035 .0626370390.0629796643.0633244971.0636715553.0640208570.0643724205.0647262642 .0650824067.0654408670.0658016640.0661648170.0665303453.0668982686.0672686067 .0676413796.0680166075.0683943109.0687745104.0691572269.0695424814.0699302952 .0703206899.0707136871.0711093089.0715075775.0719085151.0723121447.0727184889 .0731275711.0735394145.0739540429.0743714801.0747917502.0752148777.0756408872 .0760698037.0765016524.0769364587.0773742484.0778150475.0782588824.0787057795 .0791557660.0796088688.0800651155.0805245338.0809871520.0814529982.0819221014 .0823944905.0828701948.0833492440.0838316683.0843174978.0848067634.0852994960 .0857957270.0862954882.0867988117.0873057300.0878162758.0883304824.0888483835 .0893700129.0898954051.0904245948.0909576172.0914945078.0920353027.0925800383 .0931287514.0936814792.0942382596.0947991306.0953641308.0959332993.0965066756 .0970842996.0976662120.0982524536.0988430658.0994380906.1000375705.1006415483 .1012500676.1018631724.1024809073.1031033172.1037304479.1043623455.1049990568 .1056406292.1062871105.1069385494.1075949949.1082564968.1089231054.1095948718 .1102718475.1109540849.1116416369.1123345572.1130329000.1137367203.1144460739 .1151610171.1158816071.1166079018.1173399599.1180778406.1188216041.1195713115 .1203270245.1210888055.1218567181.1226308264.1234111955.1241978913.1249909806 .1257905312.1265966117.1274092916.1282286414.1290547325.1298876373.1307274292 .1315741827.1324279730.1332888768.1341569713.1350323354.1359150485.1368051915 .1377028464.1386080960.1395210247.1404417179.1413702621.1423067453.1432512565 .1442038861.1451647258.1461338684.1471114085.1480974416.1490920649.1500953769 .1511074774.1521284679.1531584513.1541975321.1552458162.1563034111.1573704260 .1584469718.1595331609.1606291074.1617349272.1628507381.1639766593.1651128124 .1662593203.1674163081.1685839029.1697622336.1709514311.1721516285.1733629610 .1745855657.1758195821.1770651518.1783224189.1795915294.1808726320.1821658776 .1834714196.1847894141.1861200194.1874633967.1888197096.1901891247.1915718111 .1929679409.1943776889.1958012332.1972387545.1986904368.2001564671.2016370358 .2031323364.2046425659.2061679245.2077086160.2092648478.2108368310.2124247803 .2140289143.2156494553.2172866299.2189406686.2206118060.2223002810.2240063371 .2257302218.2274721875.2292324913.2310113949.2328091648.2346260729.2364623958 .2383184157.2401944199.2420907013.2440075586.2459452960.2479042238.2498846583 .2518869222.2539113442.2559582599.2580280115.2601209479.2622374253.2643778071 .2665424638.2687317740.2709461238.2731859073.2754515272.2777433941.2800619278 .2824075568.2847807188.2871818609.2896114399.2920699225.2945577858.2970755174 .2996236155.3022025898.3048129611.3074552623.3101300383.3128378466.3155792574 .3183548545.3211652350.3240110104.3268928065.3298112643.3327670402.3357608063 .3387932515.3418650815.3449770196.3481298071.3513242041.3545609901.3578409643 .3611649470.3645337794.3679483251.3714094706.3749181259.3784752256.3820817298 .3857386249.3894469246.3932076708.3970219349.4008908190.4048154564.4087970137 .4128366916.4169357262.4210953907.4253169968.4296018961.4339514822.4383671919 .4428505076.4474029588.4520261246.4567216355.4614911760.4663364872.4712593687 .4762616824.4813453546.4865123796.4917648231.4971048253.5025346052.5080564645 .5136727920.5193860681.5251988699.5311138770.5371338766.5432617702.5495005803 .5558534574.5623236884.5689147048.5756300921.5824735998.5894491528.5965608634 .6038130444.6112102238.6187571610.6264588648.6343206123.6423479721.6505468276 .6589234053.6674843053.6762365360.6851875541.6943453093.7037182962.7133156135 .7231470334.7332230821.7435551346.7541555273.7650376929.7762163232.7877075687 .7995292860.8117013485.8242460454.8371886007.8505578677.8643872823.8787162173 .8935919853.9090729661.9252338392.9421752313.9600443112.9790915117 47.00 0.24532669539680E+00 0.14382751285072E+02 RZERO=0.35284728434809E+01 61107. 56099. = Eav d10 4s -Eav d10 61107.000 56099.000 d10 1 2982.6 0.0 0. 0 d10 1 2982.6 0.0 0. d9 5d 2 129419.8 120555.9 0. 0 d9 5d 2 129419.8 120555.9 0. d8 5s5d 7 199475.9 191475.9 FIXEDHF 8000. HF 0 d8 5s5d 7 199475.9 191475.9 FIXEDHF 8000. HF d9 5s D 44182.8 38684.1 8000. 0 d9 5s D 44182.8 38684.1 8000. d8s2 I 109617.2 103087.7 8000. 0 d8s2 I 109617.2 103087.7 8000. d8 5p2 g 201538.1 193538.1 FIXEDHF 8000. HF 0 d8 5p2 g 201538.1 193538.1 FIXEDHF 8000. HF d9 5p 1 86899.0 79688.0 8000. 0 d9 5p 1 86899.0 79688.0 8000. d8 5s5p 6 151607.9 141154.9 10400. 0 d8 5s5p 6 151607.9 141154.9 10400. d7s2 5p B 237343.8 229343.8 FIXEDHF 8000. HF 0 d7s2 5p B 237343.8 229343.8 FIXEDHF 8000. HF d9 4f C 146702.3 138702.3 FIXEDHF 8000. HF 0 d9 4f C 146702.3 138702.3 FIXEDHF 8000. HF d8 5s4f I 219337.6 211337.6 FIXEDHF 8000. HF 0 d8 5s4f I 219337.6 211337.6 FIXEDHF 8000. HF d7s2 4f O 319328.5 311328.5 FIXEDHF 8000. HF 0 d7s2 4f O 319328.5 311328.5 FIXEDHF 8000. HF 0 0.0 0.0 4d d9 5s d10 5s 1 1527.8 0.0 0. 4d d9 5s d10 5s 1 1527.8 0.0 0. 0.000 0.000 0.000 0.000 1 47.00 CONFIG=d10 5s d9 5s L=2 ELIM= 105289.800 N= 4 E= 1527.800 E= -0.94554897 Z=1.0000 L=2.0000 STEP=-.1000 NUM= 1900 NSAVE= 1900 IRREG=0 IFITER=99 NNODES= 1 NUMR 1725 NUMS 1725 NUML 1886 RS 17.642 RL 1.500 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 RMAX 1.33273057 RMIN -1.00000000 RSCALE 1.29391318 RMAX 1.29391318 RMIN -1.00000000 RSCALE 1.25622639 RMAX 1.25622639 RMIN -1.00000000 RSCALE 1.21963727 RMAX 1.21963727 RMIN -1.00000000 RSCALE 1.18411385 DEL 12.85864302 RSCALE 1.18411385 DEL 6.95656700 RSCALE 1.17261968 DEL 4.17906038 RSCALE 1.16123707 DEL 2.57522477 RSCALE 1.14996496 DEL 1.53730769 RSCALE 1.13880227 DEL 0.81468556 RSCALE 1.12774794 DEL 0.28523334 RSCALE 1.11680090 DEL 0.05380619 RSCALE 1.11090338 DEL 0.00435461 RSCALE 1.10953222 DEL 0.00007253 RSCALE 1.10941148 DEL 0.00000010 RSCALE 1.10940943 DEL 0.00000000 RSCALE 1.10940943 CNORM= 1.83181E+00 0.1000 2.258E-01 I X 0.2000 4.594E-01 I X 0.3000 3.503E-01 I X 0.4000 5.138E-02 I X 0.5000 -2.726E-01 X I 0.6000 -5.417E-01 X I 0.7000 -7.335E-01 X I 0.8000 -8.527E-01 X I 0.9000 -9.134E-01 X I 1.0000 -9.308E-01 X I 1.1000 -9.179E-01 X I 1.2000 -8.851E-01 X I 1.3000 -8.399E-01 X I 1.4000 -7.880E-01 X I 1.5000 -7.332E-01 X I 1.6000 -6.779E-01 X I 1.7000 -6.240E-01 X I 1.8000 -5.724E-01 X I 1.9000 -5.238E-01 X I 2.0000 -4.785E-01 X I 2.2000 -3.979E-01 X I 2.4000 -3.301E-01 X I 2.6000 -2.738E-01 X I 2.8000 -2.271E-01 X I 3.0000 -1.886E-01 X I 3.2000 -1.569E-01 X I 3.4000 -1.306E-01 X I 3.6000 -1.089E-01 X I 3.8000 -9.095E-02 X I 4.0000 -7.602E-02 X I 4.2000 -6.358E-02 X I 4.4000 -5.322E-02 X I 4.6000 -4.456E-02 X I 4.8000 -3.733E-02 X I 5.0000 -3.128E-02 X I 5.2000 -2.621E-02 X I 5.4000 -2.196E-02 XI 5.6000 -1.841E-02 XI 5.8000 -1.543E-02 XI 6.0000 -1.293E-02 XI 6.2000 -1.083E-02 XI 5s d10 d10 5s 1 1527.8 0.0 0. 5s d10 d10 5s 1 1527.8 0.0 0. 0.000 0.000 0.000 0.000 1 47.00 CONFIG=d10 5s d10 L=0 ELIM= 64089.600 N= 5 E= 1527.800 E= -0.57010510 Z=1.0000 L=0.0000 STEP=-.1000 NUM= 2500 NSAVE= 2500 IRREG=0 IFITER=99 NNODES= 4 NUMR 2325 NUMS 2325 NUML 2499 RS 17.642 RL 0.250 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 RMAX 1.33273057 RMIN -1.00000000 RSCALE 1.29391318 RMAX 1.29391318 RMIN -1.00000000 RSCALE 1.25622639 DEL -0.89044408 RSCALE 1.25622639 DEL -0.96779718 RSCALE 1.26854008 DEL -0.89157780 RSCALE 1.25622639 DEL -0.81179888 RSCALE 1.24403221 DEL -0.73126571 RSCALE 1.23195641 DEL -0.64822947 RSCALE 1.21999783 DEL -0.56203904 RSCALE 1.20815533 DEL -0.47446059 RSCALE 1.19642778 DEL -0.37999658 RSCALE 1.18481408 DEL -0.27708828 RSCALE 1.17331311 DEL -0.17034849 RSCALE 1.16192377 DEL -0.05590325 RSCALE 1.15064500 DEL 0.00365108 RSCALE 1.14513564 DEL -0.00007505 RSCALE 1.14547340 DEL -0.00000010 RSCALE 1.14546659 DEL 0.00000000 RSCALE 1.14546658 CNORM= 8.79659E-01 0.1000 -1.255E-01 X I 0.2000 1.005E-01 I X 0.3000 1.834E-01 I X 0.4000 5.224E-02 I X 0.5000 -1.255E-01 X I 0.6000 -2.496E-01 X I 0.7000 -2.946E-01 X I 0.8000 -2.711E-01 X I 0.9000 -2.004E-01 X I 1.0000 -1.032E-01 X I 1.1000 4.907E-03 X 1.2000 1.129E-01 I X 1.3000 2.142E-01 I X 1.4000 3.049E-01 I X 1.5000 3.835E-01 I X 1.6000 4.496E-01 I X 1.7000 5.037E-01 I X 1.8000 5.466E-01 I X 1.9000 5.796E-01 I X 2.0000 6.039E-01 I X 2.2000 6.307E-01 I X 2.4000 6.354E-01 I X 2.6000 6.248E-01 I X 2.8000 6.038E-01 I X 3.0000 5.762E-01 I X 3.2000 5.447E-01 I X 3.4000 5.110E-01 I X 3.6000 4.766E-01 I X 3.8000 4.423E-01 I X 4.0000 4.088E-01 I X 4.2000 3.764E-01 I X 4.4000 3.454E-01 I X 4.6000 3.159E-01 I X 4.8000 2.882E-01 I X 5.0000 2.623E-01 I X 5.2000 2.381E-01 I X 5.4000 2.157E-01 I X 5.6000 1.950E-01 I X 5.8000 1.760E-01 I X 6.0000 1.585E-01 I X 6.2000 1.426E-01 I X 6.4000 1.281E-01 I X 6.6000 1.149E-01 I X 6.8000 1.029E-01 I X 7.0000 9.205E-02 I X 7.2000 8.226E-02 I X 7.4000 7.343E-02 I X 7.6000 6.547E-02 I X 7.8000 5.833E-02 I X 8.0000 5.191E-02 I X 8.2000 4.616E-02 I X 8.4000 4.101E-02 I X 8.6000 3.641E-02 I X 8.8000 3.230E-02 I X 9.0000 2.864E-02 I X 9.2000 2.537E-02 I X 9.4000 2.246E-02 I X 9.6000 1.987E-02 I X 9.8000 1.757E-02 I X 10.0000 1.552E-02 IX 10.4000 1.210E-02 IX 10.8000 9.417E-03 IX 11.2000 7.313E-03 IX 6s d10 d10 6s 2 42850.7 38120.7 0. 6s d10 d10 6s 2 42850.7 38120.7 0. 0.000 0.000 0.000 0.000 2 47.00 CONFIG=d10 6s d10 L=0 ELIM= 64089.600 N= 6 E= 42850.700 E= -0.19354311 Z=1.0000 L=0.0000 STEP=-.1000 NUM= 4400 NSAVE= 4400 IRREG=0 IFITER=99 NNODES= 5 NUMR 4225 NUMS 4225 NUML 4399 RS 17.642 RL 0.250 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 DEL -0.89885864 RSCALE 1.37271249 DEL -0.95973918 RSCALE 1.38616800 DEL -0.89885833 RSCALE 1.37271249 DEL -0.83693207 RSCALE 1.35938759 DEL -0.77358292 RSCALE 1.34619203 DEL -0.71031844 RSCALE 1.33312457 DEL -0.64103537 RSCALE 1.32018395 DEL -0.57098465 RSCALE 1.30736894 DEL -0.49778669 RSCALE 1.29467833 DEL -0.42090650 RSCALE 1.28211091 DEL -0.34309183 RSCALE 1.26966548 DEL -0.25716229 RSCALE 1.25734086 DEL -0.16170752 RSCALE 1.24513587 DEL -0.06311879 RSCALE 1.23304935 DEL 0.00456467 RSCALE 1.22531128 DEL -0.00012221 RSCALE 1.22583315 DEL -0.00000023 RSCALE 1.22581954 DEL 0.00000000 RSCALE 1.22581952 CNORM= 9.82406E-01 0.1000 -4.396E-02 X I 0.2000 3.770E-02 I X 0.3000 6.208E-02 I X 0.4000 1.005E-02 IX 0.5000 -5.320E-02 X I 0.6000 -9.160E-02 X I 0.7000 -9.831E-02 X I 0.8000 -7.983E-02 X I 0.9000 -4.584E-02 X I 1.0000 -4.893E-03 XI 1.1000 3.681E-02 I X 1.2000 7.531E-02 I X 1.3000 1.084E-01 I X 1.4000 1.351E-01 I X 1.5000 1.551E-01 I X 1.6000 1.689E-01 I X 1.7000 1.769E-01 I X 1.8000 1.797E-01 I X 1.9000 1.781E-01 I X 2.0000 1.727E-01 I X 2.2000 1.529E-01 I X 2.4000 1.245E-01 I X 2.6000 9.061E-02 I X 2.8000 5.351E-02 I X 3.0000 1.484E-02 I X 3.2000 -2.420E-02 X I 3.4000 -6.277E-02 X I 3.6000 -1.003E-01 X I 3.8000 -1.363E-01 X I 4.0000 -1.704E-01 X I 4.2000 -2.024E-01 X I 4.4000 -2.321E-01 X I 4.6000 -2.595E-01 X I 4.8000 -2.843E-01 X I 5.0000 -3.066E-01 X I 5.2000 -3.263E-01 X I 5.4000 -3.436E-01 X I 5.6000 -3.584E-01 X I 5.8000 -3.709E-01 X I 6.0000 -3.812E-01 X I 6.2000 -3.893E-01 X I 6.4000 -3.954E-01 X I 6.6000 -3.996E-01 X I 6.8000 -4.021E-01 X I 7.0000 -4.030E-01 X I 7.2000 -4.023E-01 X I 7.4000 -4.004E-01 X I 7.6000 -3.972E-01 X I 7.8000 -3.928E-01 X I 8.0000 -3.875E-01 X I 8.2000 -3.814E-01 X I 8.4000 -3.744E-01 X I 8.6000 -3.668E-01 X I 8.8000 -3.586E-01 X I 9.0000 -3.499E-01 X I 9.2000 -3.408E-01 X I 9.4000 -3.314E-01 X I 9.6000 -3.218E-01 X I 9.8000 -3.119E-01 X I 10.0000 -3.020E-01 X I 10.4000 -2.818E-01 X I 10.8000 -2.617E-01 X I 11.2000 -2.420E-01 X I 11.6000 -2.228E-01 X I 12.0000 -2.044E-01 X I 12.4000 -1.868E-01 X I 12.8000 -1.702E-01 X I 13.2000 -1.546E-01 X I 13.6000 -1.401E-01 X I 14.0000 -1.266E-01 X I 14.4000 -1.141E-01 X I 14.8000 -1.027E-01 X I 15.2000 -9.214E-02 X I 15.6000 -8.253E-02 X I 16.0000 -7.379E-02 X I 16.4000 -6.586E-02 X I 16.8000 -5.868E-02 X I 17.2000 -5.220E-02 X I 17.6000 -4.637E-02 X I 18.0000 -4.113E-02 X I 18.4000 -3.643E-02 X I 18.8000 -3.223E-02 X I 19.2000 -2.847E-02 X I 19.6000 -2.513E-02 X I 20.0000 -2.215E-02 X I 20.5000 -1.889E-02 X I 21.0000 -1.609E-02 X I 21.5000 -1.368E-02 X I 22.0000 -1.161E-02 X I 22.5000 -9.845E-03 XI 23.0000 -8.336E-03 XI 23.5000 -7.050E-03 XI 24.0000 -5.955E-03 XI 24.5000 -5.024E-03 XI 25.0000 -4.235E-03 XI 7s d10 d10 7s 3 51898.2 47087.9 0. 7s d10 d10 7s 3 51898.2 47087.9 0. 0.000 0.000 0.000 0.000 3 47.00 CONFIG=d10 7s d10 L=0 ELIM= 64089.600 N= 7 E= 51898.200 E= -0.11109622 Z=1.0000 L=0.0000 STEP=-.1000 NUM= 5900 NSAVE= 5900 IRREG=0 IFITER=99 NNODES= 6 NUMR 5725 NUMS 5725 NUML 5899 RS 17.642 RL 0.250 DEL -0.39275857 RSCALE 1.50000000 DEL -0.46937438 RSCALE 1.51470320 DEL -0.39015998 RSCALE 1.50000000 DEL -0.30532641 RSCALE 1.48543952 DEL -0.21380211 RSCALE 1.47102038 DEL -0.11429446 RSCALE 1.45674121 DEL -0.00521899 RSCALE 1.44260065 DEL 0.00030005 RSCALE 1.44192406 DEL -0.00478636 RSCALE 1.44196084 DEL 0.00028239 RSCALE 1.44192623 DEL 0.00026662 RSCALE 1.44192815 DEL -0.00000006 RSCALE 1.44196077 DEL 0.00000000 RSCALE 1.44196076 CNORM= 9.94645E-01 0.1000 -2.849E-02 X I 0.2000 2.778E-02 I X 0.3000 3.634E-02 I X 0.4000 -5.257E-03 XI 0.5000 -4.527E-02 X I 0.6000 -6.033E-02 X I 0.7000 -5.066E-02 X I 0.8000 -2.531E-02 X I 0.9000 6.198E-03 IX 1.0000 3.683E-02 I X 1.1000 6.236E-02 I X 1.2000 8.085E-02 I X 1.3000 9.184E-02 I X 1.4000 9.578E-02 I X 1.5000 9.360E-02 I X 1.6000 8.637E-02 I X 1.7000 7.519E-02 I X 1.8000 6.107E-02 I X 1.9000 4.490E-02 I X 2.0000 2.742E-02 I X 2.2000 -9.159E-03 X I 2.4000 -4.515E-02 X I 2.6000 -7.845E-02 X I 2.8000 -1.080E-01 X I 3.0000 -1.332E-01 X I 3.2000 -1.540E-01 X I 3.4000 -1.704E-01 X I 3.6000 -1.827E-01 X I 3.8000 -1.912E-01 X I 4.0000 -1.960E-01 X I 4.2000 -1.976E-01 X I 4.4000 -1.961E-01 X I 4.6000 -1.918E-01 X I 4.8000 -1.851E-01 X I 5.0000 -1.760E-01 X I 5.2000 -1.650E-01 X I 5.4000 -1.521E-01 X I 5.6000 -1.376E-01 X I 5.8000 -1.218E-01 X I 6.0000 -1.049E-01 X I 6.2000 -8.698E-02 X I 6.4000 -6.836E-02 X I 6.6000 -4.918E-02 X I 6.8000 -2.963E-02 X I 7.0000 -9.864E-03 X I 7.2000 9.977E-03 I X 7.4000 2.975E-02 I X 7.6000 4.934E-02 I X 7.8000 6.863E-02 I X 8.0000 8.752E-02 I X 8.2000 1.059E-01 I X 8.4000 1.238E-01 I X 8.6000 1.410E-01 I X 8.8000 1.575E-01 I X 9.0000 1.733E-01 I X 9.2000 1.883E-01 I X 9.4000 2.026E-01 I X 9.6000 2.160E-01 I X 9.8000 2.285E-01 I X 10.0000 2.403E-01 I X 10.4000 2.611E-01 I X 10.8000 2.786E-01 I X 11.2000 2.928E-01 I X 11.6000 3.038E-01 I X 12.0000 3.119E-01 I X 12.4000 3.172E-01 I X 12.8000 3.199E-01 I X 13.2000 3.203E-01 I X 13.6000 3.187E-01 I X 14.0000 3.152E-01 I X 14.4000 3.101E-01 I X 14.8000 3.036E-01 I X 15.2000 2.960E-01 I X 15.6000 2.874E-01 I X 16.0000 2.780E-01 I X 16.4000 2.680E-01 I X 16.8000 2.575E-01 I X 17.2000 2.467E-01 I X 17.6000 2.357E-01 I X 18.0000 2.246E-01 I X 18.4000 2.134E-01 I X 18.8000 2.024E-01 I X 19.2000 1.915E-01 I X 19.6000 1.809E-01 I X 20.0000 1.705E-01 I X 20.5000 1.579E-01 I X 21.0000 1.458E-01 I X 21.5000 1.344E-01 I X 22.0000 1.235E-01 I X 22.5000 1.132E-01 I X 23.0000 1.036E-01 I X 23.5000 9.463E-02 I X 24.0000 8.626E-02 I X 24.5000 7.848E-02 I X 25.0000 7.128E-02 I X 25.5000 6.463E-02 I X 26.0000 5.851E-02 I X 26.5000 5.290E-02 I X 27.0000 4.775E-02 I X 27.5000 4.304E-02 I X 28.0000 3.875E-02 I X 28.5000 3.484E-02 I X 29.0000 3.129E-02 I X 29.5000 2.806E-02 I X 30.0000 2.515E-02 I X 31.0000 2.012E-02 I X 32.0000 1.604E-02 I X 33.0000 1.274E-02 I X 34.0000 1.008E-02 I X 35.0000 7.953E-03 IX 36.0000 6.255E-03 IX 37.0000 4.906E-03 IX 38.0000 3.837E-03 IX 8s d10 d10 8s 4 55586.9 50670.4 0. 8s d10 d10 8s 4 55586.9 50670.4 0. 0.000 0.000 0.000 0.000 4 47.00 CONFIG=d10 8s d10 L=0 ELIM= 64089.600 N= 8 E= 55586.900 E= -0.07748231 Z=1.0000 L=0.0000 STEP=-.1000 NUM= 7200 NSAVE= 7200 IRREG=0 IFITER=99 NNODES= 7 NUMR 7025 NUMS 7025 NUML 7199 RS 17.642 RL 0.250 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 DEL 11.28639037 RSCALE 1.54500000 DEL 48.01032291 RSCALE 1.53000271 DEL 11.28654899 RSCALE 1.54500000 DEL 8.97225054 RSCALE 1.54960921 DEL 5.12650069 RSCALE 1.56479869 DEL 3.38163458 RSCALE 1.58013706 DEL 2.38061960 RSCALE 1.59562577 DEL 1.70914981 RSCALE 1.61126631 DEL 1.26691494 RSCALE 1.62706016 DEL 0.92187522 RSCALE 1.64300882 DEL 0.65271607 RSCALE 1.65911381 DEL 0.43582415 RSCALE 1.67537667 DEL 0.25004564 RSCALE 1.69179893 DEL 0.10038674 RSCALE 1.70838217 DEL 0.01608051 RSCALE 1.71950572 DEL 0.00013851 RSCALE 1.72162742 DEL 0.00000130 RSCALE 1.72164585 DEL 0.00000000 RSCALE 1.72164602 CNORM= 9.93513E-01 0.1000 -2.094E-02 X I 0.2000 2.268E-02 I X 0.3000 2.313E-02 I X 0.4000 -1.226E-02 X I 0.5000 -3.843E-02 X I 0.6000 -3.994E-02 X I 0.7000 -2.211E-02 X I 0.8000 4.078E-03 IX 0.9000 2.945E-02 I X 1.0000 4.854E-02 I X 1.1000 5.918E-02 I X 1.2000 6.137E-02 I X 1.3000 5.630E-02 I X 1.4000 4.566E-02 I X 1.5000 3.122E-02 I X 1.6000 1.456E-02 I X 1.7000 -2.996E-03 XI 1.8000 -2.042E-02 X I 1.9000 -3.696E-02 X I 2.0000 -5.207E-02 X I 2.2000 -7.682E-02 X I 2.4000 -9.354E-02 X I 2.6000 -1.025E-01 X I 2.8000 -1.045E-01 X I 3.0000 -1.008E-01 X I 3.2000 -9.240E-02 X I 3.4000 -8.049E-02 X I 3.6000 -6.593E-02 X I 3.8000 -4.949E-02 X I 4.0000 -3.184E-02 X I 4.2000 -1.348E-02 X I 4.4000 5.143E-03 IX 4.6000 2.368E-02 I X 4.8000 4.185E-02 I X 5.0000 5.941E-02 I X 5.2000 7.617E-02 I X 5.4000 9.196E-02 I X 5.6000 1.067E-01 I X 5.8000 1.202E-01 I X 6.0000 1.324E-01 I X 6.2000 1.432E-01 I X 6.4000 1.527E-01 I X 6.6000 1.607E-01 I X 6.8000 1.673E-01 I X 7.0000 1.724E-01 I X 7.2000 1.761E-01 I X 7.4000 1.784E-01 I X 7.6000 1.793E-01 I X 7.8000 1.789E-01 I X 8.0000 1.772E-01 I X 8.2000 1.743E-01 I X 8.4000 1.702E-01 I X 8.6000 1.650E-01 I X 8.8000 1.588E-01 I X 9.0000 1.517E-01 I X 9.2000 1.436E-01 I X 9.4000 1.348E-01 I X 9.6000 1.252E-01 I X 9.8000 1.150E-01 I X 10.0000 1.042E-01 I X 10.4000 8.113E-02 I X 10.8000 5.657E-02 I X 11.2000 3.103E-02 I X 11.6000 4.989E-03 IX 12.0000 -2.114E-02 X I 12.4000 -4.696E-02 X I 12.8000 -7.216E-02 X I 13.2000 -9.646E-02 X I 13.6000 -1.196E-01 X I 14.0000 -1.414E-01 X I 14.4000 -1.618E-01 X I 14.8000 -1.806E-01 X I 15.2000 -1.977E-01 X I 15.6000 -2.131E-01 X I 16.0000 -2.267E-01 X I 16.4000 -2.387E-01 X I 16.8000 -2.489E-01 X I 17.2000 -2.575E-01 X I 17.6000 -2.645E-01 X I 18.0000 -2.700E-01 X I 18.4000 -2.740E-01 X I 18.8000 -2.766E-01 X I 19.2000 -2.780E-01 X I 19.6000 -2.782E-01 X I 20.0000 -2.773E-01 X I 20.5000 -2.747E-01 X I 21.0000 -2.708E-01 X I 21.5000 -2.657E-01 X I 22.0000 -2.596E-01 X I 22.5000 -2.525E-01 X I 23.0000 -2.448E-01 X I 23.5000 -2.365E-01 X I 24.0000 -2.277E-01 X I 24.5000 -2.186E-01 X I 25.0000 -2.093E-01 X I 25.5000 -1.998E-01 X I 26.0000 -1.903E-01 X I 26.5000 -1.808E-01 X I 27.0000 -1.714E-01 X I 27.5000 -1.621E-01 X I 28.0000 -1.531E-01 X I 28.5000 -1.442E-01 X I 29.0000 -1.356E-01 X I 29.5000 -1.274E-01 X I 30.0000 -1.194E-01 X I 31.0000 -1.044E-01 X I 32.0000 -9.080E-02 X I 33.0000 -7.853E-02 X I 34.0000 -6.759E-02 X I 35.0000 -5.791E-02 X I 36.0000 -4.941E-02 X I 37.0000 -4.198E-02 X I 38.0000 -3.555E-02 X I 39.0000 -2.999E-02 X I 40.0000 -2.522E-02 X I 41.0000 -2.115E-02 X I 42.0000 -1.768E-02 X I 43.0000 -1.474E-02 X I 44.0000 -1.226E-02 X I 45.0000 -1.017E-02 X I 46.0000 -8.416E-03 X I 47.0000 -6.950E-03 XI 48.0000 -5.728E-03 XI 49.0000 -4.711E-03 XI 50.0000 -3.868E-03 XI 51.0000 -3.169E-03 XI 9s d10 d10 9s 5 57428.3 52469.2 0. 9s d10 d10 9s 5 57428.3 52469.2 0. 0.000 0.000 0.000 0.000 5 47.00 CONFIG=d10 9s d10 L=0 ELIM= 64089.600 N= 9 E= 57428.300 E= -0.06070224 Z=1.0000 L=0.0000 STEP=-.1000 NUM= 8200 NSAVE= 8200 IRREG=0 IFITER=99 NNODES= 8 NUMR 8025 NUMS 8025 NUML 8199 RS 17.642 RL 0.250 RMAX -1.00000000 RMIN 1.50000000 RSCALE 1.54500000 RMAX -1.00000000 RMIN 1.54500000 RSCALE 1.59135000 RMAX -1.00000000 RMIN 1.59135000 RSCALE 1.63909050 RMAX -1.00000000 RMIN 1.63909050 RSCALE 1.68826322 RMAX -1.00000000 RMIN 1.68826322 RSCALE 1.73891111 RMAX -1.00000000 RMIN 1.73891111 RSCALE 1.79107844 RMAX -1.00000000 RMIN 1.79107844 RSCALE 1.84481080 RMAX -1.00000000 RMIN 1.84481080 RSCALE 1.90015512 RMAX -1.00000000 RMIN 1.90015512 RSCALE 1.95715978 RMAX -1.00000000 RMIN 1.95715978 RSCALE 2.01587457 DEL 6.46131829 RSCALE 2.01587457 DEL 26.65202226 RSCALE 1.99630651 DEL 6.46131841 RSCALE 2.01587457 DEL 4.97009270 RSCALE 2.02213663 DEL 2.72359448 RSCALE 2.04195789 DEL 1.68376446 RSCALE 2.06197343 DEL 1.06852213 RSCALE 2.08218517 DEL 0.66372373 RSCALE 2.10259503 DEL 0.37502304 RSCALE 2.12320495 DEL 0.15711187 RSCALE 2.14401689 DEL 0.03066683 RSCALE 2.15902210 DEL 0.00299143 RSCALE 2.16266133 DEL 0.00006227 RSCALE 2.16305469 DEL 0.00000013 RSCALE 2.16306305 DEL 0.00000000 RSCALE 2.16306307 CNORM= 9.94519E-01 0.1000 -1.755E-02 X I 0.2000 2.095E-02 I X 0.3000 1.526E-02 I X 0.4000 -1.767E-02 X I 0.5000 -3.379E-02 X I 0.6000 -2.428E-02 X I 0.7000 -4.794E-04 X 0.8000 2.402E-02 I X 0.9000 4.056E-02 I X 1.0000 4.603E-02 I X 1.1000 4.118E-02 I X 1.2000 2.864E-02 I X 1.3000 1.161E-02 I X 1.4000 -7.014E-03 X I 1.5000 -2.491E-02 X I 1.6000 -4.047E-02 X I 1.7000 -5.274E-02 X I 1.8000 -6.126E-02 X I 1.9000 -6.597E-02 X I 2.0000 -6.707E-02 X I 2.2000 -6.000E-02 X I 2.4000 -4.377E-02 X I 2.6000 -2.214E-02 X I 2.8000 1.763E-03 X 3.0000 2.558E-02 I X 3.2000 4.772E-02 I X 3.4000 6.718E-02 I X 3.6000 8.343E-02 I X 3.8000 9.625E-02 I X 4.0000 1.057E-01 I X 4.2000 1.118E-01 I X 4.4000 1.149E-01 I X 4.6000 1.152E-01 I X 4.8000 1.130E-01 I X 5.0000 1.087E-01 I X 5.2000 1.024E-01 I X 5.4000 9.452E-02 I X 5.6000 8.523E-02 I X 5.8000 7.479E-02 I X 6.0000 6.341E-02 I X 6.2000 5.128E-02 I X 6.4000 3.857E-02 I X 6.6000 2.547E-02 I X 6.8000 1.211E-02 I X 7.0000 -1.370E-03 X 7.2000 -1.484E-02 X I 7.4000 -2.817E-02 X I 7.6000 -4.127E-02 X I 7.8000 -5.404E-02 X I 8.0000 -6.639E-02 X I 8.2000 -7.823E-02 X I 8.4000 -8.950E-02 X I 8.6000 -1.001E-01 X I 8.8000 -1.101E-01 X I 9.0000 -1.193E-01 X I 9.2000 -1.278E-01 X I 9.4000 -1.354E-01 X I 9.6000 -1.422E-01 X I 9.8000 -1.482E-01 X I 10.0000 -1.533E-01 X I 10.4000 -1.610E-01 X I 10.8000 -1.654E-01 X I 11.2000 -1.664E-01 X I 11.6000 -1.643E-01 X I 12.0000 -1.593E-01 X I 12.4000 -1.515E-01 X I 12.8000 -1.414E-01 X I 13.2000 -1.290E-01 X I 13.6000 -1.148E-01 X I 14.0000 -9.903E-02 X I 14.4000 -8.194E-02 X I 14.8000 -6.382E-02 X I 15.2000 -4.494E-02 X I 15.6000 -2.554E-02 X I 16.0000 -5.872E-03 XI 16.4000 1.386E-02 I X 16.8000 3.346E-02 I X 17.2000 5.275E-02 I X 17.6000 7.157E-02 I X 18.0000 8.978E-02 I X 18.4000 1.073E-01 I X 18.8000 1.239E-01 I X 19.2000 1.397E-01 I X 19.6000 1.545E-01 I X 20.0000 1.683E-01 I X 20.5000 1.840E-01 I X 21.0000 1.980E-01 I X 21.5000 2.104E-01 I X 22.0000 2.210E-01 I X 22.5000 2.300E-01 I X 23.0000 2.373E-01 I X 23.5000 2.431E-01 I X 24.0000 2.474E-01 I X 24.5000 2.503E-01 I X 25.0000 2.519E-01 I X 25.5000 2.523E-01 I X 26.0000 2.515E-01 I X 26.5000 2.498E-01 I X 27.0000 2.471E-01 I X 27.5000 2.436E-01 I X 28.0000 2.394E-01 I X 28.5000 2.345E-01 I X 29.0000 2.290E-01 I X 29.5000 2.231E-01 I X 30.0000 2.168E-01 I X 31.0000 2.033E-01 I X 32.0000 1.890E-01 I X 33.0000 1.744E-01 I X 34.0000 1.597E-01 I X 35.0000 1.454E-01 I X 36.0000 1.316E-01 I X 37.0000 1.184E-01 I X 38.0000 1.060E-01 I X 39.0000 9.452E-02 I X 40.0000 8.389E-02 I X 41.0000 7.415E-02 I X 42.0000 6.530E-02 I X 43.0000 5.730E-02 I X 44.0000 5.012E-02 I X 45.0000 4.370E-02 I X 46.0000 3.799E-02 I X 47.0000 3.293E-02 I X 48.0000 2.847E-02 I X 49.0000 2.455E-02 I X 50.0000 2.112E-02 I X 51.0000 1.813E-02 I X 52.0000 1.553E-02 I X 53.0000 1.328E-02 I X 54.0000 1.133E-02 I X 55.0000 9.644E-03 I X 56.0000 8.197E-03 I X 57.0000 6.955E-03 I X 58.0000 5.891E-03 IX 59.0000 4.983E-03 IX 60.0000 4.208E-03 IX 62.0000 2.987E-03 IX 4d d8s2 d9 5s2 6 35712.2 31195.7 0. 4d d8s2 d9 5s2 6 35712.2 31195.7 0. 0.000 0.000 0.000 0.000 6 47.00 CONFIG=d9 5s2 d8s2 L=2 ELIM= 170724.200 N= 4 E= 35712.200 E= -1.23031993 Z=1.0000 L=2.0000 STEP=-.1000 NUM= 1700 NSAVE= 1700 IRREG=0 IFITER=99 NNODES= 1 NUMR 1525 NUMS 1525 NUML 1686 RS 17.642 RL 1.500 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 RMAX 1.33273057 RMIN -1.00000000 RSCALE 1.29391318 RMAX 1.29391318 RMIN -1.00000000 RSCALE 1.25622639 RMAX 1.25622639 RMIN -1.00000000 RSCALE 1.21963727 RMAX 1.21963727 RMIN -1.00000000 RSCALE 1.18411385 DEL 5.51393301 RSCALE 1.18411385 DEL 3.18783356 RSCALE 1.17261968 DEL 1.86160370 RSCALE 1.16123707 DEL 1.00773288 RSCALE 1.14996496 DEL 0.41398732 RSCALE 1.13880227 DEL 0.09513135 RSCALE 1.13101912 DEL 0.01141468 RSCALE 1.12869700 DEL 0.00035760 RSCALE 1.12838038 DEL 0.00000131 RSCALE 1.12837014 DEL 0.00000000 RSCALE 1.12837010 CNORM= 1.50988E+00 0.1000 2.426E-01 I X 0.2000 4.875E-01 I X 0.3000 3.603E-01 I X 0.4000 3.298E-02 I X 0.5000 -3.145E-01 X I 0.6000 -5.968E-01 X I 0.7000 -7.919E-01 X I 0.8000 -9.072E-01 X I 0.9000 -9.593E-01 X I 1.0000 -9.657E-01 X I 1.1000 -9.411E-01 X I 1.2000 -8.967E-01 X I 1.3000 -8.409E-01 X I 1.4000 -7.795E-01 X I 1.5000 -7.165E-01 X I 1.6000 -6.544E-01 X I 1.7000 -5.949E-01 X I 1.8000 -5.388E-01 X I 1.9000 -4.868E-01 X I 2.0000 -4.389E-01 X I 2.2000 -3.555E-01 X I 2.4000 -2.871E-01 X I 2.6000 -2.316E-01 X I 2.8000 -1.869E-01 X I 3.0000 -1.508E-01 X I 3.2000 -1.219E-01 X I 3.4000 -9.860E-02 X I 3.6000 -7.985E-02 X I 3.8000 -6.474E-02 X I 4.0000 -5.253E-02 X I 4.2000 -4.266E-02 X I 4.4000 -3.466E-02 X I 4.6000 -2.818E-02 X I 4.8000 -2.291E-02 XI 5.0000 -1.863E-02 XI 5.2000 -1.516E-02 XI 5.4000 -1.233E-02 XI 5.6000 -1.003E-02 XI 5s d9 5s d9 5s2 6 35712.2 31195.7 0. 5s d9 5s d9 5s2 6 35712.2 31195.7 0. 0.000 0.000 0.000 0.000 6 47.00 CONFIG=d9 5s2 d9 5s L=0 ELIM= 105289.800 N= 5 E= 35712.200 E= -0.63403778 Z=1.0000 L=0.0000 STEP=-.1000 NUM= 2400 NSAVE= 2400 IRREG=0 IFITER=99 NNODES= 4 NUMR 2225 NUMS 2225 NUML 2399 RS 17.642 RL 0.250 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 RMAX 1.33273057 RMIN -1.00000000 RSCALE 1.29391318 DEL -0.95064395 RSCALE 1.29391318 RMAX 1.30659629 RMIN -1.00000000 RSCALE 1.30025473 DEL -0.98846603 RSCALE 1.30025473 DEL -0.91371157 RSCALE 1.28763318 DEL -0.83603318 RSCALE 1.27513414 DEL -0.75756311 RSCALE 1.26275644 DEL -0.67678483 RSCALE 1.25049888 DEL -0.59305733 RSCALE 1.23836030 DEL -0.50787694 RSCALE 1.22633956 DEL -0.41631644 RSCALE 1.21443550 DEL -0.31687464 RSCALE 1.20264699 DEL -0.21358352 RSCALE 1.19097292 DEL -0.10289180 RSCALE 1.17941216 DEL 0.00891589 RSCALE 1.16866604 DEL -0.00035178 RSCALE 1.16952297 DEL -0.00000117 RSCALE 1.16949044 DEL 0.00000000 RSCALE 1.16949033 CNORM= 8.35371E-01 0.1000 -1.356E-01 X I 0.2000 1.110E-01 I X 0.3000 1.964E-01 I X 0.4000 4.910E-02 I X 0.5000 -1.441E-01 X I 0.6000 -2.743E-01 X I 0.7000 -3.156E-01 X I 0.8000 -2.817E-01 X I 0.9000 -1.977E-01 X I 1.0000 -8.673E-02 X I 1.1000 3.373E-02 I X 1.2000 1.519E-01 I X 1.3000 2.606E-01 I X 1.4000 3.562E-01 I X 1.5000 4.373E-01 I X 1.6000 5.038E-01 I X 1.7000 5.566E-01 I X 1.8000 5.970E-01 I X 1.9000 6.264E-01 I X 2.0000 6.463E-01 I X 2.2000 6.631E-01 I X 2.4000 6.572E-01 I X 2.6000 6.362E-01 I X 2.8000 6.057E-01 I X 3.0000 5.696E-01 I X 3.2000 5.308E-01 I X 3.4000 4.911E-01 I X 3.6000 4.518E-01 I X 3.8000 4.138E-01 I X 4.0000 3.774E-01 I X 4.2000 3.431E-01 I X 4.4000 3.109E-01 I X 4.6000 2.810E-01 I X 4.8000 2.533E-01 I X 5.0000 2.277E-01 I X 5.2000 2.044E-01 I X 5.4000 1.830E-01 I X 5.6000 1.636E-01 I X 5.8000 1.460E-01 I X 6.0000 1.301E-01 I X 6.2000 1.157E-01 I X 6.4000 1.028E-01 I X 6.6000 9.121E-02 I X 6.8000 8.083E-02 I X 7.0000 7.155E-02 I X 7.2000 6.327E-02 I X 7.4000 5.589E-02 I X 7.6000 4.932E-02 I X 7.8000 4.348E-02 I X 8.0000 3.831E-02 I X 8.2000 3.372E-02 I X 8.4000 2.965E-02 I X 8.6000 2.606E-02 I X 8.8000 2.289E-02 I X 9.0000 2.009E-02 I X 9.2000 1.762E-02 IX 9.4000 1.544E-02 IX 9.6000 1.353E-02 IX 9.8000 1.185E-02 IX 10.0000 1.037E-02 IX 10.4000 7.925E-03 IX 6s d9 5s d9 5s6s 7 82851.0 74480.4 8500. 6s d9 5s d9 5s6s 7 82851.0 74480.4 8500. 0.000 0.000 0.000 0.000 7 47.00 CONFIG=d9 5s6s d9 5s L=0 ELIM= 105289.800 N= 6 E= 82851.000 E= -0.20447740 Z=1.0000 L=0.0000 STEP=-.1000 NUM= 4300 NSAVE= 4300 IRREG=0 IFITER=99 NNODES= 5 NUMR 4125 NUMS 4125 NUML 4299 RS 17.642 RL 0.250 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 DEL -0.84985942 RSCALE 1.41389386 DEL -0.90963978 RSCALE 1.42775304 DEL -0.84985895 RSCALE 1.41389386 DEL -0.78886862 RSCALE 1.40016922 DEL -0.72628872 RSCALE 1.38657780 DEL -0.66172257 RSCALE 1.37311831 DEL -0.59688799 RSCALE 1.35978947 DEL -0.52490618 RSCALE 1.34659001 DEL -0.45169252 RSCALE 1.33351868 DEL -0.37454102 RSCALE 1.32057424 DEL -0.29280917 RSCALE 1.30775544 DEL -0.20955949 RSCALE 1.29506108 DEL -0.11655985 RSCALE 1.28248994 DEL -0.01209926 RSCALE 1.27004083 DEL 0.00011735 RSCALE 1.26859890 DEL -0.00000061 RSCALE 1.26861275 DEL 0.00000000 RSCALE 1.26861268 CNORM= 9.81347E-01 0.1000 -4.410E-02 X I 0.2000 3.899E-02 I X 0.3000 6.112E-02 I X 0.4000 6.132E-03 IX 0.5000 -5.743E-02 X I 0.6000 -9.315E-02 X I 0.7000 -9.545E-02 X I 0.8000 -7.229E-02 X I 0.9000 -3.445E-02 X I 1.0000 8.940E-03 IX 1.1000 5.146E-02 I X 1.2000 8.922E-02 I X 1.3000 1.202E-01 I X 1.4000 1.437E-01 I X 1.5000 1.598E-01 I X 1.6000 1.690E-01 I X 1.7000 1.721E-01 I X 1.8000 1.699E-01 I X 1.9000 1.633E-01 I X 2.0000 1.530E-01 I X 2.2000 1.241E-01 I X 2.4000 8.781E-02 I X 2.6000 4.739E-02 I X 2.8000 5.192E-03 IX 3.0000 -3.720E-02 X I 3.2000 -7.873E-02 X I 3.4000 -1.187E-01 X I 3.6000 -1.565E-01 X I 3.8000 -1.920E-01 X I 4.0000 -2.250E-01 X I 4.2000 -2.552E-01 X I 4.4000 -2.826E-01 X I 4.6000 -3.072E-01 X I 4.8000 -3.290E-01 X I 5.0000 -3.480E-01 X I 5.2000 -3.643E-01 X I 5.4000 -3.779E-01 X I 5.6000 -3.891E-01 X I 5.8000 -3.978E-01 X I 6.0000 -4.044E-01 X I 6.2000 -4.088E-01 X I 6.4000 -4.114E-01 X I 6.6000 -4.121E-01 X I 6.8000 -4.112E-01 X I 7.0000 -4.089E-01 X I 7.2000 -4.052E-01 X I 7.4000 -4.003E-01 X I 7.6000 -3.944E-01 X I 7.8000 -3.875E-01 X I 8.0000 -3.799E-01 X I 8.2000 -3.715E-01 X I 8.4000 -3.626E-01 X I 8.6000 -3.531E-01 X I 8.8000 -3.433E-01 X I 9.0000 -3.332E-01 X I 9.2000 -3.228E-01 X I 9.4000 -3.123E-01 X I 9.6000 -3.016E-01 X I 9.8000 -2.909E-01 X I 10.0000 -2.802E-01 X I 10.4000 -2.590E-01 X I 10.8000 -2.384E-01 X I 11.2000 -2.184E-01 X I 11.6000 -1.993E-01 X I 12.0000 -1.813E-01 X I 12.4000 -1.643E-01 X I 12.8000 -1.485E-01 X I 13.2000 -1.339E-01 X I 13.6000 -1.203E-01 X I 14.0000 -1.079E-01 X I 14.4000 -9.654E-02 X I 14.8000 -8.618E-02 X I 15.2000 -7.678E-02 X I 15.6000 -6.828E-02 X I 16.0000 -6.061E-02 X I 16.4000 -5.371E-02 X I 16.8000 -4.752E-02 X I 17.2000 -4.198E-02 X I 17.6000 -3.703E-02 X I 18.0000 -3.262E-02 X I 18.4000 -2.870E-02 X I 18.8000 -2.522E-02 X I 19.2000 -2.213E-02 X I 19.6000 -1.940E-02 X I 20.0000 -1.699E-02 X I 20.5000 -1.437E-02 X I 21.0000 -1.214E-02 X I 21.5000 -1.024E-02 XI 22.0000 -8.625E-03 XI 22.5000 -7.255E-03 XI 23.0000 -6.095E-03 XI 23.5000 -5.114E-03 XI 24.0000 -4.286E-03 XI 7s d9 5s d9 5s7s 8 93133.7 85095.8 8500. 7s d9 5s d9 5s7s 8 93133.7 85095.8 8500. 0.000 0.000 0.000 0.000 8 47.00 CONFIG=d9 5s7s d9 5s L=0 ELIM= 105289.800 N= 7 E= 93133.700 E= -0.11077454 Z=1.0000 L=0.0000 STEP=-.1000 NUM= 5900 NSAVE= 5900 IRREG=0 IFITER=99 NNODES= 6 NUMR 5725 NUMS 5725 NUML 5899 RS 17.642 RL 0.250 DEL -0.40930028 RSCALE 1.50000000 DEL -0.48484798 RSCALE 1.51470320 DEL -0.40676820 RSCALE 1.50000000 DEL -0.32330207 RSCALE 1.48543952 DEL -0.23342735 RSCALE 1.47102038 DEL -0.13591628 RSCALE 1.45674121 DEL -0.02927062 RSCALE 1.44260065 DEL 0.00203062 RSCALE 1.43871954 DEL -0.00482173 RSCALE 1.43897132 DEL 0.00141999 RSCALE 1.43879415 DEL 0.00109024 RSCALE 1.43883446 DEL 0.00000073 RSCALE 1.43896772 DEL 0.00000000 RSCALE 1.43896781 CNORM= 9.94680E-01 0.1000 -2.837E-02 X I 0.2000 2.764E-02 I X 0.3000 3.625E-02 I X 0.4000 -5.094E-03 XI 0.5000 -4.498E-02 X I 0.6000 -6.012E-02 X I 0.7000 -5.067E-02 X I 0.8000 -2.557E-02 X I 0.9000 5.733E-03 IX 1.0000 3.624E-02 I X 1.1000 6.175E-02 I X 1.2000 8.030E-02 I X 1.3000 9.143E-02 I X 1.4000 9.556E-02 I X 1.5000 9.360E-02 I X 1.6000 8.661E-02 I X 1.7000 7.567E-02 I X 1.8000 6.178E-02 I X 1.9000 4.583E-02 I X 2.0000 2.854E-02 I X 2.2000 -7.738E-03 XI 2.4000 -4.353E-02 X I 2.6000 -7.675E-02 X I 2.8000 -1.063E-01 X I 3.0000 -1.316E-01 X I 3.2000 -1.525E-01 X I 3.4000 -1.692E-01 X I 3.6000 -1.817E-01 X I 3.8000 -1.905E-01 X I 4.0000 -1.956E-01 X I 4.2000 -1.974E-01 X I 4.4000 -1.963E-01 X I 4.6000 -1.923E-01 X I 4.8000 -1.858E-01 X I 5.0000 -1.771E-01 X I 5.2000 -1.663E-01 X I 5.4000 -1.536E-01 X I 5.6000 -1.394E-01 X I 5.8000 -1.238E-01 X I 6.0000 -1.071E-01 X I 6.2000 -8.936E-02 X I 6.4000 -7.089E-02 X I 6.6000 -5.185E-02 X I 6.8000 -3.241E-02 X I 7.0000 -1.273E-02 X I 7.2000 7.043E-03 IX 7.4000 2.677E-02 I X 7.6000 4.632E-02 I X 7.8000 6.560E-02 I X 8.0000 8.449E-02 I X 8.2000 1.029E-01 I X 8.4000 1.208E-01 I X 8.6000 1.381E-01 I X 8.8000 1.546E-01 I X 9.0000 1.705E-01 I X 9.2000 1.856E-01 I X 9.4000 1.999E-01 I X 9.6000 2.134E-01 I X 9.8000 2.261E-01 I X 10.0000 2.379E-01 I X 10.4000 2.591E-01 I X 10.8000 2.768E-01 I X 11.2000 2.912E-01 I X 11.6000 3.025E-01 I X 12.0000 3.108E-01 I X 12.4000 3.164E-01 I X 12.8000 3.193E-01 I X 13.2000 3.200E-01 I X 13.6000 3.186E-01 I X 14.0000 3.153E-01 I X 14.4000 3.104E-01 I X 14.8000 3.041E-01 I X 15.2000 2.966E-01 I X 15.6000 2.881E-01 I X 16.0000 2.788E-01 I X 16.4000 2.689E-01 I X 16.8000 2.585E-01 I X 17.2000 2.478E-01 I X 17.6000 2.368E-01 I X 18.0000 2.257E-01 I X 18.4000 2.146E-01 I X 18.8000 2.036E-01 I X 19.2000 1.928E-01 I X 19.6000 1.821E-01 I X 20.0000 1.717E-01 I X 20.5000 1.591E-01 I X 21.0000 1.470E-01 I X 21.5000 1.355E-01 I X 22.0000 1.246E-01 I X 22.5000 1.143E-01 I X 23.0000 1.046E-01 I X 23.5000 9.560E-02 I X 24.0000 8.718E-02 I X 24.5000 7.935E-02 I X 25.0000 7.210E-02 I X 25.5000 6.540E-02 I X 26.0000 5.923E-02 I X 26.5000 5.356E-02 I X 27.0000 4.837E-02 I X 27.5000 4.362E-02 I X 28.0000 3.928E-02 I X 28.5000 3.533E-02 I X 29.0000 3.174E-02 I X 29.5000 2.848E-02 I X 30.0000 2.553E-02 I X 31.0000 2.044E-02 I X 32.0000 1.631E-02 I X 33.0000 1.296E-02 I X 34.0000 1.026E-02 I X 35.0000 8.102E-03 IX 36.0000 6.376E-03 IX 37.0000 5.004E-03 IX 38.0000 3.917E-03 IX 8s d9 5s d9 5s8s 9 97557.2 89057.2 FIXEDHF 8500. HF 8s d9 5s d9 5s8s 9 97557.2 89057.2 FIXEDHF 8500. HF 0.000 0.000 0.000 0.000 9 47.00 CONFIG=d9 5s8s d9 5s L=0 ELIM= 94783.100 N= 8 E= 89057.200HF E= -0.05217824 Z=1.0000 L=0.0000 STEP=-.1000 NUM= 8900 NSAVE= 8900 IRREG=0 IFITER=99 NNODES= 7 NUMR 8725 NUMS 8725 NUML 8899 RS 17.642 RL 0.250 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 DEL -0.99367106 RSCALE 1.33273057 RMAX 1.34579418 RMIN -1.00000000 RSCALE 1.33926237 RMAX 1.33926237 RMIN -1.00000000 RSCALE 1.33599647 RMAX 1.33599647 RMIN -1.00000000 RSCALE 1.33436352 RMAX 1.33436352 RMIN -1.00000000 RSCALE 1.33354705 DEL -0.99759376 RSCALE 1.33354705 DEL -0.93478946 RSCALE 1.32060233 DEL -0.87105069 RSCALE 1.30778326 DEL -0.80600079 RSCALE 1.29508863 DEL -0.74169815 RSCALE 1.28251722 DEL -0.67294791 RSCALE 1.27006785 DEL -0.59903397 RSCALE 1.25773932 DEL -0.52466847 RSCALE 1.24553046 DEL -0.44680217 RSCALE 1.23344012 DEL -0.36486751 RSCALE 1.22146713 DEL -0.27822367 RSCALE 1.20961037 DEL -0.18613841 RSCALE 1.19786870 DEL -0.08776533 RSCALE 1.18624100 DEL 0.00701241 RSCALE 1.17586715 DEL -0.00024925 RSCALE 1.17663469 DEL -0.00000069 RSCALE 1.17660834 DEL 0.00000000 RSCALE 1.17660827 CNORM= 9.98227E-01 0.1000 -1.706E-02 X I 0.2000 1.408E-02 I X 0.3000 2.459E-02 I X 0.4000 5.706E-03 IX 0.5000 -1.868E-02 X I 0.6000 -3.471E-02 X I 0.7000 -3.922E-02 X I 0.8000 -3.411E-02 X I 0.9000 -2.267E-02 X I 1.0000 -7.970E-03 X I 1.1000 7.674E-03 I X 1.2000 2.270E-02 I X 1.3000 3.617E-02 I X 1.4000 4.758E-02 I X 1.5000 5.676E-02 I X 1.6000 6.370E-02 I X 1.7000 6.851E-02 I X 1.8000 7.138E-02 I X 1.9000 7.250E-02 I X 2.0000 7.208E-02 I X 2.2000 6.743E-02 I X 2.4000 5.886E-02 I X 2.6000 4.754E-02 I X 2.8000 3.438E-02 I X 3.0000 2.008E-02 I X 3.2000 5.219E-03 IX 3.4000 -9.783E-03 X I 3.6000 -2.457E-02 X I 3.8000 -3.886E-02 X I 4.0000 -5.240E-02 X I 4.2000 -6.502E-02 X I 4.4000 -7.653E-02 X I 4.6000 -8.681E-02 X I 4.8000 -9.576E-02 X I 5.0000 -1.033E-01 X I 5.2000 -1.095E-01 X I 5.4000 -1.141E-01 X I 5.6000 -1.173E-01 X I 5.8000 -1.191E-01 X I 6.0000 -1.195E-01 X I 6.2000 -1.186E-01 X I 6.4000 -1.164E-01 X I 6.6000 -1.129E-01 X I 6.8000 -1.084E-01 X I 7.0000 -1.027E-01 X I 7.2000 -9.615E-02 X I 7.4000 -8.871E-02 X I 7.6000 -8.049E-02 X I 7.8000 -7.159E-02 X I 8.0000 -6.210E-02 X I 8.2000 -5.213E-02 X I 8.4000 -4.175E-02 X I 8.6000 -3.107E-02 X I 8.8000 -2.015E-02 X I 9.0000 -9.102E-03 X I 9.2000 2.012E-03 X 9.4000 1.311E-02 I X 9.6000 2.413E-02 I X 9.8000 3.500E-02 I X 10.0000 4.565E-02 I X 10.4000 6.610E-02 I X 10.8000 8.508E-02 I X 11.2000 1.022E-01 I X 11.6000 1.174E-01 I X 12.0000 1.302E-01 I X 12.4000 1.407E-01 I X 12.8000 1.487E-01 I X 13.2000 1.543E-01 I X 13.6000 1.574E-01 I X 14.0000 1.581E-01 I X 14.4000 1.565E-01 I X 14.8000 1.527E-01 I X 15.2000 1.470E-01 I X 15.6000 1.393E-01 I X 16.0000 1.300E-01 I X 16.4000 1.192E-01 I X 16.8000 1.070E-01 I X 17.2000 9.366E-02 I X 17.6000 7.938E-02 I X 18.0000 6.432E-02 I X 18.4000 4.865E-02 I X 18.8000 3.253E-02 I X 19.2000 1.614E-02 I X 19.6000 -3.879E-04 X 20.0000 -1.691E-02 X I 20.5000 -3.738E-02 X I 21.0000 -5.742E-02 X I 21.5000 -7.685E-02 X I 22.0000 -9.549E-02 X I 22.5000 -1.132E-01 X I 23.0000 -1.299E-01 X I 23.5000 -1.455E-01 X I 24.0000 -1.598E-01 X I 24.5000 -1.729E-01 X I 25.0000 -1.848E-01 X I 25.5000 -1.953E-01 X I 26.0000 -2.046E-01 X I 26.5000 -2.126E-01 X I 27.0000 -2.194E-01 X I 27.5000 -2.250E-01 X I 28.0000 -2.294E-01 X I 28.5000 -2.327E-01 X I 29.0000 -2.350E-01 X I 29.5000 -2.363E-01 X I 30.0000 -2.367E-01 X I 31.0000 -2.349E-01 X I 32.0000 -2.302E-01 X I 33.0000 -2.232E-01 X I 34.0000 -2.142E-01 X I 35.0000 -2.038E-01 X I 36.0000 -1.925E-01 X I 37.0000 -1.804E-01 X I 38.0000 -1.681E-01 X I 39.0000 -1.556E-01 X I 40.0000 -1.433E-01 X I 41.0000 -1.313E-01 X I 42.0000 -1.197E-01 X I 43.0000 -1.087E-01 X I 44.0000 -9.824E-02 X I 45.0000 -8.849E-02 X I 46.0000 -7.942E-02 X I 47.0000 -7.103E-02 X I 48.0000 -6.333E-02 X I 49.0000 -5.630E-02 X I 50.0000 -4.990E-02 X I 51.0000 -4.411E-02 X I 52.0000 -3.890E-02 X I 53.0000 -3.422E-02 X I 54.0000 -3.003E-02 X I 55.0000 -2.629E-02 X I 56.0000 -2.297E-02 X I 57.0000 -2.003E-02 X I 58.0000 -1.744E-02 X I 59.0000 -1.515E-02 X I 60.0000 -1.314E-02 X I 62.0000 -9.831E-03 X I 64.0000 -7.310E-03 X I 66.0000 -5.405E-03 XI 68.0000 -3.974E-03 XI 70.0000 -2.908E-03 XI 9s d9 5s d9 5s9s A 99495.2 90995.2 FIXEDHF 8500. HF 9s d9 5s d9 5s9s A 99495.2 90995.2 FIXEDHF 8500. HF 0.000 0.000 0.000 0.000 10 47.00 CONFIG=d9 5s9s d9 5s L=0 ELIM= 94783.100 N= 9 E= 90995.200HF E= -0.03451789 Z=1.0000 L=0.0000 STEP=-.1000 NUM= 11100 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 8 NUMR10925 NUMS10925 NUML11099 RS 17.642 RL 0.250 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 DEL -0.99715214 RSCALE 1.33273057 RMAX 1.34579418 RMIN -1.00000000 RSCALE 1.33926237 RMAX 1.33926237 RMIN -1.00000000 RSCALE 1.33599647 RMAX 1.33599647 RMIN -1.00000000 RSCALE 1.33436352 RMAX 1.33436352 RMIN -1.00000000 RSCALE 1.33354705 RMAX 1.33354705 RMIN -1.00000000 RSCALE 1.33313881 DEL -0.99910959 RSCALE 1.33313881 DEL -0.93643470 RSCALE 1.32019805 DEL -0.87283775 RSCALE 1.30738291 DEL -0.81024866 RSCALE 1.29469216 DEL -0.74375273 RSCALE 1.28212461 DEL -0.67272019 RSCALE 1.26967904 DEL -0.60156495 RSCALE 1.25735429 DEL -0.52744685 RSCALE 1.24514917 DEL -0.44986179 RSCALE 1.23306252 DEL -0.36824855 RSCALE 1.22109320 DEL -0.28197410 RSCALE 1.20924007 DEL -0.19031577 RSCALE 1.19750200 DEL -0.09243905 RSCALE 1.18587786 DEL 0.00756760 RSCALE 1.17489952 DEL -0.00028349 RSCALE 1.17573026 DEL -0.00000085 RSCALE 1.17570027 DEL 0.00000000 RSCALE 1.17570018 CNORM= 9.99292E-01 0.1000 -1.251E-02 X I 0.2000 1.032E-02 I X 0.3000 1.803E-02 I X 0.4000 4.205E-03 IX 0.5000 -1.366E-02 X I 0.6000 -2.543E-02 X I 0.7000 -2.876E-02 X I 0.8000 -2.503E-02 X I 0.9000 -1.666E-02 X I 1.0000 -5.890E-03 X I 1.1000 5.573E-03 I X 1.2000 1.659E-02 I X 1.3000 2.646E-02 I X 1.4000 3.483E-02 I X 1.5000 4.156E-02 I X 1.6000 4.664E-02 I X 1.7000 5.017E-02 I X 1.8000 5.225E-02 I X 1.9000 5.306E-02 I X 2.0000 5.273E-02 I X 2.2000 4.925E-02 I X 2.4000 4.288E-02 I X 2.6000 3.447E-02 I X 2.8000 2.471E-02 I X 3.0000 1.412E-02 I X 3.2000 3.121E-03 IX 3.4000 -7.967E-03 X I 3.6000 -1.888E-02 X I 3.8000 -2.938E-02 X I 4.0000 -3.931E-02 X I 4.2000 -4.851E-02 X I 4.4000 -5.686E-02 X I 4.6000 -6.425E-02 X I 4.8000 -7.061E-02 X I 5.0000 -7.590E-02 X I 5.2000 -8.008E-02 X I 5.4000 -8.314E-02 X I 5.6000 -8.508E-02 X I 5.8000 -8.593E-02 X I 6.0000 -8.571E-02 X I 6.2000 -8.446E-02 X I 6.4000 -8.225E-02 X I 6.6000 -7.912E-02 X I 6.8000 -7.514E-02 X I 7.0000 -7.038E-02 X I 7.2000 -6.491E-02 X I 7.4000 -5.881E-02 X I 7.6000 -5.216E-02 X I 7.8000 -4.503E-02 X I 8.0000 -3.750E-02 X I 8.2000 -2.965E-02 X I 8.4000 -2.155E-02 X I 8.6000 -1.327E-02 X I 8.8000 -4.891E-03 XI 9.0000 3.529E-03 IX 9.2000 1.192E-02 I X 9.4000 2.023E-02 I X 9.6000 2.839E-02 I X 9.8000 3.636E-02 I X 10.0000 4.408E-02 I X 10.4000 5.860E-02 I X 10.8000 7.165E-02 I X 11.2000 8.298E-02 I X 11.6000 9.240E-02 I X 12.0000 9.979E-02 I X 12.4000 1.051E-01 I X 12.8000 1.082E-01 I X 13.2000 1.093E-01 I X 13.6000 1.083E-01 I X 14.0000 1.053E-01 I X 14.4000 1.006E-01 I X 14.8000 9.412E-02 I X 15.2000 8.617E-02 I X 15.6000 7.687E-02 I X 16.0000 6.642E-02 I X 16.4000 5.502E-02 I X 16.8000 4.284E-02 I X 17.2000 3.008E-02 I X 17.6000 1.693E-02 I X 18.0000 3.560E-03 IX 18.4000 -9.852E-03 X I 18.8000 -2.315E-02 X I 19.2000 -3.618E-02 X I 19.6000 -4.881E-02 X I 20.0000 -6.091E-02 X I 20.5000 -7.513E-02 X I 21.0000 -8.817E-02 X I 21.5000 -9.987E-02 X I 22.0000 -1.101E-01 X I 22.5000 -1.188E-01 X I 23.0000 -1.259E-01 X I 23.5000 -1.313E-01 X I 24.0000 -1.351E-01 X I 24.5000 -1.372E-01 X I 25.0000 -1.377E-01 X I 25.5000 -1.367E-01 X I 26.0000 -1.341E-01 X I 26.5000 -1.302E-01 X I 27.0000 -1.249E-01 X I 27.5000 -1.183E-01 X I 28.0000 -1.107E-01 X I 28.5000 -1.020E-01 X I 29.0000 -9.237E-02 X I 29.5000 -8.197E-02 X I 30.0000 -7.090E-02 X I 31.0000 -4.714E-02 X I 32.0000 -2.197E-02 X I 33.0000 3.822E-03 IX 34.0000 2.952E-02 I X 35.0000 5.452E-02 I X 36.0000 7.828E-02 I X 37.0000 1.004E-01 I X 38.0000 1.206E-01 I X 39.0000 1.386E-01 I X 40.0000 1.543E-01 I X 41.0000 1.676E-01 I X 42.0000 1.785E-01 I X 43.0000 1.871E-01 I X 44.0000 1.934E-01 I X 45.0000 1.976E-01 I X 46.0000 1.999E-01 I X 47.0000 2.004E-01 I X 48.0000 1.992E-01 I X 49.0000 1.967E-01 I X 50.0000 1.929E-01 I X 51.0000 1.880E-01 I X 52.0000 1.823E-01 I X 53.0000 1.758E-01 I X 54.0000 1.688E-01 I X 55.0000 1.613E-01 I X 56.0000 1.536E-01 I X 57.0000 1.456E-01 I X 58.0000 1.376E-01 I X 59.0000 1.296E-01 I X 60.0000 1.216E-01 I X 62.0000 1.063E-01 I X 64.0000 9.181E-02 I X 66.0000 7.855E-02 I X 68.0000 6.662E-02 I X 70.0000 5.603E-02 I X 72.0000 4.678E-02 I X 74.0000 3.878E-02 I X 76.0000 3.195E-02 I X 78.0000 2.616E-02 I X 80.0000 2.131E-02 I X 82.0000 1.726E-02 I X 84.0000 1.392E-02 I X 86.0000 1.117E-02 I X 88.0000 8.926E-03 I X 90.0000 7.105E-03 I X 92.0000 5.633E-03 I X 94.0000 4.450E-03 IX 96.0000 3.503E-03 IX 98.0000 2.749E-03 IX 100.0000 2.151E-03 IX 6s d8s2 d8s2 6s B 148680.7 137180.7 FIXEDHF 11500. HF 6s d8s2 d8s2 6s B 148680.7 137180.7 FIXEDHF 11500. HF 0.000 0.000 0.000 0.000 11 47.00 CONFIG=d8s2 6s d8s2 L=0 ELIM= 159186.700 N= 6 E= 137180.700HF E= -0.20053344 Z=1.0000 L=0.0000 STEP=-.1000 NUM= 4300 NSAVE= 4300 IRREG=0 IFITER=99 NNODES= 5 NUMR 4125 NUMS 4125 NUML 4299 RS 17.642 RL 0.250 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 DEL -0.93103208 RSCALE 1.41389386 DEL -0.99021333 RSCALE 1.42775304 DEL -0.93103157 RSCALE 1.41389386 DEL -0.87109559 RSCALE 1.40016922 DEL -0.81003509 RSCALE 1.38657780 DEL -0.74747387 RSCALE 1.37311831 DEL -0.68489800 RSCALE 1.35978947 DEL -0.61626317 RSCALE 1.34659001 DEL -0.54675287 RSCALE 1.33351868 DEL -0.47399973 RSCALE 1.32057424 DEL -0.39745680 RSCALE 1.30775544 DEL -0.31986028 RSCALE 1.29506108 DEL -0.23399129 RSCALE 1.28248994 DEL -0.13843147 RSCALE 1.27004083 DEL -0.03952232 RSCALE 1.25771257 DEL 0.00247028 RSCALE 1.25278641 DEL -0.00004210 RSCALE 1.25307620 DEL -0.00000004 RSCALE 1.25307134 DEL 0.00000000 RSCALE 1.25307134 CNORM= 9.81611E-01 0.1000 -4.400E-02 X I 0.2000 3.848E-02 I X 0.3000 6.140E-02 I X 0.4000 7.526E-03 IX 0.5000 -5.587E-02 X I 0.6000 -9.253E-02 X I 0.7000 -9.642E-02 X I 0.8000 -7.497E-02 X I 0.9000 -3.852E-02 X I 1.0000 3.989E-03 IX 1.1000 4.623E-02 I X 1.2000 8.428E-02 I X 1.3000 1.161E-01 I X 1.4000 1.407E-01 I X 1.5000 1.583E-01 I X 1.6000 1.692E-01 I X 1.7000 1.741E-01 I X 1.8000 1.737E-01 I X 1.9000 1.689E-01 I X 2.0000 1.604E-01 I X 2.2000 1.348E-01 I X 2.4000 1.012E-01 I X 2.6000 6.309E-02 I X 2.8000 2.263E-02 I X 3.0000 -1.853E-02 X I 3.2000 -5.928E-02 X I 3.4000 -9.884E-02 X I 3.6000 -1.367E-01 X I 3.8000 -1.725E-01 X I 4.0000 -2.059E-01 X I 4.2000 -2.369E-01 X I 4.4000 -2.652E-01 X I 4.6000 -2.909E-01 X I 4.8000 -3.138E-01 X I 5.0000 -3.340E-01 X I 5.2000 -3.516E-01 X I 5.4000 -3.666E-01 X I 5.6000 -3.790E-01 X I 5.8000 -3.891E-01 X I 6.0000 -3.970E-01 X I 6.2000 -4.028E-01 X I 6.4000 -4.065E-01 X I 6.6000 -4.085E-01 X I 6.8000 -4.088E-01 X I 7.0000 -4.076E-01 X I 7.2000 -4.049E-01 X I 7.4000 -4.011E-01 X I 7.6000 -3.961E-01 X I 7.8000 -3.901E-01 X I 8.0000 -3.832E-01 X I 8.2000 -3.756E-01 X I 8.4000 -3.673E-01 X I 8.6000 -3.585E-01 X I 8.8000 -3.492E-01 X I 9.0000 -3.395E-01 X I 9.2000 -3.296E-01 X I 9.4000 -3.194E-01 X I 9.6000 -3.091E-01 X I 9.8000 -2.986E-01 X I 10.0000 -2.882E-01 X I 10.4000 -2.673E-01 X I 10.8000 -2.467E-01 X I 11.2000 -2.268E-01 X I 11.6000 -2.076E-01 X I 12.0000 -1.894E-01 X I 12.4000 -1.722E-01 X I 12.8000 -1.561E-01 X I 13.2000 -1.411E-01 X I 13.6000 -1.272E-01 X I 14.0000 -1.143E-01 X I 14.4000 -1.026E-01 X I 14.8000 -9.181E-02 X I 15.2000 -8.201E-02 X I 15.6000 -7.312E-02 X I 16.0000 -6.507E-02 X I 16.4000 -5.781E-02 X I 16.8000 -5.127E-02 X I 17.2000 -4.541E-02 X I 17.6000 -4.015E-02 X I 18.0000 -3.546E-02 X I 18.4000 -3.127E-02 X I 18.8000 -2.754E-02 X I 19.2000 -2.423E-02 X I 19.6000 -2.129E-02 X I 20.0000 -1.869E-02 X I 20.5000 -1.586E-02 X I 21.0000 -1.343E-02 X I 21.5000 -1.136E-02 X I 22.0000 -9.596E-03 XI 22.5000 -8.095E-03 XI 23.0000 -6.819E-03 XI 23.5000 -5.738E-03 XI 24.0000 -4.823E-03 XI 4d d9 5d d10 5d C 49065.2 43631.7 0. 4d d9 5d d10 5d C 49065.2 43631.7 0. 0.000 0.000 0.000 0.000 12 47.00 CONFIG=d10 5d d9 5d L=2 ELIM= 190526.800 N= 4 E= 49065.200 E= -1.28909302 Z=1.0000 L=2.0000 STEP=-.1000 NUM= 1700 NSAVE= 1700 IRREG=0 IFITER=99 NNODES= 1 NUMR 1525 NUMS 1525 NUML 1686 RS 17.642 RL 1.500 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 RMAX 1.33273057 RMIN -1.00000000 RSCALE 1.29391318 RMAX 1.29391318 RMIN -1.00000000 RSCALE 1.25622639 RMAX 1.25622639 RMIN -1.00000000 RSCALE 1.21963727 RMAX 1.21963727 RMIN -1.00000000 RSCALE 1.18411385 DEL 4.70454206 RSCALE 1.18411385 DEL 2.71780900 RSCALE 1.17261968 DEL 1.55318820 RSCALE 1.16123707 DEL 0.79033780 RSCALE 1.14996496 DEL 0.25351646 RSCALE 1.13880227 DEL 0.05067296 RSCALE 1.13353064 DEL 0.00401683 RSCALE 1.13221371 DEL 0.00006924 RSCALE 1.13210033 DEL 0.00000002 RSCALE 1.13209834 DEL 0.00000000 RSCALE 1.13209834 CNORM= 1.45587E+00 0.1000 2.457E-01 I X 0.2000 4.926E-01 I X 0.3000 3.619E-01 I X 0.4000 2.915E-02 I X 0.5000 -3.227E-01 X I 0.6000 -6.072E-01 X I 0.7000 -8.027E-01 X I 0.8000 -9.169E-01 X I 0.9000 -9.673E-01 X I 1.0000 -9.715E-01 X I 1.1000 -9.445E-01 X I 1.2000 -8.979E-01 X I 1.3000 -8.401E-01 X I 1.4000 -7.770E-01 X I 1.5000 -7.125E-01 X I 1.6000 -6.492E-01 X I 1.7000 -5.888E-01 X I 1.8000 -5.320E-01 X I 1.9000 -4.795E-01 X I 2.0000 -4.313E-01 X I 2.2000 -3.475E-01 X I 2.4000 -2.792E-01 X I 2.6000 -2.241E-01 X I 2.8000 -1.798E-01 X I 3.0000 -1.444E-01 X I 3.2000 -1.160E-01 X I 3.4000 -9.335E-02 X I 3.6000 -7.519E-02 X I 3.8000 -6.062E-02 X I 4.0000 -4.891E-02 X I 4.2000 -3.950E-02 X I 4.4000 -3.192E-02 X I 4.6000 -2.580E-02 XI 4.8000 -2.086E-02 XI 5.0000 -1.687E-02 XI 5.2000 -1.365E-02 XI 5.4000 -1.104E-02 XI 5d d10 d10 5d C 49065.2 43631.7 0. 5d d10 d10 5d C 49065.2 43631.7 0. 0.000 0.000 0.000 0.000 12 47.00 CONFIG=d10 5d d10 L=2 ELIM= 64089.600 N= 5 E= 49065.200 E= -0.13691241 Z=1.0000 L=2.0000 STEP=-.1000 NUM= 5300 NSAVE= 5300 IRREG=0 IFITER=99 NNODES= 2 NUMR 5125 NUMS 5125 NUML 5286 RS 17.642 RL 1.500 DEL -0.77621077 RSCALE 1.50000000 DEL -0.82657313 RSCALE 1.51470320 DEL -0.77621351 RSCALE 1.50000000 DEL -0.71841814 RSCALE 1.48543952 DEL -0.65247924 RSCALE 1.47102038 DEL -0.57750576 RSCALE 1.45674121 DEL -0.49238674 RSCALE 1.44260065 DEL -0.39574194 RSCALE 1.42859734 DEL -0.28585519 RSCALE 1.41472997 DEL -0.16058396 RSCALE 1.40099721 DEL -0.01723843 RSCALE 1.38739775 DEL 0.00147747 RSCALE 1.38576231 DEL -0.00001212 RSCALE 1.38589141 DEL -0.00000001 RSCALE 1.38589036 CNORM= 1.25728E+00 0.1000 4.686E-02 I X 0.2000 7.947E-02 I X 0.3000 3.203E-02 I X 0.4000 -4.122E-02 X I 0.5000 -9.707E-02 X I 0.6000 -1.218E-01 X I 0.7000 -1.179E-01 X I 0.8000 -9.344E-02 X I 0.9000 -5.673E-02 X I 1.0000 -1.426E-02 X I 1.1000 2.944E-02 I X 1.2000 7.150E-02 I X 1.3000 1.103E-01 I X 1.4000 1.451E-01 I X 1.5000 1.755E-01 I X 1.6000 2.019E-01 I X 1.7000 2.244E-01 I X 1.8000 2.434E-01 I X 1.9000 2.593E-01 I X 2.0000 2.726E-01 I X 2.2000 2.927E-01 I X 2.4000 3.063E-01 I X 2.6000 3.155E-01 I X 2.8000 3.216E-01 I X 3.0000 3.258E-01 I X 3.2000 3.287E-01 I X 3.4000 3.308E-01 I X 3.6000 3.325E-01 I X 3.8000 3.339E-01 I X 4.0000 3.352E-01 I X 4.2000 3.363E-01 I X 4.4000 3.372E-01 I X 4.6000 3.380E-01 I X 4.8000 3.386E-01 I X 5.0000 3.389E-01 I X 5.2000 3.390E-01 I X 5.4000 3.386E-01 I X 5.6000 3.379E-01 I X 5.8000 3.368E-01 I X 6.0000 3.353E-01 I X 6.2000 3.334E-01 I X 6.4000 3.311E-01 I X 6.6000 3.284E-01 I X 6.8000 3.254E-01 I X 7.0000 3.220E-01 I X 7.2000 3.182E-01 I X 7.4000 3.142E-01 I X 7.6000 3.098E-01 I X 7.8000 3.052E-01 I X 8.0000 3.003E-01 I X 8.2000 2.952E-01 I X 8.4000 2.898E-01 I X 8.6000 2.843E-01 I X 8.8000 2.786E-01 I X 9.0000 2.728E-01 I X 9.2000 2.668E-01 I X 9.4000 2.608E-01 I X 9.6000 2.546E-01 I X 9.8000 2.484E-01 I X 10.0000 2.422E-01 I X 10.4000 2.296E-01 I X 10.8000 2.170E-01 I X 11.2000 2.045E-01 I X 11.6000 1.923E-01 I X 12.0000 1.803E-01 I X 12.4000 1.686E-01 I X 12.8000 1.574E-01 I X 13.2000 1.466E-01 I X 13.6000 1.362E-01 I X 14.0000 1.263E-01 I X 14.4000 1.170E-01 I X 14.8000 1.081E-01 I X 15.2000 9.975E-02 I X 15.6000 9.188E-02 I X 16.0000 8.451E-02 I X 16.4000 7.762E-02 I X 16.8000 7.118E-02 I X 17.2000 6.520E-02 I X 17.6000 5.964E-02 I X 18.0000 5.449E-02 I X 18.4000 4.972E-02 I X 18.8000 4.532E-02 I X 19.2000 4.126E-02 I X 19.6000 3.753E-02 I X 20.0000 3.410E-02 I X 20.5000 3.021E-02 I X 21.0000 2.672E-02 I X 21.5000 2.360E-02 I X 22.0000 2.082E-02 I X 22.5000 1.835E-02 I X 23.0000 1.614E-02 I X 23.5000 1.419E-02 I X 24.0000 1.246E-02 I X 24.5000 1.093E-02 I X 25.0000 9.573E-03 I X 25.5000 8.378E-03 IX 26.0000 7.326E-03 IX 26.5000 6.400E-03 IX 27.0000 5.586E-03 IX 27.5000 4.871E-03 IX 28.0000 4.244E-03 IX 28.5000 3.695E-03 IX 6d d10 d10 6d D 54231.7 49162.9 0. 6d d10 d10 6d D 54231.7 49162.9 0. 0.000 0.000 0.000 0.000 13 47.00 CONFIG=d10 6d d10 L=2 ELIM= 64089.600 N= 6 E= 54231.700 E= -0.08983180 Z=1.0000 L=2.0000 STEP=-.1000 NUM= 6600 NSAVE= 6600 IRREG=0 IFITER=99 NNODES= 3 NUMR 6425 NUMS 6425 NUML 6586 RS 17.642 RL 1.500 DEL -0.56765991 RSCALE 1.50000000 DEL -0.64841128 RSCALE 1.51470320 DEL -0.56766090 RSCALE 1.50000000 DEL -0.47725199 RSCALE 1.48543952 DEL -0.37585624 RSCALE 1.47102038 DEL -0.26185967 RSCALE 1.45674121 DEL -0.13329123 RSCALE 1.44260065 DEL 0.01227190 RSCALE 1.42859734 DEL -0.00078336 RSCALE 1.42977791 DEL -0.00000428 RSCALE 1.42970707 DEL -0.00000122 RSCALE 1.42970668 DEL 0.00000173 RSCALE 1.42970653 DEL 0.00000072 RSCALE 1.42970662 DEL 0.00000000 RSCALE 1.42970668 CNORM= 9.94734E-01 0.1000 3.483E-02 I X 0.2000 5.759E-02 I X 0.3000 2.033E-02 I X 0.4000 -3.431E-02 X I 0.5000 -7.363E-02 X I 0.6000 -8.814E-02 X I 0.7000 -8.081E-02 X I 0.8000 -5.855E-02 X I 0.9000 -2.804E-02 X I 1.0000 5.575E-03 IX 1.1000 3.885E-02 I X 1.2000 6.970E-02 I X 1.3000 9.705E-02 I X 1.4000 1.205E-01 I X 1.5000 1.399E-01 I X 1.6000 1.557E-01 I X 1.7000 1.680E-01 I X 1.8000 1.774E-01 I X 1.9000 1.841E-01 I X 2.0000 1.886E-01 I X 2.2000 1.922E-01 I X 2.4000 1.904E-01 I X 2.6000 1.849E-01 I X 2.8000 1.768E-01 I X 3.0000 1.670E-01 I X 3.2000 1.559E-01 I X 3.4000 1.441E-01 I X 3.6000 1.316E-01 I X 3.8000 1.187E-01 I X 4.0000 1.054E-01 I X 4.2000 9.186E-02 I X 4.4000 7.808E-02 I X 4.6000 6.411E-02 I X 4.8000 4.997E-02 I X 5.0000 3.570E-02 I X 5.2000 2.133E-02 I X 5.4000 6.896E-03 IX 5.6000 -7.558E-03 XI 5.8000 -2.199E-02 X I 6.0000 -3.635E-02 X I 6.2000 -5.060E-02 X I 6.4000 -6.470E-02 X I 6.6000 -7.860E-02 X I 6.8000 -9.226E-02 X I 7.0000 -1.056E-01 X I 7.2000 -1.187E-01 X I 7.4000 -1.315E-01 X I 7.6000 -1.438E-01 X I 7.8000 -1.558E-01 X I 8.0000 -1.673E-01 X I 8.2000 -1.784E-01 X I 8.4000 -1.891E-01 X I 8.6000 -1.992E-01 X I 8.8000 -2.089E-01 X I 9.0000 -2.180E-01 X I 9.2000 -2.267E-01 X I 9.4000 -2.348E-01 X I 9.6000 -2.425E-01 X I 9.8000 -2.496E-01 X I 10.0000 -2.562E-01 X I 10.4000 -2.678E-01 X I 10.8000 -2.774E-01 X I 11.2000 -2.851E-01 X I 11.6000 -2.909E-01 X I 12.0000 -2.950E-01 X I 12.4000 -2.974E-01 X I 12.8000 -2.982E-01 X I 13.2000 -2.977E-01 X I 13.6000 -2.958E-01 X I 14.0000 -2.927E-01 X I 14.4000 -2.887E-01 X I 14.8000 -2.836E-01 X I 15.2000 -2.778E-01 X I 15.6000 -2.713E-01 X I 16.0000 -2.641E-01 X I 16.4000 -2.565E-01 X I 16.8000 -2.485E-01 X I 17.2000 -2.401E-01 X I 17.6000 -2.315E-01 X I 18.0000 -2.228E-01 X I 18.4000 -2.139E-01 X I 18.8000 -2.050E-01 X I 19.2000 -1.961E-01 X I 19.6000 -1.873E-01 X I 20.0000 -1.786E-01 X I 20.5000 -1.679E-01 X I 21.0000 -1.575E-01 X I 21.5000 -1.474E-01 X I 22.0000 -1.377E-01 X I 22.5000 -1.283E-01 X I 23.0000 -1.194E-01 X I 23.5000 -1.108E-01 X I 24.0000 -1.028E-01 X I 24.5000 -9.510E-02 X I 25.0000 -8.788E-02 X I 25.5000 -8.108E-02 X I 26.0000 -7.471E-02 X I 26.5000 -6.874E-02 X I 27.0000 -6.316E-02 X I 27.5000 -5.797E-02 X I 28.0000 -5.313E-02 X I 28.5000 -4.864E-02 X I 29.0000 -4.448E-02 X I 29.5000 -4.064E-02 X I 30.0000 -3.708E-02 X I 31.0000 -3.079E-02 X I 32.0000 -2.546E-02 X I 33.0000 -2.099E-02 X I 34.0000 -1.724E-02 X I 35.0000 -1.412E-02 X I 36.0000 -1.153E-02 X I 37.0000 -9.387E-03 X I 38.0000 -7.623E-03 XI 39.0000 -6.176E-03 XI 40.0000 -4.992E-03 XI 41.0000 -4.026E-03 XI 42.0000 -3.240E-03 XI 7d d10 d10 7d E 56715.2 51670.3 0. 7d d10 d10 7d E 56715.2 51670.3 0. 0.000 0.000 0.000 0.000 14 47.00 CONFIG=d10 7d d10 L=2 ELIM= 64089.600 N= 7 E= 56715.200 E= -0.06720048 Z=1.0000 L=2.0000 STEP=-.1000 NUM= 7700 NSAVE= 7700 IRREG=0 IFITER=99 NNODES= 4 NUMR 7525 NUMS 7525 NUML 7686 RS 17.642 RL 1.500 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 DEL 0.94454716 RSCALE 1.63909050 DEL 0.98179444 RSCALE 1.62317987 DEL 0.94454725 RSCALE 1.63909050 DEL 0.89569331 RSCALE 1.65515708 DEL 0.83296530 RSCALE 1.67138116 DEL 0.75334683 RSCALE 1.68776426 DEL 0.65277775 RSCALE 1.70430795 DEL 0.52570568 RSCALE 1.72101380 DEL 0.36440850 RSCALE 1.73788341 DEL 0.15785183 RSCALE 1.75491838 DEL -0.03841982 RSCALE 1.76793660 DEL 0.00306922 RSCALE 1.76538831 DEL 0.00004787 RSCALE 1.76557682 DEL 0.00000673 RSCALE 1.76557981 DEL -0.00000110 RSCALE 1.76558030 DEL 0.00000000 RSCALE 1.76558023 CNORM= 1.00543E+00 0.1000 1.953E-02 I X 0.2000 2.716E-02 I X 0.3000 3.802E-04 X 0.4000 -2.862E-02 X I 0.5000 -4.072E-02 X I 0.6000 -3.471E-02 X I 0.7000 -1.699E-02 X I 0.8000 5.234E-03 IX 0.9000 2.662E-02 I X 1.0000 4.404E-02 I X 1.1000 5.614E-02 I X 1.2000 6.270E-02 I X 1.3000 6.420E-02 I X 1.4000 6.142E-02 I X 1.5000 5.523E-02 I X 1.6000 4.648E-02 I X 1.7000 3.590E-02 I X 1.8000 2.413E-02 I X 1.9000 1.168E-02 I X 2.0000 -1.066E-03 X 2.2000 -2.628E-02 X I 2.4000 -4.996E-02 X I 2.6000 -7.137E-02 X I 2.8000 -9.027E-02 X I 3.0000 -1.067E-01 X I 3.2000 -1.209E-01 X I 3.4000 -1.330E-01 X I 3.6000 -1.433E-01 X I 3.8000 -1.520E-01 X I 4.0000 -1.593E-01 X I 4.2000 -1.653E-01 X I 4.4000 -1.702E-01 X I 4.6000 -1.741E-01 X I 4.8000 -1.771E-01 X I 5.0000 -1.792E-01 X I 5.2000 -1.805E-01 X I 5.4000 -1.810E-01 X I 5.6000 -1.808E-01 X I 5.8000 -1.798E-01 X I 6.0000 -1.781E-01 X I 6.2000 -1.757E-01 X I 6.4000 -1.725E-01 X I 6.6000 -1.687E-01 X I 6.8000 -1.643E-01 X I 7.0000 -1.592E-01 X I 7.2000 -1.534E-01 X I 7.4000 -1.472E-01 X I 7.6000 -1.403E-01 X I 7.8000 -1.329E-01 X I 8.0000 -1.251E-01 X I 8.2000 -1.168E-01 X I 8.4000 -1.081E-01 X I 8.6000 -9.903E-02 X I 8.8000 -8.962E-02 X I 9.0000 -7.992E-02 X I 9.2000 -6.996E-02 X I 9.4000 -5.978E-02 X I 9.6000 -4.941E-02 X I 9.8000 -3.889E-02 X I 10.0000 -2.826E-02 X I 10.4000 -6.777E-03 XI 10.8000 1.478E-02 I X 11.2000 3.619E-02 I X 11.6000 5.723E-02 I X 12.0000 7.771E-02 I X 12.4000 9.748E-02 I X 12.8000 1.164E-01 I X 13.2000 1.343E-01 I X 13.6000 1.512E-01 I X 14.0000 1.669E-01 I X 14.4000 1.814E-01 I X 14.8000 1.947E-01 I X 15.2000 2.067E-01 I X 15.6000 2.175E-01 I X 16.0000 2.270E-01 I X 16.4000 2.352E-01 I X 16.8000 2.422E-01 I X 17.2000 2.481E-01 I X 17.6000 2.528E-01 I X 18.0000 2.563E-01 I X 18.4000 2.589E-01 I X 18.8000 2.605E-01 I X 19.2000 2.611E-01 I X 19.6000 2.609E-01 I X 20.0000 2.599E-01 I X 20.5000 2.576E-01 I X 21.0000 2.542E-01 I X 21.5000 2.500E-01 I X 22.0000 2.449E-01 I X 22.5000 2.391E-01 I X 23.0000 2.328E-01 I X 23.5000 2.259E-01 I X 24.0000 2.187E-01 I X 24.5000 2.112E-01 I X 25.0000 2.034E-01 I X 25.5000 1.954E-01 I X 26.0000 1.874E-01 I X 26.5000 1.793E-01 I X 27.0000 1.712E-01 I X 27.5000 1.632E-01 I X 28.0000 1.553E-01 I X 28.5000 1.475E-01 I X 29.0000 1.399E-01 I X 29.5000 1.324E-01 I X 30.0000 1.252E-01 I X 31.0000 1.114E-01 I X 32.0000 9.865E-02 I X 33.0000 8.691E-02 I X 34.0000 7.622E-02 I X 35.0000 6.656E-02 I X 36.0000 5.790E-02 I X 37.0000 5.018E-02 I X 38.0000 4.333E-02 I X 39.0000 3.730E-02 I X 40.0000 3.201E-02 I X 41.0000 2.739E-02 I X 42.0000 2.337E-02 I X 43.0000 1.989E-02 I X 44.0000 1.689E-02 I X 45.0000 1.430E-02 I X 46.0000 1.209E-02 I X 47.0000 1.019E-02 I X 48.0000 8.580E-03 I X 49.0000 7.207E-03 I X 50.0000 6.043E-03 IX 51.0000 5.057E-03 IX 52.0000 4.226E-03 IX 53.0000 3.525E-03 IX 54.0000 2.936E-03 IX 8d d10 d10 8d F 58059.2 53036.3 0. 8d d10 d10 8d F 58059.2 53036.3 0. 0.000 0.000 0.000 0.000 15 47.00 CONFIG=d10 8d d10 L=2 ELIM= 64089.600 N= 8 E= 58059.200 E= -0.05495305 Z=1.0000 L=2.0000 STEP=-.1000 NUM= 8600 NSAVE= 8600 IRREG=0 IFITER=99 NNODES= 5 NUMR 8425 NUMS 8425 NUML 8586 RS 17.642 RL 1.500 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 0.63068774 RSCALE 2.01587457 DEL 0.85682187 RSCALE 1.99630651 DEL 0.63070660 RSCALE 2.01587457 DEL 0.26482213 RSCALE 2.03563444 DEL -0.16464433 RSCALE 2.04993636 DEL 0.02350363 RSCALE 2.04445344 DEL 0.00191965 RSCALE 2.04513838 DEL -0.00003143 RSCALE 2.04519929 DEL 0.00000003 RSCALE 2.04519831 DEL 0.00000000 RSCALE 2.04519831 CNORM= 9.90460E-01 0.1000 1.533E-02 I X 0.2000 1.888E-02 I X 0.3000 -4.272E-03 XI 0.4000 -2.482E-02 X I 0.5000 -2.840E-02 X I 0.6000 -1.715E-02 X I 0.7000 1.077E-03 X 0.8000 1.923E-02 I X 0.9000 3.297E-02 I X 1.0000 4.053E-02 I X 1.1000 4.188E-02 I X 1.2000 3.795E-02 I X 1.3000 3.003E-02 I X 1.4000 1.947E-02 I X 1.5000 7.456E-03 I X 1.6000 -5.046E-03 XI 1.7000 -1.730E-02 X I 1.8000 -2.877E-02 X I 1.9000 -3.913E-02 X I 2.0000 -4.816E-02 X I 2.2000 -6.193E-02 X I 2.4000 -7.013E-02 X I 2.6000 -7.341E-02 X I 2.8000 -7.263E-02 X I 3.0000 -6.865E-02 X I 3.2000 -6.223E-02 X I 3.4000 -5.403E-02 X I 3.6000 -4.455E-02 X I 3.8000 -3.421E-02 X I 4.0000 -2.330E-02 X I 4.2000 -1.207E-02 X I 4.4000 -6.971E-04 X 4.6000 1.069E-02 I X 4.8000 2.198E-02 I X 5.0000 3.310E-02 I X 5.2000 4.399E-02 I X 5.4000 5.459E-02 I X 5.6000 6.488E-02 I X 5.8000 7.481E-02 I X 6.0000 8.435E-02 I X 6.2000 9.348E-02 I X 6.4000 1.022E-01 I X 6.6000 1.104E-01 I X 6.8000 1.181E-01 I X 7.0000 1.253E-01 I X 7.2000 1.319E-01 I X 7.4000 1.380E-01 I X 7.6000 1.435E-01 I X 7.8000 1.484E-01 I X 8.0000 1.527E-01 I X 8.2000 1.564E-01 I X 8.4000 1.594E-01 I X 8.6000 1.619E-01 I X 8.8000 1.637E-01 I X 9.0000 1.648E-01 I X 9.2000 1.654E-01 I X 9.4000 1.654E-01 I X 9.6000 1.647E-01 I X 9.8000 1.635E-01 I X 10.0000 1.617E-01 I X 10.4000 1.565E-01 I X 10.8000 1.493E-01 I X 11.2000 1.402E-01 I X 11.6000 1.293E-01 I X 12.0000 1.170E-01 I X 12.4000 1.034E-01 I X 12.8000 8.860E-02 I X 13.2000 7.293E-02 I X 13.6000 5.653E-02 I X 14.0000 3.959E-02 I X 14.4000 2.228E-02 I X 14.8000 4.779E-03 IX 15.2000 -1.276E-02 X I 15.6000 -3.020E-02 X I 16.0000 -4.741E-02 X I 16.4000 -6.427E-02 X I 16.8000 -8.066E-02 X I 17.2000 -9.651E-02 X I 17.6000 -1.117E-01 X I 18.0000 -1.262E-01 X I 18.4000 -1.400E-01 X I 18.8000 -1.529E-01 X I 19.2000 -1.650E-01 X I 19.6000 -1.763E-01 X I 20.0000 -1.866E-01 X I 20.5000 -1.983E-01 X I 21.0000 -2.085E-01 X I 21.5000 -2.174E-01 X I 22.0000 -2.249E-01 X I 22.5000 -2.311E-01 X I 23.0000 -2.360E-01 X I 23.5000 -2.397E-01 X I 24.0000 -2.423E-01 X I 24.5000 -2.437E-01 X I 25.0000 -2.442E-01 X I 25.5000 -2.437E-01 X I 26.0000 -2.423E-01 X I 26.5000 -2.401E-01 X I 27.0000 -2.373E-01 X I 27.5000 -2.337E-01 X I 28.0000 -2.296E-01 X I 28.5000 -2.250E-01 X I 29.0000 -2.199E-01 X I 29.5000 -2.145E-01 X I 30.0000 -2.088E-01 X I 31.0000 -1.965E-01 X I 32.0000 -1.836E-01 X I 33.0000 -1.704E-01 X I 34.0000 -1.572E-01 X I 35.0000 -1.441E-01 X I 36.0000 -1.315E-01 X I 37.0000 -1.193E-01 X I 38.0000 -1.078E-01 X I 39.0000 -9.704E-02 X I 40.0000 -8.697E-02 X I 41.0000 -7.766E-02 X I 42.0000 -6.910E-02 X I 43.0000 -6.129E-02 X I 44.0000 -5.419E-02 X I 45.0000 -4.777E-02 X I 46.0000 -4.200E-02 X I 47.0000 -3.682E-02 X I 48.0000 -3.221E-02 X I 49.0000 -2.810E-02 X I 50.0000 -2.447E-02 X I 51.0000 -2.125E-02 X I 52.0000 -1.843E-02 X I 53.0000 -1.594E-02 X I 54.0000 -1.377E-02 X I 55.0000 -1.187E-02 X I 56.0000 -1.021E-02 X I 57.0000 -8.774E-03 X I 58.0000 -7.526E-03 X I 59.0000 -6.445E-03 XI 60.0000 -5.512E-03 XI 62.0000 -4.014E-03 XI 64.0000 -2.908E-03 XI 9d d10 d10 9d G 58868.3 53851.6 0. 9d d10 d10 9d G 58868.3 53851.6 0. 0.000 0.000 0.000 0.000 16 47.00 CONFIG=d10 9d d10 L=2 ELIM= 64089.600 N= 9 E= 58868.300 E= -0.04757999 Z=1.0000 L=2.0000 STEP=-.1000 NUM= 9300 NSAVE= 9300 IRREG=0 IFITER=99 NNODES= 6 NUMR 9125 NUMS 9125 NUML 9286 RS 17.642 RL 1.500 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 DEL -79.61249219 RSCALE 2.20280057 DEL -33.96174179 RSCALE 2.22439272 DEL -21.87591667 RSCALE 2.24045613 DEL -13.56684078 RSCALE 2.26241738 DEL -9.10015155 RSCALE 2.28459390 DEL -6.39459340 RSCALE 2.30698780 DEL -4.62059701 RSCALE 2.32960120 DEL -3.38935266 RSCALE 2.35243626 DEL -2.49730833 RSCALE 2.37549516 DEL -1.82891673 RSCALE 2.39878008 DEL -1.31438459 RSCALE 2.42229324 DEL -0.90942422 RSCALE 2.44603689 DEL -0.58478030 RSCALE 2.47001327 DEL -0.32047112 RSCALE 2.49422467 DEL -0.10245889 RSCALE 2.51867339 DEL -0.01361816 RSCALE 2.53016352 DEL -0.00067428 RSCALE 2.53192482 DEL -0.00000470 RSCALE 2.53201657 DEL 0.00000000 RSCALE 2.53201721 CNORM= 9.88814E-01 0.1000 1.642E-02 I X 0.2000 1.696E-02 I X 0.3000 -9.896E-03 X I 0.4000 -2.740E-02 X I 0.5000 -2.262E-02 X I 0.6000 -3.424E-03 XI 0.7000 1.785E-02 I X 0.8000 3.270E-02 I X 0.9000 3.781E-02 I X 1.0000 3.363E-02 I X 1.1000 2.260E-02 I X 1.2000 7.684E-03 I X 1.3000 -8.389E-03 X I 1.4000 -2.350E-02 X I 1.5000 -3.622E-02 X I 1.6000 -4.575E-02 X I 1.7000 -5.178E-02 X I 1.8000 -5.434E-02 X I 1.9000 -5.372E-02 X I 2.0000 -5.032E-02 X I 2.2000 -3.716E-02 X I 2.4000 -1.862E-02 X I 2.6000 2.128E-03 IX 2.8000 2.274E-02 I X 3.0000 4.171E-02 I X 3.2000 5.815E-02 I X 3.4000 7.165E-02 I X 3.6000 8.213E-02 I X 3.8000 8.967E-02 I X 4.0000 9.451E-02 I X 4.2000 9.690E-02 I X 4.4000 9.715E-02 I X 4.6000 9.554E-02 I X 4.8000 9.234E-02 I X 5.0000 8.779E-02 I X 5.2000 8.210E-02 I X 5.4000 7.548E-02 I X 5.6000 6.809E-02 I X 5.8000 6.007E-02 I X 6.0000 5.155E-02 I X 6.2000 4.264E-02 I X 6.4000 3.342E-02 I X 6.6000 2.399E-02 I X 6.8000 1.441E-02 I X 7.0000 4.751E-03 IX 7.2000 -4.937E-03 XI 7.4000 -1.460E-02 X I 7.6000 -2.419E-02 X I 7.8000 -3.367E-02 X I 8.0000 -4.299E-02 X I 8.2000 -5.212E-02 X I 8.4000 -6.103E-02 X I 8.6000 -6.967E-02 X I 8.8000 -7.803E-02 X I 9.0000 -8.607E-02 X I 9.2000 -9.376E-02 X I 9.4000 -1.011E-01 X I 9.6000 -1.080E-01 X I 9.8000 -1.145E-01 X I 10.0000 -1.206E-01 X I 10.4000 -1.314E-01 X I 10.8000 -1.404E-01 X I 11.2000 -1.474E-01 X I 11.6000 -1.524E-01 X I 12.0000 -1.555E-01 X I 12.4000 -1.567E-01 X I 12.8000 -1.560E-01 X I 13.2000 -1.535E-01 X I 13.6000 -1.493E-01 X I 14.0000 -1.435E-01 X I 14.4000 -1.362E-01 X I 14.8000 -1.276E-01 X I 15.2000 -1.177E-01 X I 15.6000 -1.067E-01 X I 16.0000 -9.482E-02 X I 16.4000 -8.208E-02 X I 16.8000 -6.866E-02 X I 17.2000 -5.468E-02 X I 17.6000 -4.028E-02 X I 18.0000 -2.558E-02 X I 18.4000 -1.070E-02 X I 18.8000 4.264E-03 IX 19.2000 1.920E-02 I X 19.6000 3.401E-02 I X 20.0000 4.860E-02 I X 20.5000 6.644E-02 I X 21.0000 8.368E-02 I X 21.5000 1.002E-01 I X 22.0000 1.159E-01 I X 22.5000 1.307E-01 I X 23.0000 1.446E-01 I X 23.5000 1.575E-01 I X 24.0000 1.693E-01 I X 24.5000 1.800E-01 I X 25.0000 1.896E-01 I X 25.5000 1.982E-01 I X 26.0000 2.057E-01 I X 26.5000 2.121E-01 I X 27.0000 2.176E-01 I X 27.5000 2.220E-01 I X 28.0000 2.254E-01 I X 28.5000 2.280E-01 I X 29.0000 2.297E-01 I X 29.5000 2.306E-01 I X 30.0000 2.307E-01 I X 31.0000 2.288E-01 I X 32.0000 2.245E-01 I X 33.0000 2.181E-01 I X 34.0000 2.101E-01 I X 35.0000 2.008E-01 I X 36.0000 1.906E-01 I X 37.0000 1.797E-01 I X 38.0000 1.685E-01 I X 39.0000 1.571E-01 I X 40.0000 1.457E-01 I X 41.0000 1.345E-01 I X 42.0000 1.237E-01 I X 43.0000 1.132E-01 I X 44.0000 1.033E-01 I X 45.0000 9.387E-02 I X 46.0000 8.503E-02 I X 47.0000 7.677E-02 I X 48.0000 6.911E-02 I X 49.0000 6.203E-02 I X 50.0000 5.553E-02 I X 51.0000 4.959E-02 I X 52.0000 4.417E-02 I X 53.0000 3.925E-02 I X 54.0000 3.480E-02 I X 55.0000 3.080E-02 I X 56.0000 2.719E-02 I X 57.0000 2.397E-02 I X 58.0000 2.108E-02 I X 59.0000 1.851E-02 I X 60.0000 1.623E-02 I X 62.0000 1.241E-02 I X 64.0000 9.435E-03 I X 66.0000 7.131E-03 I X 68.0000 5.362E-03 IX 70.0000 4.012E-03 IX 72.0000 2.988E-03 IX 4d d8 5s5d d9 5s5d H 90274.5 81625.6 8500. 4d d8 5s5d d9 5s5d H 90274.5 81625.6 8500. 0.000 0.000 0.000 0.000 17 47.00 CONFIG=d9 5s5d d8 5s5d L=2 ELIM= 260582.900 N= 4 E= 90274.500 E= -1.55196441 Z=1.0000 L=2.0000 STEP=-.1000 NUM= 1500 NSAVE= 1500 IRREG=0 IFITER=99 NNODES= 1 NUMR 1325 NUMS 1325 NUML 1486 RS 17.642 RL 1.500 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 RMAX 1.33273057 RMIN -1.00000000 RSCALE 1.29391318 RMAX 1.29391318 RMIN -1.00000000 RSCALE 1.25622639 RMAX 1.25622639 RMIN -1.00000000 RSCALE 1.21963727 DEL 25.96569402 RSCALE 1.21963727 DEL 8.56133069 RSCALE 1.20779827 DEL 5.94747416 RSCALE 1.20197458 DEL 3.18365312 RSCALE 1.19030703 DEL 1.75704821 RSCALE 1.17875274 DEL 0.88798321 RSCALE 1.16731060 DEL 0.30413779 RSCALE 1.15597954 DEL 0.06859948 RSCALE 1.15007694 DEL 0.00671335 RSCALE 1.14835783 DEL 0.00016401 RSCALE 1.14817134 DEL 0.00000040 RSCALE 1.14816667 DEL 0.00000000 RSCALE 1.14816666 CNORM= 1.25213E+00 0.1000 2.587E-01 I X 0.2000 5.135E-01 I X 0.3000 3.674E-01 I X 0.4000 1.205E-02 IX 0.5000 -3.573E-01 X I 0.6000 -6.505E-01 X I 0.7000 -8.467E-01 X I 0.8000 -9.561E-01 X I 0.9000 -9.982E-01 X I 1.0000 -9.927E-01 X I 1.1000 -9.559E-01 X I 1.2000 -9.000E-01 X I 1.3000 -8.340E-01 X I 1.4000 -7.638E-01 X I 1.5000 -6.936E-01 X I 1.6000 -6.257E-01 X I 1.7000 -5.617E-01 X I 1.8000 -5.025E-01 X I 1.9000 -4.482E-01 X I 2.0000 -3.990E-01 X I 2.2000 -3.148E-01 X I 2.4000 -2.475E-01 X I 2.6000 -1.943E-01 X I 2.8000 -1.525E-01 X I 3.0000 -1.197E-01 X I 3.2000 -9.405E-02 X I 3.4000 -7.394E-02 X I 3.6000 -5.819E-02 X I 3.8000 -4.584E-02 X I 4.0000 -3.613E-02 X I 4.2000 -2.850E-02 X I 4.4000 -2.250E-02 XI 4.6000 -1.776E-02 XI 4.8000 -1.403E-02 XI 5.0000 -1.108E-02 XI 5s d9 5d d9 5s5d H 90274.5 81625.6 8500. 5s d9 5d d9 5s5d H 90274.5 81625.6 8500. 0.000 0.000 0.000 0.000 17 47.00 CONFIG=d9 5s5d d9 5d L=0 ELIM= 190526.800 N= 5 E= 90274.500 E= -0.91356622 Z=1.0000 L=0.0000 STEP=-.1000 NUM= 2000 NSAVE= 2000 IRREG=0 IFITER=99 NNODES= 4 NUMR 1825 NUMS 1825 NUML 1999 RS 17.642 RL 0.250 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 DEL -0.86728980 RSCALE 1.37271249 DEL -0.93815541 RSCALE 1.38616800 DEL -0.86728980 RSCALE 1.37271249 DEL -0.79501342 RSCALE 1.35938759 DEL -0.72075430 RSCALE 1.34619203 DEL -0.64504055 RSCALE 1.33312457 DEL -0.56383932 RSCALE 1.32018395 DEL -0.47982299 RSCALE 1.30736894 DEL -0.39105921 RSCALE 1.29467833 DEL -0.29662504 RSCALE 1.28211091 DEL -0.19815056 RSCALE 1.26966548 DEL -0.08926649 RSCALE 1.25734086 DEL 0.01127143 RSCALE 1.24723675 DEL -0.00005688 RSCALE 1.24836954 DEL -0.00000026 RSCALE 1.24836385 DEL 0.00000000 RSCALE 1.24836382 CNORM= 6.52148E-01 0.1000 -1.672E-01 X I 0.2000 1.453E-01 I X 0.3000 2.346E-01 I X 0.4000 3.262E-02 I X 0.5000 -2.082E-01 X I 0.6000 -3.513E-01 X I 0.7000 -3.729E-01 X I 0.8000 -2.995E-01 X I 0.9000 -1.687E-01 X I 1.0000 -1.285E-02 XI 1.1000 1.452E-01 I X 1.2000 2.913E-01 I X 1.3000 4.179E-01 I X 1.4000 5.221E-01 I X 1.5000 6.037E-01 I X 1.6000 6.643E-01 I X 1.7000 7.063E-01 I X 1.8000 7.321E-01 I X 1.9000 7.446E-01 I X 2.0000 7.461E-01 I X 2.2000 7.245E-01 I X 2.4000 6.817E-01 I X 2.6000 6.276E-01 I X 2.8000 5.688E-01 I X 3.0000 5.098E-01 I X 3.2000 4.530E-01 I X 3.4000 4.000E-01 I X 3.6000 3.513E-01 I X 3.8000 3.074E-01 I X 4.0000 2.680E-01 I X 4.2000 2.331E-01 I X 4.4000 2.022E-01 I X 4.6000 1.750E-01 I X 4.8000 1.512E-01 I X 5.0000 1.303E-01 I X 5.2000 1.122E-01 I X 5.4000 9.642E-02 I X 5.6000 8.274E-02 I X 5.8000 7.091E-02 I X 6.0000 6.070E-02 I X 6.2000 5.189E-02 I X 6.4000 4.432E-02 I X 6.6000 3.781E-02 I X 6.8000 3.222E-02 I X 7.0000 2.744E-02 I X 7.2000 2.335E-02 I X 7.4000 1.985E-02 IX 7.6000 1.686E-02 IX 7.8000 1.431E-02 IX 8.0000 1.214E-02 IX 8.2000 1.029E-02 IX 8.4000 8.717E-03 IX 5d d9 5s d9 5s5d H 90274.5 81625.6 8500. 5d d9 5s d9 5s5d H 90274.5 81625.6 8500. 0.000 0.000 0.000 0.000 17 47.00 CONFIG=d9 5s5d d9 5s L=2 ELIM= 105289.800 N= 5 E= 90274.500 E= -0.13682949 Z=1.0000 L=2.0000 STEP=-.1000 NUM= 5300 NSAVE= 5300 IRREG=0 IFITER=99 NNODES= 2 NUMR 5125 NUMS 5125 NUML 5286 RS 17.642 RL 1.500 DEL -0.77679682 RSCALE 1.50000000 DEL -0.82707722 RSCALE 1.51470320 DEL -0.77679956 RSCALE 1.50000000 DEL -0.71909215 RSCALE 1.48543952 DEL -0.65324891 RSCALE 1.47102038 DEL -0.57838067 RSCALE 1.45674121 DEL -0.49337873 RSCALE 1.44260065 DEL -0.39686558 RSCALE 1.42859734 DEL -0.28712833 RSCALE 1.41472997 DEL -0.16202857 RSCALE 1.40099721 DEL -0.01888163 RSCALE 1.38739775 DEL 0.00163582 RSCALE 1.38560393 DEL -0.00001476 RSCALE 1.38574695 DEL -0.00000001 RSCALE 1.38574567 DEL 0.00000000 RSCALE 1.38574567 CNORM= 1.25638E+00 0.1000 4.675E-02 I X 0.2000 7.929E-02 I X 0.3000 3.197E-02 I X 0.4000 -4.110E-02 X I 0.5000 -9.684E-02 X I 0.6000 -1.215E-01 X I 0.7000 -1.176E-01 X I 0.8000 -9.328E-02 X I 0.9000 -5.666E-02 X I 1.0000 -1.430E-02 X I 1.1000 2.930E-02 I X 1.2000 7.126E-02 I X 1.3000 1.100E-01 I X 1.4000 1.447E-01 I X 1.5000 1.751E-01 I X 1.6000 2.014E-01 I X 1.7000 2.238E-01 I X 1.8000 2.428E-01 I X 1.9000 2.587E-01 I X 2.0000 2.720E-01 I X 2.2000 2.921E-01 I X 2.4000 3.058E-01 I X 2.6000 3.149E-01 I X 2.8000 3.211E-01 I X 3.0000 3.253E-01 I X 3.2000 3.282E-01 I X 3.4000 3.304E-01 I X 3.6000 3.321E-01 I X 3.8000 3.336E-01 I X 4.0000 3.348E-01 I X 4.2000 3.360E-01 I X 4.4000 3.370E-01 I X 4.6000 3.378E-01 I X 4.8000 3.384E-01 I X 5.0000 3.388E-01 I X 5.2000 3.388E-01 I X 5.4000 3.385E-01 I X 5.6000 3.378E-01 I X 5.8000 3.368E-01 I X 6.0000 3.353E-01 I X 6.2000 3.334E-01 I X 6.4000 3.312E-01 I X 6.6000 3.285E-01 I X 6.8000 3.255E-01 I X 7.0000 3.221E-01 I X 7.2000 3.184E-01 I X 7.4000 3.143E-01 I X 7.6000 3.100E-01 I X 7.8000 3.054E-01 I X 8.0000 3.005E-01 I X 8.2000 2.954E-01 I X 8.4000 2.900E-01 I X 8.6000 2.845E-01 I X 8.8000 2.789E-01 I X 9.0000 2.730E-01 I X 9.2000 2.671E-01 I X 9.4000 2.610E-01 I X 9.6000 2.549E-01 I X 9.8000 2.487E-01 I X 10.0000 2.424E-01 I X 10.4000 2.299E-01 I X 10.8000 2.173E-01 I X 11.2000 2.048E-01 I X 11.6000 1.926E-01 I X 12.0000 1.806E-01 I X 12.4000 1.689E-01 I X 12.8000 1.577E-01 I X 13.2000 1.468E-01 I X 13.6000 1.365E-01 I X 14.0000 1.266E-01 I X 14.4000 1.172E-01 I X 14.8000 1.083E-01 I X 15.2000 9.998E-02 I X 15.6000 9.210E-02 I X 16.0000 8.472E-02 I X 16.4000 7.781E-02 I X 16.8000 7.137E-02 I X 17.2000 6.537E-02 I X 17.6000 5.980E-02 I X 18.0000 5.464E-02 I X 18.4000 4.986E-02 I X 18.8000 4.545E-02 I X 19.2000 4.138E-02 I X 19.6000 3.764E-02 I X 20.0000 3.421E-02 I X 20.5000 3.030E-02 I X 21.0000 2.681E-02 I X 21.5000 2.368E-02 I X 22.0000 2.090E-02 I X 22.5000 1.841E-02 I X 23.0000 1.620E-02 I X 23.5000 1.424E-02 I X 24.0000 1.251E-02 I X 24.5000 1.097E-02 I X 25.0000 9.611E-03 I X 25.5000 8.412E-03 IX 26.0000 7.356E-03 IX 26.5000 6.426E-03 IX 27.0000 5.609E-03 IX 27.5000 4.892E-03 IX 28.0000 4.263E-03 IX 28.5000 3.711E-03 IX 6d d9 5s d9 5s6d I 95990.2 87605.0 8500. 6d d9 5s d9 5s6d I 95990.2 87605.0 8500. 0.000 0.000 0.000 0.000 18 47.00 CONFIG=d9 5s6d d9 5s L=2 ELIM= 105289.800 N= 6 E= 95990.200 E= -0.08474420 Z=1.0000 L=2.0000 STEP=-.1000 NUM= 6800 NSAVE= 6800 IRREG=0 IFITER=99 NNODES= 3 NUMR 6625 NUMS 6625 NUML 6786 RS 17.642 RL 1.500 DEL -0.65222147 RSCALE 1.50000000 DEL -0.71974109 RSCALE 1.51470320 DEL -0.65222317 RSCALE 1.50000000 DEL -0.57630055 RSCALE 1.48543952 DEL -0.49094183 RSCALE 1.47102038 DEL -0.39488952 RSCALE 1.45674121 DEL -0.28660720 RSCALE 1.44260065 DEL -0.16420960 RSCALE 1.42859734 DEL -0.02536928 RSCALE 1.41472997 DEL 0.00215412 RSCALE 1.41219609 DEL -0.00002755 RSCALE 1.41239440 DEL 0.00000176 RSCALE 1.41239190 DEL 0.00000011 RSCALE 1.41239205 DEL 0.00000000 RSCALE 1.41239206 CNORM= 1.00860E+00 0.1000 3.636E-02 I X 0.2000 6.071E-02 I X 0.3000 2.260E-02 I X 0.4000 -3.438E-02 X I 0.5000 -7.633E-02 X I 0.6000 -9.302E-02 X I 0.7000 -8.711E-02 X I 0.8000 -6.545E-02 X I 0.9000 -3.480E-02 X I 1.0000 -4.219E-04 X 1.1000 3.411E-02 I X 1.2000 6.659E-02 I X 1.3000 9.583E-02 I X 1.4000 1.213E-01 I X 1.5000 1.429E-01 I X 1.6000 1.609E-01 I X 1.7000 1.755E-01 I X 1.8000 1.871E-01 I X 1.9000 1.960E-01 I X 2.0000 2.027E-01 I X 2.2000 2.104E-01 I X 2.4000 2.126E-01 I X 2.6000 2.108E-01 I X 2.8000 2.063E-01 I X 3.0000 1.998E-01 I X 3.2000 1.919E-01 I X 3.4000 1.831E-01 I X 3.6000 1.736E-01 I X 3.8000 1.634E-01 I X 4.0000 1.528E-01 I X 4.2000 1.418E-01 I X 4.4000 1.304E-01 I X 4.6000 1.187E-01 I X 4.8000 1.067E-01 I X 5.0000 9.429E-02 I X 5.2000 8.164E-02 I X 5.4000 6.874E-02 I X 5.6000 5.562E-02 I X 5.8000 4.231E-02 I X 6.0000 2.887E-02 I X 6.2000 1.534E-02 I X 6.4000 1.754E-03 X 6.6000 -1.184E-02 X I 6.8000 -2.539E-02 X I 7.0000 -3.886E-02 X I 7.2000 -5.221E-02 X I 7.4000 -6.540E-02 X I 7.6000 -7.839E-02 X I 7.8000 -9.114E-02 X I 8.0000 -1.036E-01 X I 8.2000 -1.158E-01 X I 8.4000 -1.277E-01 X I 8.6000 -1.392E-01 X I 8.8000 -1.504E-01 X I 9.0000 -1.611E-01 X I 9.2000 -1.715E-01 X I 9.4000 -1.814E-01 X I 9.6000 -1.909E-01 X I 9.8000 -1.999E-01 X I 10.0000 -2.085E-01 X I 10.4000 -2.243E-01 X I 10.8000 -2.383E-01 X I 11.2000 -2.503E-01 X I 11.6000 -2.605E-01 X I 12.0000 -2.690E-01 X I 12.4000 -2.757E-01 X I 12.8000 -2.807E-01 X I 13.2000 -2.842E-01 X I 13.6000 -2.862E-01 X I 14.0000 -2.868E-01 X I 14.4000 -2.862E-01 X I 14.8000 -2.844E-01 X I 15.2000 -2.816E-01 X I 15.6000 -2.778E-01 X I 16.0000 -2.732E-01 X I 16.4000 -2.679E-01 X I 16.8000 -2.619E-01 X I 17.2000 -2.554E-01 X I 17.6000 -2.484E-01 X I 18.0000 -2.410E-01 X I 18.4000 -2.334E-01 X I 18.8000 -2.255E-01 X I 19.2000 -2.174E-01 X I 19.6000 -2.092E-01 X I 20.0000 -2.010E-01 X I 20.5000 -1.907E-01 X I 21.0000 -1.805E-01 X I 21.5000 -1.704E-01 X I 22.0000 -1.605E-01 X I 22.5000 -1.508E-01 X I 23.0000 -1.415E-01 X I 23.5000 -1.325E-01 X I 24.0000 -1.238E-01 X I 24.5000 -1.155E-01 X I 25.0000 -1.075E-01 X I 25.5000 -9.996E-02 X I 26.0000 -9.279E-02 X I 26.5000 -8.601E-02 X I 27.0000 -7.961E-02 X I 27.5000 -7.359E-02 X I 28.0000 -6.794E-02 X I 28.5000 -6.264E-02 X I 29.0000 -5.769E-02 X I 29.5000 -5.306E-02 X I 30.0000 -4.875E-02 X I 31.0000 -4.103E-02 X I 32.0000 -3.439E-02 X I 33.0000 -2.872E-02 X I 34.0000 -2.390E-02 X I 35.0000 -1.982E-02 X I 36.0000 -1.639E-02 X I 37.0000 -1.351E-02 X I 38.0000 -1.111E-02 X I 39.0000 -9.108E-03 X I 40.0000 -7.451E-03 XI 41.0000 -6.081E-03 XI 42.0000 -4.952E-03 XI 43.0000 -4.024E-03 XI 44.0000 -3.263E-03 XI 7d d9 5s d9 5s7d J 98572.8 90249.3 8500. 7d d9 5s d9 5s7d J 98572.8 90249.3 8500. 0.000 0.000 0.000 0.000 19 47.00 CONFIG=d9 5s7d d9 5s L=2 ELIM= 105289.800 N= 7 E= 98572.800 E= -0.06120981 Z=1.0000 L=2.0000 STEP=-.1000 NUM= 8100 NSAVE= 8100 IRREG=0 IFITER=99 NNODES= 4 NUMR 7925 NUMS 7925 NUML 8086 RS 17.642 RL 1.500 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 1.63909050 RMIN 1.59135000 RSCALE 1.61522025 DEL 0.66085264 RSCALE 1.61522025 RMAX 1.63909050 RMIN 1.59954133 RSCALE 1.61522025 DEL 0.66086005 RSCALE 1.61522025 DEL 0.66086130 RSCALE 1.61522025 DEL 0.66118673 RSCALE 1.61521838 DEL -0.28578722 RSCALE 1.61902012 DEL 0.07681516 RSCALE 1.61787279 DEL 0.00711572 RSCALE 1.61811584 DEL -0.00018735 RSCALE 1.61814066 DEL 0.00000051 RSCALE 1.61814002 DEL 0.00000002 RSCALE 1.61814002 DEL 0.00012393 RSCALE 1.61814002 DEL 0.00000004 RSCALE 1.61814002 DEL 0.00000004 RSCALE 1.61814002 DEL 0.00000004 RSCALE 1.61814002 DEL 0.00000005 RSCALE 1.61814002 DEL 0.00000000 RSCALE 1.61814002 CNORM= 9.97543E-01 0.1000 1.280E-02 I X 0.2000 1.912E-02 I X 0.3000 2.957E-03 IX 0.4000 -1.677E-02 X I 0.5000 -2.756E-02 X I 0.6000 -2.732E-02 X I 0.7000 -1.891E-02 X I 0.8000 -6.166E-03 XI 0.9000 7.728E-03 I X 1.0000 2.067E-02 I X 1.1000 3.148E-02 I X 1.2000 3.967E-02 I X 1.3000 4.517E-02 I X 1.4000 4.817E-02 I X 1.5000 4.897E-02 I X 1.6000 4.791E-02 I X 1.7000 4.534E-02 I X 1.8000 4.157E-02 I X 1.9000 3.687E-02 I X 2.0000 3.147E-02 I X 2.2000 1.932E-02 I X 2.4000 6.220E-03 IX 2.6000 -7.116E-03 X I 2.8000 -2.028E-02 X I 3.0000 -3.305E-02 X I 3.2000 -4.532E-02 X I 3.4000 -5.705E-02 X I 3.6000 -6.822E-02 X I 3.8000 -7.885E-02 X I 4.0000 -8.895E-02 X I 4.2000 -9.853E-02 X I 4.4000 -1.076E-01 X I 4.6000 -1.161E-01 X I 4.8000 -1.242E-01 X I 5.0000 -1.317E-01 X I 5.2000 -1.386E-01 X I 5.4000 -1.449E-01 X I 5.6000 -1.507E-01 X I 5.8000 -1.558E-01 X I 6.0000 -1.603E-01 X I 6.2000 -1.641E-01 X I 6.4000 -1.672E-01 X I 6.6000 -1.696E-01 X I 6.8000 -1.713E-01 X I 7.0000 -1.722E-01 X I 7.2000 -1.725E-01 X I 7.4000 -1.721E-01 X I 7.6000 -1.710E-01 X I 7.8000 -1.692E-01 X I 8.0000 -1.668E-01 X I 8.2000 -1.638E-01 X I 8.4000 -1.601E-01 X I 8.6000 -1.558E-01 X I 8.8000 -1.510E-01 X I 9.0000 -1.457E-01 X I 9.2000 -1.398E-01 X I 9.4000 -1.335E-01 X I 9.6000 -1.267E-01 X I 9.8000 -1.195E-01 X I 10.0000 -1.119E-01 X I 10.4000 -9.571E-02 X I 10.8000 -7.836E-02 X I 11.2000 -6.010E-02 X I 11.6000 -4.117E-02 X I 12.0000 -2.180E-02 X I 12.4000 -2.206E-03 X 12.8000 1.741E-02 I X 13.2000 3.687E-02 I X 13.6000 5.599E-02 I X 14.0000 7.465E-02 I X 14.4000 9.269E-02 I X 14.8000 1.100E-01 I X 15.2000 1.265E-01 I X 15.6000 1.421E-01 I X 16.0000 1.568E-01 I X 16.4000 1.704E-01 I X 16.8000 1.830E-01 I X 17.2000 1.945E-01 I X 17.6000 2.049E-01 I X 18.0000 2.143E-01 I X 18.4000 2.226E-01 I X 18.8000 2.298E-01 I X 19.2000 2.360E-01 I X 19.6000 2.411E-01 I X 20.0000 2.453E-01 I X 20.5000 2.493E-01 I X 21.0000 2.519E-01 I X 21.5000 2.531E-01 I X 22.0000 2.532E-01 I X 22.5000 2.522E-01 I X 23.0000 2.502E-01 I X 23.5000 2.473E-01 I X 24.0000 2.436E-01 I X 24.5000 2.392E-01 I X 25.0000 2.341E-01 I X 25.5000 2.286E-01 I X 26.0000 2.225E-01 I X 26.5000 2.161E-01 I X 27.0000 2.094E-01 I X 27.5000 2.024E-01 I X 28.0000 1.952E-01 I X 28.5000 1.880E-01 I X 29.0000 1.806E-01 I X 29.5000 1.732E-01 I X 30.0000 1.658E-01 I X 31.0000 1.513E-01 I X 32.0000 1.372E-01 I X 33.0000 1.237E-01 I X 34.0000 1.109E-01 I X 35.0000 9.900E-02 I X 36.0000 8.797E-02 I X 37.0000 7.785E-02 I X 38.0000 6.863E-02 I X 39.0000 6.027E-02 I X 40.0000 5.276E-02 I X 41.0000 4.603E-02 I X 42.0000 4.003E-02 I X 43.0000 3.472E-02 I X 44.0000 3.003E-02 I X 45.0000 2.591E-02 I X 46.0000 2.230E-02 I X 47.0000 1.914E-02 I X 48.0000 1.640E-02 I X 49.0000 1.402E-02 I X 50.0000 1.196E-02 I X 51.0000 1.018E-02 I X 52.0000 8.656E-03 I X 53.0000 7.344E-03 I X 54.0000 6.220E-03 IX 55.0000 5.260E-03 IX 56.0000 4.441E-03 IX 57.0000 3.743E-03 IX 58.0000 3.151E-03 IX 59.0000 2.649E-03 IX 8d d9 5s d9 5s8d K 99974.1 91657.9 8500. 8d d9 5s d9 5s8d K 99974.1 91657.9 8500. 0.000 0.000 0.000 0.000 20 47.00 CONFIG=d9 5s8d d9 5s L=2 ELIM= 105289.800 N= 8 E= 99974.100 E= -0.04844023 Z=1.0000 L=2.0000 STEP=-.1000 NUM= 9200 NSAVE= 9200 IRREG=0 IFITER=99 NNODES= 5 NUMR 9025 NUMS 9025 NUML 9186 RS 17.642 RL 1.500 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 DEL 0.94430728 RSCALE 1.73891111 DEL 0.97555252 RSCALE 1.72203153 DEL 0.94430733 RSCALE 1.73891111 DEL 0.90311356 RSCALE 1.75595615 DEL 0.85024680 RSCALE 1.77316827 DEL 0.78345728 RSCALE 1.79054910 DEL 0.69981648 RSCALE 1.80810030 DEL 0.59540635 RSCALE 1.82582355 DEL 0.46499026 RSCALE 1.84372051 DEL 0.30141309 RSCALE 1.86179291 DEL 0.09469517 RSCALE 1.88004245 DEL -0.01719208 RSCALE 1.88840236 DEL 0.00080058 RSCALE 1.88711782 DEL 0.00000638 RSCALE 1.88717497 DEL 0.00000000 RSCALE 1.88717543 CNORM= 9.95806E-01 0.1000 1.879E-02 I X 0.2000 2.473E-02 I X 0.3000 -2.337E-03 XI 0.4000 -2.913E-02 X I 0.5000 -3.747E-02 X I 0.6000 -2.784E-02 X I 0.7000 -7.969E-03 X I 0.8000 1.435E-02 I X 0.9000 3.379E-02 I X 1.0000 4.760E-02 I X 1.1000 5.497E-02 I X 1.2000 5.624E-02 I X 1.3000 5.236E-02 I X 1.4000 4.450E-02 I X 1.5000 3.379E-02 I X 1.6000 2.127E-02 I X 1.7000 7.762E-03 I X 1.8000 -6.057E-03 XI 1.9000 -1.969E-02 X I 2.0000 -3.277E-02 X I 2.2000 -5.637E-02 X I 2.4000 -7.585E-02 X I 2.6000 -9.103E-02 X I 2.8000 -1.022E-01 X I 3.0000 -1.098E-01 X I 3.2000 -1.143E-01 X I 3.4000 -1.163E-01 X I 3.6000 -1.161E-01 X I 3.8000 -1.142E-01 X I 4.0000 -1.109E-01 X I 4.2000 -1.063E-01 X I 4.4000 -1.008E-01 X I 4.6000 -9.443E-02 X I 4.8000 -8.739E-02 X I 5.0000 -7.977E-02 X I 5.2000 -7.167E-02 X I 5.4000 -6.316E-02 X I 5.6000 -5.431E-02 X I 5.8000 -4.519E-02 X I 6.0000 -3.584E-02 X I 6.2000 -2.631E-02 X I 6.4000 -1.666E-02 X I 6.6000 -6.929E-03 X I 6.8000 2.833E-03 IX 7.0000 1.258E-02 I X 7.2000 2.227E-02 I X 7.4000 3.186E-02 I X 7.6000 4.131E-02 I X 7.8000 5.058E-02 I X 8.0000 5.962E-02 I X 8.2000 6.841E-02 I X 8.4000 7.690E-02 I X 8.6000 8.508E-02 I X 8.8000 9.290E-02 I X 9.0000 1.004E-01 I X 9.2000 1.074E-01 I X 9.4000 1.140E-01 I X 9.6000 1.202E-01 I X 9.8000 1.259E-01 I X 10.0000 1.312E-01 I X 10.4000 1.403E-01 I X 10.8000 1.474E-01 I X 11.2000 1.525E-01 I X 11.6000 1.555E-01 I X 12.0000 1.566E-01 I X 12.4000 1.558E-01 I X 12.8000 1.532E-01 I X 13.2000 1.488E-01 I X 13.6000 1.428E-01 I X 14.0000 1.352E-01 I X 14.4000 1.263E-01 I X 14.8000 1.162E-01 I X 15.2000 1.049E-01 I X 15.6000 9.267E-02 I X 16.0000 7.963E-02 I X 16.4000 6.591E-02 I X 16.8000 5.165E-02 I X 17.2000 3.699E-02 I X 17.6000 2.204E-02 I X 18.0000 6.933E-03 I X 18.4000 -8.226E-03 X I 18.8000 -2.333E-02 X I 19.2000 -3.828E-02 X I 19.6000 -5.299E-02 X I 20.0000 -6.738E-02 X I 20.5000 -8.481E-02 X I 21.0000 -1.015E-01 X I 21.5000 -1.173E-01 X I 22.0000 -1.323E-01 X I 22.5000 -1.462E-01 X I 23.0000 -1.591E-01 X I 23.5000 -1.709E-01 X I 24.0000 -1.816E-01 X I 24.5000 -1.912E-01 X I 25.0000 -1.997E-01 X I 25.5000 -2.071E-01 X I 26.0000 -2.134E-01 X I 26.5000 -2.186E-01 X I 27.0000 -2.229E-01 X I 27.5000 -2.262E-01 X I 28.0000 -2.286E-01 X I 28.5000 -2.301E-01 X I 29.0000 -2.307E-01 X I 29.5000 -2.306E-01 X I 30.0000 -2.298E-01 X I 31.0000 -2.262E-01 X I 32.0000 -2.204E-01 X I 33.0000 -2.128E-01 X I 34.0000 -2.037E-01 X I 35.0000 -1.936E-01 X I 36.0000 -1.828E-01 X I 37.0000 -1.715E-01 X I 38.0000 -1.600E-01 X I 39.0000 -1.484E-01 X I 40.0000 -1.371E-01 X I 41.0000 -1.260E-01 X I 42.0000 -1.154E-01 X I 43.0000 -1.052E-01 X I 44.0000 -9.555E-02 X I 45.0000 -8.650E-02 X I 46.0000 -7.805E-02 X I 47.0000 -7.021E-02 X I 48.0000 -6.297E-02 X I 49.0000 -5.632E-02 X I 50.0000 -5.024E-02 X I 51.0000 -4.470E-02 X I 52.0000 -3.968E-02 X I 53.0000 -3.514E-02 X I 54.0000 -3.106E-02 X I 55.0000 -2.739E-02 X I 56.0000 -2.411E-02 X I 57.0000 -2.118E-02 X I 58.0000 -1.857E-02 X I 59.0000 -1.626E-02 X I 60.0000 -1.421E-02 X I 62.0000 -1.080E-02 X I 64.0000 -8.160E-03 X I 66.0000 -6.131E-03 XI 68.0000 -4.583E-03 XI 70.0000 -3.409E-03 XI 72.0000 -2.525E-03 XI 9d d9 5s d9 5s9d L 100804.2 92497.1 8500. 9d d9 5s d9 5s9d L 100804.2 92497.1 8500. 0.000 0.000 0.000 0.000 21 47.00 CONFIG=d9 5s9d d9 5s L=2 ELIM= 105289.800 N= 9 E= 100804.200 E= -0.04087580 Z=1.0000 L=2.0000 STEP=-.1000 NUM= 10100 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 6 NUMR 9925 NUMS 9925 NUML10086 RS 17.642 RL 1.500 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 DEL -15.45519118 RSCALE 2.13864133 DEL -7.97136313 RSCALE 2.15960458 DEL -4.82891221 RSCALE 2.18077331 DEL -3.11375820 RSCALE 2.20214954 DEL -2.04110459 RSCALE 2.22373531 DEL -1.31126774 RSCALE 2.24553266 DEL -0.78528202 RSCALE 2.26754367 DEL -0.38997558 RSCALE 2.28977044 DEL -0.08948283 RSCALE 2.31169747 DEL -0.01293461 RSCALE 2.31822706 DEL -0.00050196 RSCALE 2.31933038 DEL -0.00000293 RSCALE 2.31937493 DEL 0.00000000 RSCALE 2.31937519 CNORM= 9.97615E-01 0.1000 1.465E-02 I X 0.2000 1.626E-02 I X 0.3000 -7.083E-03 X I 0.4000 -2.444E-02 X I 0.5000 -2.320E-02 X I 0.6000 -8.285E-03 X I 0.7000 1.065E-02 I X 0.8000 2.616E-02 I X 0.9000 3.460E-02 I X 1.0000 3.539E-02 I X 1.1000 2.972E-02 I X 1.2000 1.953E-02 I X 1.3000 6.828E-03 I X 1.4000 -6.642E-03 X I 1.5000 -1.954E-02 X I 1.6000 -3.095E-02 X I 1.7000 -4.031E-02 X I 1.8000 -4.734E-02 X I 1.9000 -5.200E-02 X I 2.0000 -5.437E-02 X I 2.2000 -5.306E-02 X I 2.4000 -4.534E-02 X I 2.6000 -3.328E-02 X I 2.8000 -1.865E-02 X I 3.0000 -2.846E-03 XI 3.2000 1.313E-02 I X 3.4000 2.858E-02 I X 3.6000 4.307E-02 I X 3.8000 5.634E-02 I X 4.0000 6.825E-02 I X 4.2000 7.876E-02 I X 4.4000 8.789E-02 I X 4.6000 9.567E-02 I X 4.8000 1.022E-01 I X 5.0000 1.075E-01 I X 5.2000 1.117E-01 I X 5.4000 1.148E-01 I X 5.6000 1.170E-01 I X 5.8000 1.183E-01 I X 6.0000 1.187E-01 I X 6.2000 1.183E-01 I X 6.4000 1.172E-01 I X 6.6000 1.154E-01 I X 6.8000 1.130E-01 I X 7.0000 1.100E-01 I X 7.2000 1.064E-01 I X 7.4000 1.022E-01 I X 7.6000 9.757E-02 I X 7.8000 9.247E-02 I X 8.0000 8.692E-02 I X 8.2000 8.098E-02 I X 8.4000 7.467E-02 I X 8.6000 6.802E-02 I X 8.8000 6.107E-02 I X 9.0000 5.386E-02 I X 9.2000 4.642E-02 I X 9.4000 3.877E-02 I X 9.6000 3.097E-02 I X 9.8000 2.304E-02 I X 10.0000 1.502E-02 I X 10.4000 -1.170E-03 X 10.8000 -1.734E-02 X I 11.2000 -3.326E-02 X I 11.6000 -4.870E-02 X I 12.0000 -6.347E-02 X I 12.4000 -7.738E-02 X I 12.8000 -9.029E-02 X I 13.2000 -1.021E-01 X I 13.6000 -1.126E-01 X I 14.0000 -1.218E-01 X I 14.4000 -1.296E-01 X I 14.8000 -1.360E-01 X I 15.2000 -1.409E-01 X I 15.6000 -1.444E-01 X I 16.0000 -1.464E-01 X I 16.4000 -1.470E-01 X I 16.8000 -1.462E-01 X I 17.2000 -1.441E-01 X I 17.6000 -1.408E-01 X I 18.0000 -1.362E-01 X I 18.4000 -1.305E-01 X I 18.8000 -1.237E-01 X I 19.2000 -1.160E-01 X I 19.6000 -1.074E-01 X I 20.0000 -9.805E-02 X I 20.5000 -8.537E-02 X I 21.0000 -7.180E-02 X I 21.5000 -5.749E-02 X I 22.0000 -4.261E-02 X I 22.5000 -2.734E-02 X I 23.0000 -1.181E-02 X I 23.5000 3.813E-03 IX 24.0000 1.941E-02 I X 24.5000 3.485E-02 I X 25.0000 5.002E-02 I X 25.5000 6.483E-02 I X 26.0000 7.918E-02 I X 26.5000 9.299E-02 I X 27.0000 1.062E-01 I X 27.5000 1.187E-01 I X 28.0000 1.306E-01 I X 28.5000 1.417E-01 I X 29.0000 1.520E-01 I X 29.5000 1.615E-01 I X 30.0000 1.702E-01 I X 31.0000 1.852E-01 I X 32.0000 1.969E-01 I X 33.0000 2.056E-01 I X 34.0000 2.114E-01 I X 35.0000 2.144E-01 I X 36.0000 2.150E-01 I X 37.0000 2.135E-01 I X 38.0000 2.101E-01 I X 39.0000 2.050E-01 I X 40.0000 1.987E-01 I X 41.0000 1.913E-01 I X 42.0000 1.830E-01 I X 43.0000 1.742E-01 I X 44.0000 1.649E-01 I X 45.0000 1.554E-01 I X 46.0000 1.457E-01 I X 47.0000 1.362E-01 I X 48.0000 1.267E-01 I X 49.0000 1.175E-01 I X 50.0000 1.086E-01 I X 51.0000 1.000E-01 I X 52.0000 9.184E-02 I X 53.0000 8.409E-02 I X 54.0000 7.679E-02 I X 55.0000 6.994E-02 I X 56.0000 6.354E-02 I X 57.0000 5.760E-02 I X 58.0000 5.209E-02 I X 59.0000 4.701E-02 I X 60.0000 4.233E-02 I X 62.0000 3.413E-02 I X 64.0000 2.732E-02 I X 66.0000 2.173E-02 I X 68.0000 1.717E-02 I X 70.0000 1.349E-02 I X 72.0000 1.054E-02 I X 74.0000 8.200E-03 I X 76.0000 6.346E-03 I X 78.0000 4.890E-03 IX 80.0000 3.753E-03 IX 82.0000 2.869E-03 IX 84.0000 2.185E-03 IX 5s d8 5s5d d8s2 5d M 156974.1 145474.1 FIXEDHF 11500. HF 5s d8 5s5d d8s2 5d M 156974.1 145474.1 FIXEDHF 11500. HF 0.000 0.000 0.000 0.000 22 47.00 CONFIG=d8s2 5d d8 5s5d L=0 ELIM= 247574.900 N= 5 E= 145474.100HF E= -0.93041100 Z=1.0000 L=0.0000 STEP=-.1000 NUM= 2000 NSAVE= 2000 IRREG=0 IFITER=99 NNODES= 4 NUMR 1825 NUMS 1825 NUML 1999 RS 17.642 RL 0.250 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 DEL -0.84220322 RSCALE 1.37271249 DEL -0.91321865 RSCALE 1.38616800 DEL -0.84220322 RSCALE 1.37271249 DEL -0.76958196 RSCALE 1.35938759 DEL -0.69477688 RSCALE 1.34619203 DEL -0.61835913 RSCALE 1.33312457 DEL -0.53611136 RSCALE 1.32018395 DEL -0.45084482 RSCALE 1.30736894 DEL -0.36053579 RSCALE 1.29467833 DEL -0.26421339 RSCALE 1.28211091 DEL -0.16354601 RSCALE 1.26966548 DEL -0.05189397 RSCALE 1.25734086 DEL 0.00707345 RSCALE 1.25161258 DEL 0.00024109 RSCALE 1.25229972 DEL 0.00000070 RSCALE 1.25232396 DEL 0.00000000 RSCALE 1.25232403 CNORM= 6.42419E-01 0.1000 -1.687E-01 X I 0.2000 1.470E-01 I X 0.3000 2.363E-01 I X 0.4000 3.156E-02 I X 0.5000 -2.115E-01 X I 0.6000 -3.549E-01 X I 0.7000 -3.753E-01 X I 0.8000 -2.997E-01 X I 0.9000 -1.665E-01 X I 1.0000 -8.475E-03 XI 1.1000 1.513E-01 I X 1.2000 2.985E-01 I X 1.3000 4.257E-01 I X 1.4000 5.300E-01 I X 1.5000 6.113E-01 I X 1.6000 6.714E-01 I X 1.7000 7.126E-01 I X 1.8000 7.375E-01 I X 1.9000 7.490E-01 I X 2.0000 7.494E-01 I X 2.2000 7.258E-01 I X 2.4000 6.812E-01 I X 2.6000 6.256E-01 I X 2.8000 5.657E-01 I X 3.0000 5.057E-01 I X 3.2000 4.484E-01 I X 3.4000 3.949E-01 I X 3.6000 3.461E-01 I X 3.8000 3.021E-01 I X 4.0000 2.628E-01 I X 4.2000 2.280E-01 I X 4.4000 1.973E-01 I X 4.6000 1.704E-01 I X 4.8000 1.469E-01 I X 5.0000 1.264E-01 I X 5.2000 1.085E-01 I X 5.4000 9.308E-02 I X 5.6000 7.971E-02 I X 5.8000 6.817E-02 I X 6.0000 5.823E-02 I X 6.2000 4.968E-02 I X 6.4000 4.234E-02 I X 6.6000 3.604E-02 I X 6.8000 3.066E-02 I X 7.0000 2.605E-02 I X 7.2000 2.212E-02 I X 7.4000 1.877E-02 IX 7.6000 1.591E-02 IX 7.8000 1.348E-02 IX 8.0000 1.141E-02 IX 8.2000 9.651E-03 IX 8.4000 8.159E-03 IX 5d d8s2 d8s2 5d M 156974.1 145474.1 FIXEDHF 11500. HF 5d d8s2 d8s2 5d M 156974.1 145474.1 FIXEDHF 11500. HF 0.000 0.000 0.000 0.000 22 47.00 CONFIG=d8s2 5d d8s2 L=2 ELIM= 159186.700 N= 5 E= 145474.100HF E= -0.12495841 Z=1.0000 L=2.0000 STEP=-.1000 NUM= 5500 NSAVE= 5500 IRREG=0 IFITER=99 NNODES= 2 NUMR 5325 NUMS 5325 NUML 5486 RS 17.642 RL 1.500 DEL -0.89625058 RSCALE 1.50000000 DEL -0.93049941 RSCALE 1.51470320 DEL -0.89625228 RSCALE 1.50000000 DEL -0.85556547 RSCALE 1.48543952 DEL -0.80804591 RSCALE 1.47102038 DEL -0.75315572 RSCALE 1.45674121 DEL -0.69019124 RSCALE 1.44260065 DEL -0.61825293 RSCALE 1.42859734 DEL -0.53620351 RSCALE 1.41472997 DEL -0.44261021 RSCALE 1.40099721 DEL -0.33566708 RSCALE 1.38739775 DEL -0.21307406 RSCALE 1.37393030 DEL -0.07190057 RSCALE 1.36059358 DEL 0.00894002 RSCALE 1.35380110 DEL -0.00032803 RSCALE 1.35455227 DEL -0.00000661 RSCALE 1.35452568 DEL 0.00000527 RSCALE 1.35452514 DEL 0.00000229 RSCALE 1.35452538 DEL 0.00000000 RSCALE 1.35452557 CNORM= 1.12801E+00 0.1000 2.946E-02 I X 0.2000 5.089E-02 I X 0.3000 2.235E-02 I X 0.4000 -2.348E-02 X I 0.5000 -5.984E-02 X I 0.6000 -7.766E-02 X I 0.7000 -7.794E-02 X I 0.8000 -6.522E-02 X I 0.9000 -4.432E-02 X I 1.0000 -1.916E-02 X I 1.1000 7.471E-03 IX 1.2000 3.374E-02 I X 1.3000 5.857E-02 I X 1.4000 8.140E-02 I X 1.5000 1.020E-01 I X 1.6000 1.203E-01 I X 1.7000 1.366E-01 I X 1.8000 1.508E-01 I X 1.9000 1.634E-01 I X 2.0000 1.744E-01 I X 2.2000 1.926E-01 I X 2.4000 2.071E-01 I X 2.6000 2.188E-01 I X 2.8000 2.287E-01 I X 3.0000 2.375E-01 I X 3.2000 2.454E-01 I X 3.4000 2.528E-01 I X 3.6000 2.599E-01 I X 3.8000 2.668E-01 I X 4.0000 2.735E-01 I X 4.2000 2.800E-01 I X 4.4000 2.863E-01 I X 4.6000 2.923E-01 I X 4.8000 2.980E-01 I X 5.0000 3.034E-01 I X 5.2000 3.083E-01 I X 5.4000 3.128E-01 I X 5.6000 3.167E-01 I X 5.8000 3.202E-01 I X 6.0000 3.231E-01 I X 6.2000 3.255E-01 I X 6.4000 3.273E-01 I X 6.6000 3.286E-01 I X 6.8000 3.294E-01 I X 7.0000 3.297E-01 I X 7.2000 3.294E-01 I X 7.4000 3.287E-01 I X 7.6000 3.275E-01 I X 7.8000 3.258E-01 I X 8.0000 3.237E-01 I X 8.2000 3.213E-01 I X 8.4000 3.184E-01 I X 8.6000 3.152E-01 I X 8.8000 3.116E-01 I X 9.0000 3.077E-01 I X 9.2000 3.036E-01 I X 9.4000 2.991E-01 I X 9.6000 2.945E-01 I X 9.8000 2.896E-01 I X 10.0000 2.846E-01 I X 10.4000 2.739E-01 I X 10.8000 2.628E-01 I X 11.2000 2.513E-01 I X 11.6000 2.395E-01 I X 12.0000 2.277E-01 I X 12.4000 2.158E-01 I X 12.8000 2.040E-01 I X 13.2000 1.924E-01 I X 13.6000 1.811E-01 I X 14.0000 1.700E-01 I X 14.4000 1.593E-01 I X 14.8000 1.490E-01 I X 15.2000 1.390E-01 I X 15.6000 1.296E-01 I X 16.0000 1.205E-01 I X 16.4000 1.119E-01 I X 16.8000 1.038E-01 I X 17.2000 9.607E-02 I X 17.6000 8.882E-02 I X 18.0000 8.200E-02 I X 18.4000 7.561E-02 I X 18.8000 6.964E-02 I X 19.2000 6.405E-02 I X 19.6000 5.885E-02 I X 20.0000 5.401E-02 I X 20.5000 4.845E-02 I X 21.0000 4.339E-02 I X 21.5000 3.879E-02 I X 22.0000 3.464E-02 I X 22.5000 3.089E-02 I X 23.0000 2.750E-02 I X 23.5000 2.446E-02 I X 24.0000 2.173E-02 I X 24.5000 1.928E-02 I X 25.0000 1.708E-02 I X 25.5000 1.512E-02 I X 26.0000 1.337E-02 I X 26.5000 1.182E-02 I X 27.0000 1.043E-02 I X 27.5000 9.196E-03 I X 28.0000 8.102E-03 IX 28.5000 7.132E-03 IX 29.0000 6.272E-03 IX 29.5000 5.512E-03 IX 30.0000 4.840E-03 IX 31.0000 3.724E-03 IX 5g d10 d10 5g N 56711.1 51703.9 0. 10.5 5g d10 d10 5g N 56711.1 51703.9 0. 10.500 0.000 0.000 0.000 23 47.00 CONFIG=d10 5g d10 L=4 ELIM= 64089.600 N= 5 E= 56711.100 E= -0.06723784 Z=1.0000 L=4.0000 STEP=-.1000 NUM= 7600 NSAVE= 7600 IRREG=0 IFITER=99 NNODES= 0 NUMR 7425 NUMS 7425 NUML 7551 RS 17.642 RL 5.000 P0 0.00000000 RSCALE 10.19417476 R 14.30000000 P0 0.00000000 RSCALE 9.89725705 R 14.20000000 P0 0.00000000 RSCALE 9.60898742 R 14.10000000 P0 0.00000000 RSCALE 9.32911400 R 13.90000000 P0 0.00000000 RSCALE 9.05739224 R 13.80000000 P0 0.00000000 RSCALE 8.79358470 R 13.70000000 P0 0.00000000 RSCALE 8.53746087 R 13.60000000 P0 0.00000000 RSCALE 8.28879696 R 13.40000000 P0 0.00000000 RSCALE 8.04737569 R 13.30000000 P0 0.00000000 RSCALE 7.81298611 R 13.10000000 P0 0.00000000 RSCALE 7.58542340 R 13.00000000 P0 0.00000000 RSCALE 7.36448874 R 12.80000000 P0 0.00000000 RSCALE 7.14998907 R 12.60000000 P0 0.00000000 RSCALE 6.94173696 R 12.50000000 P0 0.00000000 RSCALE 6.73955045 R 12.30000000 P0 0.00000000 RSCALE 6.54325286 R 12.10000000 P0 0.00000000 RSCALE 6.35267268 R 11.90000000 P0 0.00000000 RSCALE 6.16764338 R 11.60000000 P0 0.00000000 RSCALE 5.98800328 R 11.40000000 P0 0.00000000 RSCALE 5.81359542 R 11.20000000 P0 0.00000000 RSCALE 5.64426740 R 10.90000000 P0 0.00000000 RSCALE 5.47987126 R 10.70000000 P0 0.00000000 RSCALE 5.32026336 R 10.40000000 P0 0.00000000 RSCALE 5.16530423 R 10.20000000 P0 0.00000000 RSCALE 5.01485848 R 9.90000000 P0 0.00000000 RSCALE 4.86879464 R 9.70000000 P0 0.00000000 RSCALE 4.72698509 R 9.50000000 P0 0.00000000 RSCALE 4.58930591 R 9.30000000 P0 0.00000000 RSCALE 4.45563680 R 9.10000000 P0 0.00000000 RSCALE 4.32586097 R 9.00000000 P0 0.00000000 RSCALE 4.19986502 R 8.90000000 P0 0.00000000 RSCALE 4.07753886 R 8.70000000 P0 0.00000000 RSCALE 3.95877559 R 8.60000000 P0 0.00000000 RSCALE 3.84347145 R 8.60000000 P0 0.00000000 RSCALE 3.73152568 R 8.50000000 P0 0.00000000 RSCALE 3.62284046 R 8.50000000 P0 0.00000000 RSCALE 3.51732084 R 8.40000000 P0 0.00000000 RSCALE 3.41487460 R 8.40000000 P0 0.00000000 RSCALE 3.31541223 R 8.40000000 P0 0.00000000 RSCALE 3.21884683 R 8.30000000 P0 0.00000000 RSCALE 3.12509401 R 8.30000000 P0 0.00000000 RSCALE 3.03407185 R 8.30000000 P0 0.00000000 RSCALE 2.94570083 R 8.30000000 P0 0.00000000 RSCALE 2.85990372 R 8.30000000 P0 0.00000000 RSCALE 2.77660555 R 8.30000000 P0 0.00000000 RSCALE 2.69573354 R 8.30000000 P0 0.00000000 RSCALE 2.61721703 R 8.30000000 P0 0.00000000 RSCALE 2.54098741 R 8.30000000 P0 0.00000000 RSCALE 2.46697807 R 8.30000000 P0 0.00000000 RSCALE 2.39512434 R 8.30000000 P0 0.00000000 RSCALE 2.32536343 R 8.30000000 INWARD INTEGRATION STOPS AT 84 ORIGIN ~R**2 CNORM= 4.42324E-01 0.1000 6.640E-08 X 0.2000 2.656E-07 X 0.3000 5.976E-07 X 0.4000 1.062E-06 X 0.5000 1.660E-06 X 0.6000 2.390E-06 X 0.7000 3.253E-06 X 0.8000 4.249E-06 X 0.9000 5.378E-06 X 1.0000 6.640E-06 X 1.1000 8.034E-06 X 1.2000 9.561E-06 X 1.3000 1.122E-05 X 1.4000 1.301E-05 X 1.5000 1.494E-05 X 1.6000 1.700E-05 X 1.7000 1.919E-05 X 1.8000 2.151E-05 X 1.9000 2.397E-05 X 2.0000 2.656E-05 X 2.2000 3.214E-05 X 2.4000 3.825E-05 X 2.6000 4.488E-05 X 2.8000 5.206E-05 X 3.0000 5.976E-05 X 3.2000 6.799E-05 X 3.4000 7.676E-05 X 3.6000 8.605E-05 X 3.8000 9.588E-05 X 4.0000 1.062E-04 X 4.2000 1.171E-04 X 4.4000 1.285E-04 X 4.6000 1.405E-04 X 4.8000 1.530E-04 X 5.0000 1.660E-04 X 5.2000 1.795E-04 X 5.4000 1.936E-04 X 5.6000 2.082E-04 X 5.8000 2.234E-04 X 6.0000 2.390E-04 X 6.2000 2.552E-04 X 6.4000 2.720E-04 X 6.6000 2.892E-04 X 6.8000 3.070E-04 X 7.0000 3.253E-04 X 7.2000 3.442E-04 X 7.4000 3.636E-04 X 7.6000 3.835E-04 X 7.8000 4.040E-04 X 8.0000 4.249E-04 X 8.2000 4.465E-04 X 8.4000 4.685E-04 X 8.6000 4.158E-03 IX 8.8000 7.866E-03 IX 9.0000 1.160E-02 I X 9.2000 1.538E-02 I X 9.4000 1.922E-02 I X 9.6000 2.311E-02 I X 9.8000 2.708E-02 I X 10.0000 3.112E-02 I X 10.4000 3.946E-02 I X 10.8000 4.818E-02 I X 11.2000 5.732E-02 I X 11.6000 6.689E-02 I X 12.0000 7.692E-02 I X 12.4000 8.745E-02 I X 12.8000 9.847E-02 I X 13.2000 1.100E-01 I X 13.6000 1.221E-01 I X 14.0000 1.347E-01 I X 14.4000 1.480E-01 I X 14.8000 1.617E-01 I X 15.2000 1.761E-01 I X 15.6000 1.912E-01 I X 16.0000 2.068E-01 I X 16.4000 2.232E-01 I X 16.8000 2.402E-01 I X 17.2000 2.580E-01 I X 17.6000 2.766E-01 I X 18.0000 2.930E-01 I X 18.4000 3.057E-01 I X 18.8000 3.149E-01 I X 19.2000 3.209E-01 I X 19.6000 3.241E-01 I X 20.0000 3.247E-01 I X 20.5000 3.223E-01 I X 21.0000 3.171E-01 I X 21.5000 3.095E-01 I X 22.0000 3.000E-01 I X 22.5000 2.891E-01 I X 23.0000 2.771E-01 I X 23.5000 2.644E-01 I X 24.0000 2.513E-01 I X 24.5000 2.379E-01 I X 25.0000 2.246E-01 I X 25.5000 2.114E-01 I X 26.0000 1.984E-01 I X 26.5000 1.858E-01 I X 27.0000 1.737E-01 I X 27.5000 1.620E-01 I X 28.0000 1.509E-01 I X 28.5000 1.403E-01 I X 29.0000 1.303E-01 I X 29.5000 1.209E-01 I X 30.0000 1.120E-01 I X 31.0000 9.580E-02 I X 32.0000 8.168E-02 I X 33.0000 6.944E-02 I X 34.0000 5.888E-02 I X 35.0000 4.982E-02 I X 36.0000 4.206E-02 I X 37.0000 3.545E-02 I X 38.0000 2.982E-02 I X 39.0000 2.504E-02 I X 40.0000 2.100E-02 I X 41.0000 1.758E-02 I X 42.0000 1.469E-02 I X 43.0000 1.226E-02 I X 44.0000 1.021E-02 I X 45.0000 8.500E-03 IX 46.0000 7.063E-03 IX 47.0000 5.861E-03 IX 48.0000 4.858E-03 IX 49.0000 4.021E-03 IX 50.0000 3.325E-03 IX 6g d10 d10 6g O 58046.5 53046.5 FIXEDHF 5000. HF7.5 6g d10 d10 6g O 58046.5 53046.5 FIXEDHF 5000. HF 7.500 0.000 0.000 0.000 24 47.00 CONFIG=d10 6g d10 L=4 ELIM= 56099.000 N= 6 E= 53046.500HF E= -0.02781643 Z=1.0000 L=4.0000 STEP=-.1000 NUM= 12400 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 1 NUMR12225 NUMS12225 NUML12351 RS 17.642 RL 5.000 P0 0.00000000 RSCALE 7.28155340 R 12.70000000 P0 0.00000000 RSCALE 7.06946932 R 12.60000000 P0 0.00000000 RSCALE 6.86356245 R 12.40000000 P0 0.00000000 RSCALE 6.66365286 R 12.30000000 P0 0.00000000 RSCALE 6.46956588 R 12.10000000 P0 0.00000000 RSCALE 6.28113193 R 12.00000000 P0 0.00000000 RSCALE 6.09818634 R 11.80000000 P0 0.00000000 RSCALE 5.92056926 R 11.60000000 P0 0.00000000 RSCALE 5.74812549 R 11.50000000 P0 0.00000000 RSCALE 5.58070436 R 11.30000000 P0 0.00000000 RSCALE 5.41815957 R 11.20000000 P0 0.00000000 RSCALE 5.26034910 R 11.00000000 P0 0.00000000 RSCALE 5.10713505 R 10.90000000 P0 0.00000000 RSCALE 4.95838354 R 10.80000000 P0 0.00000000 RSCALE 4.81396461 R 10.70000000 P0 0.00000000 RSCALE 4.67375204 R 10.60000000 P0 0.00000000 RSCALE 4.53762334 R 10.50000000 P0 0.00000000 RSCALE 4.40545956 R 10.50000000 P0 0.00000000 RSCALE 4.27714520 R 10.50000000 P0 0.00000000 RSCALE 4.15256816 R 10.40000000 P0 0.00000000 RSCALE 4.03161957 R 10.40000000 P0 0.00000000 RSCALE 3.91419376 R 10.40000000 P0 0.00000000 RSCALE 3.80018811 R 10.40000000 P0 0.00000000 RSCALE 3.68950302 R 10.40000000 P0 0.00000000 RSCALE 3.58204177 R 10.40000000 P0 0.00000000 RSCALE 3.47771046 R 10.40000000 P0 0.00000000 RSCALE 3.37641792 R 10.40000000 P0 0.00000000 RSCALE 3.27807565 R 10.40000000 P0 0.00000000 RSCALE 3.18259772 R 10.40000000 P0 0.00000000 RSCALE 3.08990070 R 10.40000000 P0 0.00000000 RSCALE 2.99990359 R 10.40000000 P0 0.00000000 RSCALE 2.91252776 R 10.40000000 INWARD INTEGRATION STOPS AT 105 ORIGIN ~R**2 CNORM= 9.78956E-01 0.1000 1.549E-07 X 0.2000 6.196E-07 X 0.3000 1.394E-06 X 0.4000 2.478E-06 X 0.5000 3.873E-06 X 0.6000 5.576E-06 X 0.7000 7.590E-06 X 0.8000 9.914E-06 X 0.9000 1.255E-05 X 1.0000 1.549E-05 X 1.1000 1.874E-05 X 1.2000 2.231E-05 X 1.3000 2.618E-05 X 1.4000 3.036E-05 X 1.5000 3.485E-05 X 1.6000 3.966E-05 X 1.7000 4.477E-05 X 1.8000 5.019E-05 X 1.9000 5.592E-05 X 2.0000 6.196E-05 X 2.2000 7.497E-05 X 2.4000 8.922E-05 X 2.6000 1.047E-04 X 2.8000 1.214E-04 X 3.0000 1.394E-04 X 3.2000 1.586E-04 X 3.4000 1.791E-04 X 3.6000 2.008E-04 X 3.8000 2.237E-04 X 4.0000 2.478E-04 X 4.2000 2.732E-04 X 4.4000 2.999E-04 X 4.6000 3.278E-04 X 4.8000 3.569E-04 X 5.0000 3.873E-04 X 5.2000 4.189E-04 X 5.4000 4.517E-04 X 5.6000 4.858E-04 X 5.8000 5.211E-04 X 6.0000 5.576E-04 X 6.2000 5.954E-04 X 6.4000 6.345E-04 X 6.6000 6.748E-04 X 6.8000 7.163E-04 X 7.0000 7.590E-04 X 7.2000 8.030E-04 X 7.4000 8.482E-04 X 7.6000 8.947E-04 X 7.8000 9.424E-04 X 8.0000 9.914E-04 X 8.2000 1.042E-03 X 8.4000 1.093E-03 X 8.6000 1.146E-03 X 8.8000 1.200E-03 X 9.0000 1.255E-03 X 9.2000 1.311E-03 X 9.4000 1.369E-03 X 9.6000 1.428E-03 X 9.8000 1.488E-03 X 10.0000 1.549E-03 X 10.4000 1.675E-03 X 10.8000 7.435E-03 I X 11.2000 1.509E-02 I X 11.6000 2.276E-02 I X 12.0000 3.044E-02 I X 12.4000 3.813E-02 I X 12.8000 4.579E-02 I X 13.2000 5.341E-02 I X 13.6000 6.095E-02 I X 14.0000 6.838E-02 I X 14.4000 7.567E-02 I X 14.8000 8.279E-02 I X 15.2000 8.969E-02 I X 15.6000 9.634E-02 I X 16.0000 1.027E-01 I X 16.4000 1.088E-01 I X 16.8000 1.145E-01 I X 17.2000 1.198E-01 I X 17.6000 1.248E-01 I X 18.0000 1.290E-01 I X 18.4000 1.323E-01 I X 18.8000 1.347E-01 I X 19.2000 1.364E-01 I X 19.6000 1.372E-01 I X 20.0000 1.374E-01 I X 20.5000 1.365E-01 I X 21.0000 1.347E-01 I X 21.5000 1.319E-01 I X 22.0000 1.283E-01 I X 22.5000 1.239E-01 I X 23.0000 1.187E-01 I X 23.5000 1.128E-01 I X 24.0000 1.064E-01 I X 24.5000 9.931E-02 I X 25.0000 9.174E-02 I X 25.5000 8.370E-02 I X 26.0000 7.524E-02 I X 26.5000 6.641E-02 I X 27.0000 5.727E-02 I X 27.5000 4.785E-02 I X 28.0000 3.822E-02 I X 28.5000 2.841E-02 I X 29.0000 1.847E-02 I X 29.5000 8.459E-03 I X 30.0000 -1.591E-03 X 31.0000 -2.163E-02 X I 32.0000 -4.133E-02 X I 33.0000 -6.041E-02 X I 34.0000 -7.862E-02 X I 35.0000 -9.575E-02 X I 36.0000 -1.116E-01 X I 37.0000 -1.262E-01 X I 38.0000 -1.392E-01 X I 39.0000 -1.508E-01 X I 40.0000 -1.607E-01 X I 41.0000 -1.692E-01 X I 42.0000 -1.761E-01 X I 43.0000 -1.815E-01 X I 44.0000 -1.854E-01 X I 45.0000 -1.881E-01 X I 46.0000 -1.894E-01 X I 47.0000 -1.896E-01 X I 48.0000 -1.887E-01 X I 49.0000 -1.868E-01 X I 50.0000 -1.841E-01 X I 51.0000 -1.806E-01 X I 52.0000 -1.764E-01 X I 53.0000 -1.716E-01 X I 54.0000 -1.664E-01 X I 55.0000 -1.607E-01 X I 56.0000 -1.548E-01 X I 57.0000 -1.486E-01 X I 58.0000 -1.423E-01 X I 59.0000 -1.358E-01 X I 60.0000 -1.293E-01 X I 62.0000 -1.164E-01 X I 64.0000 -1.038E-01 X I 66.0000 -9.177E-02 X I 68.0000 -8.054E-02 X I 70.0000 -7.019E-02 X I 72.0000 -6.076E-02 X I 74.0000 -5.229E-02 X I 76.0000 -4.473E-02 X I 78.0000 -3.807E-02 X I 80.0000 -3.223E-02 X I 82.0000 -2.717E-02 X I 84.0000 -2.279E-02 X I 86.0000 -1.904E-02 X I 88.0000 -1.585E-02 X I 90.0000 -1.314E-02 X I 92.0000 -1.085E-02 X I 94.0000 -8.936E-03 X I 96.0000 -7.333E-03 X I 98.0000 -5.999E-03 X I 100.0000 -4.894E-03 XI 104.0000 -3.229E-03 XI 108.0000 -2.109E-03 XI 7g d10 d10 7g P 58856.7 53856.7 FIXEDHF 5000. HF7.5 7g d10 d10 7g P 58856.7 53856.7 FIXEDHF 5000. HF 7.500 0.000 0.000 0.000 25 47.00 CONFIG=d10 7g d10 L=4 ELIM= 56099.000 N= 7 E= 53856.700HF E= -0.02043334 Z=1.0000 L=4.0000 STEP=-.1000 NUM= 14800 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 2 NUMR14625 NUMS14625 NUML14751 RS 17.642 RL 5.000 P0 0.00000000 RSCALE 7.28155340 R 12.40000000 P0 0.00000000 RSCALE 7.06946932 R 12.30000000 P0 0.00000000 RSCALE 6.86356245 R 12.10000000 P0 0.00000000 RSCALE 6.66365286 R 11.90000000 P0 0.00000000 RSCALE 6.46956588 R 11.70000000 P0 0.00000000 RSCALE 6.28113193 R 11.60000000 P0 0.00000000 RSCALE 6.09818634 R 11.40000000 P0 0.00000000 RSCALE 5.92056926 R 11.20000000 P0 0.00000000 RSCALE 5.74812549 R 11.00000000 P0 0.00000000 RSCALE 5.58070436 R 10.80000000 P0 0.00000000 RSCALE 5.41815957 R 10.60000000 P0 0.00000000 RSCALE 5.26034910 R 10.50000000 P0 0.00000000 RSCALE 5.10713505 R 10.30000000 P0 0.00000000 RSCALE 4.95838354 R 10.20000000 P0 0.00000000 RSCALE 4.81396461 R 10.00000000 P0 0.00000000 RSCALE 4.67375204 R 9.90000000 P0 0.00000000 RSCALE 4.53762334 R 9.80000000 P0 0.00000000 RSCALE 4.40545956 R 9.70000000 P0 0.00000000 RSCALE 4.27714520 R 9.60000000 P0 0.00000000 RSCALE 4.15256816 R 9.60000000 P0 0.00000000 RSCALE 4.03161957 R 9.50000000 P0 0.00000000 RSCALE 3.91419376 R 9.50000000 P0 0.00000000 RSCALE 3.80018811 R 9.50000000 P0 0.00000000 RSCALE 3.68950302 R 9.50000000 P0 0.00000000 RSCALE 3.58204177 R 9.40000000 P0 0.00000000 RSCALE 3.47771046 R 9.40000000 P0 0.00000000 RSCALE 3.37641792 R 9.40000000 P0 0.00000000 RSCALE 3.27807565 R 9.40000000 P0 0.00000000 RSCALE 3.18259772 R 9.40000000 P0 0.00000000 RSCALE 3.08990070 R 9.40000000 P0 0.00000000 RSCALE 2.99990359 R 9.40000000 P0 0.00000000 RSCALE 2.91252776 R 9.40000000 P0 0.00000000 RSCALE 2.82769685 R 9.40000000 P0 0.00000000 RSCALE 2.74533675 R 9.40000000 P0 0.00000000 RSCALE 2.66537548 R 9.40000000 INWARD INTEGRATION STOPS AT 95 ORIGIN ~R**2 CNORM= 9.87890E-01 0.1000 5.479E-08 X 0.2000 2.191E-07 X 0.3000 4.931E-07 X 0.4000 8.766E-07 X 0.5000 1.370E-06 X 0.6000 1.972E-06 X 0.7000 2.684E-06 X 0.8000 3.506E-06 X 0.9000 4.438E-06 X 1.0000 5.479E-06 X 1.1000 6.629E-06 X 1.2000 7.889E-06 X 1.3000 9.259E-06 X 1.4000 1.074E-05 X 1.5000 1.233E-05 X 1.6000 1.403E-05 X 1.7000 1.583E-05 X 1.8000 1.775E-05 X 1.9000 1.978E-05 X 2.0000 2.191E-05 X 2.2000 2.652E-05 X 2.4000 3.156E-05 X 2.6000 3.703E-05 X 2.8000 4.295E-05 X 3.0000 4.931E-05 X 3.2000 5.610E-05 X 3.4000 6.333E-05 X 3.6000 7.100E-05 X 3.8000 7.911E-05 X 4.0000 8.766E-05 X 4.2000 9.664E-05 X 4.4000 1.061E-04 X 4.6000 1.159E-04 X 4.8000 1.262E-04 X 5.0000 1.370E-04 X 5.2000 1.481E-04 X 5.4000 1.598E-04 X 5.6000 1.718E-04 X 5.8000 1.843E-04 X 6.0000 1.972E-04 X 6.2000 2.106E-04 X 6.4000 2.244E-04 X 6.6000 2.386E-04 X 6.8000 2.533E-04 X 7.0000 2.684E-04 X 7.2000 2.840E-04 X 7.4000 3.000E-04 X 7.6000 3.164E-04 X 7.8000 3.333E-04 X 8.0000 3.506E-04 X 8.2000 3.684E-04 X 8.4000 3.866E-04 X 8.6000 4.052E-04 X 8.8000 4.243E-04 X 9.0000 4.438E-04 X 9.2000 4.637E-04 X 9.4000 4.841E-04 X 9.6000 1.891E-03 IX 9.8000 4.685E-03 I X 10.0000 7.484E-03 I X 10.4000 1.310E-02 I X 10.8000 1.874E-02 I X 11.2000 2.441E-02 I X 11.6000 3.007E-02 I X 12.0000 3.572E-02 I X 12.4000 4.133E-02 I X 12.8000 4.687E-02 I X 13.2000 5.230E-02 I X 13.6000 5.760E-02 I X 14.0000 6.273E-02 I X 14.4000 6.765E-02 I X 14.8000 7.233E-02 I X 15.2000 7.675E-02 I X 15.6000 8.086E-02 I X 16.0000 8.464E-02 I X 16.4000 8.806E-02 I X 16.8000 9.110E-02 I X 17.2000 9.374E-02 I X 17.6000 9.595E-02 I X 18.0000 9.749E-02 I X 18.4000 9.823E-02 I X 18.8000 9.821E-02 I X 19.2000 9.749E-02 I X 19.6000 9.609E-02 I X 20.0000 9.407E-02 I X 20.5000 9.072E-02 I X 21.0000 8.654E-02 I X 21.5000 8.159E-02 I X 22.0000 7.596E-02 I X 22.5000 6.971E-02 I X 23.0000 6.291E-02 I X 23.5000 5.564E-02 I X 24.0000 4.795E-02 I X 24.5000 3.992E-02 I X 25.0000 3.161E-02 I X 25.5000 2.308E-02 I X 26.0000 1.439E-02 I X 26.5000 5.599E-03 I X 27.0000 -3.226E-03 XI 27.5000 -1.203E-02 X I 28.0000 -2.076E-02 X I 28.5000 -2.935E-02 X I 29.0000 -3.776E-02 X I 29.5000 -4.594E-02 X I 30.0000 -5.383E-02 X I 31.0000 -6.862E-02 X I 32.0000 -8.181E-02 X I 33.0000 -9.316E-02 X I 34.0000 -1.025E-01 X I 35.0000 -1.097E-01 X I 36.0000 -1.146E-01 X I 37.0000 -1.173E-01 X I 38.0000 -1.178E-01 X I 39.0000 -1.161E-01 X I 40.0000 -1.123E-01 X I 41.0000 -1.066E-01 X I 42.0000 -9.923E-02 X I 43.0000 -9.024E-02 X I 44.0000 -7.988E-02 X I 45.0000 -6.834E-02 X I 46.0000 -5.584E-02 X I 47.0000 -4.258E-02 X I 48.0000 -2.876E-02 X I 49.0000 -1.458E-02 X I 50.0000 -2.225E-04 X 51.0000 1.414E-02 I X 52.0000 2.834E-02 I X 53.0000 4.225E-02 I X 54.0000 5.573E-02 I X 55.0000 6.866E-02 I X 56.0000 8.096E-02 I X 57.0000 9.253E-02 I X 58.0000 1.033E-01 I X 59.0000 1.133E-01 I X 60.0000 1.224E-01 I X 62.0000 1.378E-01 I X 64.0000 1.496E-01 I X 66.0000 1.579E-01 I X 68.0000 1.629E-01 I X 70.0000 1.648E-01 I X 72.0000 1.640E-01 I X 74.0000 1.610E-01 I X 76.0000 1.561E-01 I X 78.0000 1.496E-01 I X 80.0000 1.420E-01 I X 82.0000 1.336E-01 I X 84.0000 1.247E-01 I X 86.0000 1.155E-01 I X 88.0000 1.062E-01 I X 90.0000 9.704E-02 I X 92.0000 8.814E-02 I X 94.0000 7.962E-02 I X 96.0000 7.154E-02 I X 98.0000 6.397E-02 I X 100.0000 5.694E-02 I X 104.0000 4.454E-02 I X 108.0000 3.430E-02 I X 112.0000 2.604E-02 I X 116.0000 1.952E-02 I X 120.0000 1.447E-02 I X 124.0000 1.061E-02 I X 128.0000 7.701E-03 I X 132.0000 5.540E-03 I X 136.0000 3.953E-03 IX 140.0000 2.798E-03 IX 144.0000 1.966E-03 IX 8g d10 d10 8g Q 59382.2 54382.2 FIXEDHF 5000. HF7.5 8g d10 d10 8g Q 59382.2 54382.2 FIXEDHF 5000. HF 7.500 0.000 0.000 0.000 26 47.00 CONFIG=d10 8g d10 L=4 ELIM= 56099.000 N= 8 E= 54382.200HF E= -0.01564463 Z=1.0000 L=4.0000 STEP=-.1000 NUM= 17300 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 3 NUMR17125 NUMS17125 NUML17251 RS 17.642 RL 5.000 P0 0.00000000 RSCALE 7.28155340 R 12.30000000 P0 0.00000000 RSCALE 7.06946932 R 12.10000000 P0 0.00000000 RSCALE 6.86356245 R 11.90000000 P0 0.00000000 RSCALE 6.66365286 R 11.70000000 P0 0.00000000 RSCALE 6.46956588 R 11.50000000 P0 0.00000000 RSCALE 6.28113193 R 11.30000000 P0 0.00000000 RSCALE 6.09818634 R 11.10000000 P0 0.00000000 RSCALE 5.92056926 R 10.90000000 P0 0.00000000 RSCALE 5.74812549 R 10.70000000 P0 0.00000000 RSCALE 5.58070436 R 10.50000000 P0 0.00000000 RSCALE 5.41815957 R 10.30000000 P0 0.00000000 RSCALE 5.26034910 R 10.10000000 P0 0.00000000 RSCALE 5.10713505 R 10.00000000 P0 0.00000000 RSCALE 4.95838354 R 9.80000000 P0 0.00000000 RSCALE 4.81396461 R 9.60000000 P0 0.00000000 RSCALE 4.67375204 R 9.50000000 P0 0.00000000 RSCALE 4.53762334 R 9.40000000 P0 0.00000000 RSCALE 4.40545956 R 9.20000000 P0 0.00000000 RSCALE 4.27714520 R 9.10000000 P0 0.00000000 RSCALE 4.15256816 R 9.10000000 P0 0.00000000 RSCALE 4.03161957 R 9.00000000 P0 0.00000000 RSCALE 3.91419376 R 8.90000000 P0 0.00000000 RSCALE 3.80018811 R 8.90000000 P0 0.00000000 RSCALE 3.68950302 R 8.80000000 P0 0.00000000 RSCALE 3.58204177 R 8.80000000 P0 0.00000000 RSCALE 3.47771046 R 8.80000000 P0 0.00000000 RSCALE 3.37641792 R 8.80000000 P0 0.00000000 RSCALE 3.27807565 R 8.80000000 P0 0.00000000 RSCALE 3.18259772 R 8.80000000 P0 0.00000000 RSCALE 3.08990070 R 8.80000000 P0 0.00000000 RSCALE 2.99990359 R 8.80000000 P0 0.00000000 RSCALE 2.91252776 R 8.80000000 P0 0.00000000 RSCALE 2.82769685 R 8.70000000 P0 0.00000000 RSCALE 2.74533675 R 8.70000000 P0 0.00000000 RSCALE 2.66537548 R 8.70000000 P0 0.00000000 RSCALE 2.58774319 R 8.70000000 P0 0.00000000 RSCALE 2.51237203 R 8.70000000 P0 0.00000000 RSCALE 2.43919614 R 8.70000000 INWARD INTEGRATION STOPS AT 88 ORIGIN ~R**2 CNORM= 9.92843E-01 0.1000 1.274E-09 X 0.2000 5.097E-09 X 0.3000 1.147E-08 X 0.4000 2.039E-08 X 0.5000 3.186E-08 X 0.6000 4.587E-08 X 0.7000 6.244E-08 X 0.8000 8.155E-08 X 0.9000 1.032E-07 X 1.0000 1.274E-07 X 1.1000 1.542E-07 X 1.2000 1.835E-07 X 1.3000 2.154E-07 X 1.4000 2.498E-07 X 1.5000 2.867E-07 X 1.6000 3.262E-07 X 1.7000 3.683E-07 X 1.8000 4.129E-07 X 1.9000 4.600E-07 X 2.0000 5.097E-07 X 2.2000 6.167E-07 X 2.4000 7.340E-07 X 2.6000 8.614E-07 X 2.8000 9.990E-07 X 3.0000 1.147E-06 X 3.2000 1.305E-06 X 3.4000 1.473E-06 X 3.6000 1.651E-06 X 3.8000 1.840E-06 X 4.0000 2.039E-06 X 4.2000 2.248E-06 X 4.4000 2.467E-06 X 4.6000 2.696E-06 X 4.8000 2.936E-06 X 5.0000 3.186E-06 X 5.2000 3.446E-06 X 5.4000 3.716E-06 X 5.6000 3.996E-06 X 5.8000 4.287E-06 X 6.0000 4.587E-06 X 6.2000 4.898E-06 X 6.4000 5.219E-06 X 6.6000 5.551E-06 X 6.8000 5.892E-06 X 7.0000 6.244E-06 X 7.2000 6.606E-06 X 7.4000 6.978E-06 X 7.6000 7.360E-06 X 7.8000 7.753E-06 X 8.0000 8.155E-06 X 8.2000 8.568E-06 X 8.4000 8.991E-06 X 8.6000 9.424E-06 X 8.8000 9.868E-06 X 9.0000 2.164E-03 IX 9.2000 4.321E-03 I X 9.4000 6.484E-03 I X 9.6000 8.655E-03 I X 9.8000 1.083E-02 I X 10.0000 1.302E-02 I X 10.4000 1.742E-02 I X 10.8000 2.184E-02 I X 11.2000 2.627E-02 I X 11.6000 3.068E-02 I X 12.0000 3.505E-02 I X 12.4000 3.936E-02 I X 12.8000 4.356E-02 I X 13.2000 4.764E-02 I X 13.6000 5.155E-02 I X 14.0000 5.528E-02 I X 14.4000 5.878E-02 I X 14.8000 6.203E-02 I X 15.2000 6.500E-02 I X 15.6000 6.766E-02 I X 16.0000 7.000E-02 I X 16.4000 7.198E-02 I X 16.8000 7.360E-02 I X 17.2000 7.484E-02 I X 17.6000 7.568E-02 I X 18.0000 7.593E-02 I X 18.4000 7.550E-02 I X 18.8000 7.443E-02 I X 19.2000 7.277E-02 I X 19.6000 7.055E-02 I X 20.0000 6.782E-02 I X 20.5000 6.374E-02 I X 21.0000 5.899E-02 I X 21.5000 5.366E-02 I X 22.0000 4.781E-02 I X 22.5000 4.152E-02 I X 23.0000 3.485E-02 I X 23.5000 2.787E-02 I X 24.0000 2.066E-02 I X 24.5000 1.327E-02 I X 25.0000 5.770E-03 I X 25.5000 -1.776E-03 XI 26.0000 -9.308E-03 X I 26.5000 -1.677E-02 X I 27.0000 -2.409E-02 X I 27.5000 -3.123E-02 X I 28.0000 -3.814E-02 X I 28.5000 -4.475E-02 X I 29.0000 -5.103E-02 X I 29.5000 -5.693E-02 X I 30.0000 -6.242E-02 X I 31.0000 -7.202E-02 X I 32.0000 -7.960E-02 X I 33.0000 -8.501E-02 X I 34.0000 -8.817E-02 X I 35.0000 -8.905E-02 X I 36.0000 -8.770E-02 X I 37.0000 -8.420E-02 X I 38.0000 -7.870E-02 X I 39.0000 -7.138E-02 X I 40.0000 -6.246E-02 X I 41.0000 -5.218E-02 X I 42.0000 -4.079E-02 X I 43.0000 -2.856E-02 X I 44.0000 -1.575E-02 X I 45.0000 -2.637E-03 XI 46.0000 1.053E-02 I X 47.0000 2.350E-02 I X 48.0000 3.605E-02 I X 49.0000 4.798E-02 I X 50.0000 5.911E-02 I X 51.0000 6.927E-02 I X 52.0000 7.833E-02 I X 53.0000 8.619E-02 I X 54.0000 9.276E-02 I X 55.0000 9.798E-02 I X 56.0000 1.018E-01 I X 57.0000 1.043E-01 I X 58.0000 1.053E-01 I X 59.0000 1.050E-01 I X 60.0000 1.034E-01 I X 62.0000 9.654E-02 I X 64.0000 8.525E-02 I X 66.0000 7.030E-02 I X 68.0000 5.253E-02 I X 70.0000 3.277E-02 I X 72.0000 1.185E-02 I X 74.0000 -9.474E-03 X I 76.0000 -3.051E-02 X I 78.0000 -5.068E-02 X I 80.0000 -6.949E-02 X I 82.0000 -8.658E-02 X I 84.0000 -1.017E-01 X I 86.0000 -1.146E-01 X I 88.0000 -1.253E-01 X I 90.0000 -1.338E-01 X I 92.0000 -1.400E-01 X I 94.0000 -1.442E-01 X I 96.0000 -1.464E-01 X I 98.0000 -1.469E-01 X I 100.0000 -1.458E-01 X I 104.0000 -1.396E-01 X I 108.0000 -1.296E-01 X I 112.0000 -1.171E-01 X I 116.0000 -1.035E-01 X I 120.0000 -8.962E-02 X I 124.0000 -7.628E-02 X I 128.0000 -6.391E-02 X I 132.0000 -5.281E-02 X I 136.0000 -4.308E-02 X I 140.0000 -3.474E-02 X I 144.0000 -2.771E-02 X I 148.0000 -2.189E-02 X I 152.0000 -1.714E-02 X I 156.0000 -1.330E-02 X I 160.0000 -1.025E-02 X I 164.0000 -7.834E-03 X I 168.0000 -5.949E-03 X I 172.0000 -4.488E-03 X I 176.0000 -3.365E-03 XI 180.0000 -2.509E-03 XI 184.0000 -1.861E-03 XI 9g d10 d10 9g R 59743.4 54743.4 FIXEDHF 5000. HF7.5 9g d10 d10 9g R 59743.4 54743.4 FIXEDHF 5000. HF 7.500 0.000 0.000 0.000 27 47.00 CONFIG=d10 9g d10 L=4 ELIM= 56099.000 N= 9 E= 54743.400HF E= -0.01235314 Z=1.0000 L=4.0000 STEP=-.1000 NUM= 19800 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 4 NUMR19625 NUMS19625 NUML19751 RS 17.642 RL 5.000 P0 0.00000000 RSCALE 7.28155340 R 12.10000000 P0 0.00000000 RSCALE 7.06946932 R 12.00000000 P0 0.00000000 RSCALE 6.86356245 R 11.80000000 P0 0.00000000 RSCALE 6.66365286 R 11.60000000 P0 0.00000000 RSCALE 6.46956588 R 11.40000000 P0 0.00000000 RSCALE 6.28113193 R 11.20000000 P0 0.00000000 RSCALE 6.09818634 R 11.00000000 P0 0.00000000 RSCALE 5.92056926 R 10.80000000 P0 0.00000000 RSCALE 5.74812549 R 10.60000000 P0 0.00000000 RSCALE 5.58070436 R 10.40000000 P0 0.00000000 RSCALE 5.41815957 R 10.20000000 P0 0.00000000 RSCALE 5.26034910 R 10.00000000 P0 0.00000000 RSCALE 5.10713505 R 9.80000000 P0 0.00000000 RSCALE 4.95838354 R 9.60000000 P0 0.00000000 RSCALE 4.81396461 R 9.40000000 P0 0.00000000 RSCALE 4.67375204 R 9.30000000 P0 0.00000000 RSCALE 4.53762334 R 9.10000000 P0 0.00000000 RSCALE 4.40545956 R 9.00000000 P0 0.00000000 RSCALE 4.27714520 R 8.90000000 P0 0.00000000 RSCALE 4.15256816 R 8.80000000 P0 0.00000000 RSCALE 4.03161957 R 8.70000000 P0 0.00000000 RSCALE 3.91419376 R 8.60000000 P0 0.00000000 RSCALE 3.80018811 R 8.60000000 P0 0.00000000 RSCALE 3.68950302 R 8.50000000 P0 0.00000000 RSCALE 3.58204177 R 8.50000000 P0 0.00000000 RSCALE 3.47771046 R 8.50000000 P0 0.00000000 RSCALE 3.37641792 R 8.40000000 P0 0.00000000 RSCALE 3.27807565 R 8.40000000 P0 0.00000000 RSCALE 3.18259772 R 8.40000000 P0 0.00000000 RSCALE 3.08990070 R 8.40000000 P0 0.00000000 RSCALE 2.99990359 R 8.40000000 P0 0.00000000 RSCALE 2.91252776 R 8.40000000 P0 0.00000000 RSCALE 2.82769685 R 8.40000000 P0 0.00000000 RSCALE 2.74533675 R 8.40000000 P0 0.00000000 RSCALE 2.66537548 R 8.40000000 P0 0.00000000 RSCALE 2.58774319 R 8.40000000 P0 0.00000000 RSCALE 2.51237203 R 8.40000000 P0 0.00000000 RSCALE 2.43919614 R 8.40000000 P0 0.00000000 RSCALE 2.36815159 R 8.40000000 INWARD INTEGRATION STOPS AT 85 ORIGIN ~R**2 CNORM= 9.95593E-01 0.1000 7.771E-08 X 0.2000 3.109E-07 X 0.3000 6.994E-07 X 0.4000 1.243E-06 X 0.5000 1.943E-06 X 0.6000 2.798E-06 X 0.7000 3.808E-06 X 0.8000 4.974E-06 X 0.9000 6.295E-06 X 1.0000 7.771E-06 X 1.1000 9.403E-06 X 1.2000 1.119E-05 X 1.3000 1.313E-05 X 1.4000 1.523E-05 X 1.5000 1.749E-05 X 1.6000 1.989E-05 X 1.7000 2.246E-05 X 1.8000 2.518E-05 X 1.9000 2.805E-05 X 2.0000 3.109E-05 X 2.2000 3.761E-05 X 2.4000 4.476E-05 X 2.6000 5.253E-05 X 2.8000 6.093E-05 X 3.0000 6.994E-05 X 3.2000 7.958E-05 X 3.4000 8.984E-05 X 3.6000 1.007E-04 X 3.8000 1.122E-04 X 4.0000 1.243E-04 X 4.2000 1.371E-04 X 4.4000 1.505E-04 X 4.6000 1.644E-04 X 4.8000 1.791E-04 X 5.0000 1.943E-04 X 5.2000 2.101E-04 X 5.4000 2.266E-04 X 5.6000 2.437E-04 X 5.8000 2.614E-04 X 6.0000 2.798E-04 X 6.2000 2.987E-04 X 6.4000 3.183E-04 X 6.6000 3.385E-04 X 6.8000 3.593E-04 X 7.0000 3.808E-04 X 7.2000 4.029E-04 X 7.4000 4.256E-04 X 7.6000 4.489E-04 X 7.8000 4.728E-04 X 8.0000 4.974E-04 X 8.2000 5.225E-04 X 8.4000 5.483E-04 X 8.6000 1.438E-03 IX 8.8000 3.194E-03 IX 9.0000 4.956E-03 I X 9.2000 6.725E-03 I X 9.4000 8.502E-03 I X 9.6000 1.029E-02 I X 9.8000 1.208E-02 I X 10.0000 1.388E-02 I X 10.4000 1.751E-02 I X 10.8000 2.115E-02 I X 11.2000 2.478E-02 I X 11.6000 2.838E-02 I X 12.0000 3.194E-02 I X 12.4000 3.541E-02 I X 12.8000 3.878E-02 I X 13.2000 4.201E-02 I X 13.6000 4.508E-02 I X 14.0000 4.796E-02 I X 14.4000 5.061E-02 I X 14.8000 5.303E-02 I X 15.2000 5.518E-02 I X 15.6000 5.704E-02 I X 16.0000 5.859E-02 I X 16.4000 5.982E-02 I X 16.8000 6.071E-02 I X 17.2000 6.126E-02 I X 17.6000 6.144E-02 I X 18.0000 6.112E-02 I X 18.4000 6.022E-02 I X 18.8000 5.878E-02 I X 19.2000 5.683E-02 I X 19.6000 5.443E-02 I X 20.0000 5.160E-02 I X 20.5000 4.751E-02 I X 21.0000 4.289E-02 I X 21.5000 3.781E-02 I X 22.0000 3.234E-02 I X 22.5000 2.653E-02 I X 23.0000 2.047E-02 I X 23.5000 1.421E-02 I X 24.0000 7.810E-03 I X 24.5000 1.342E-03 IX 25.0000 -5.139E-03 X I 25.5000 -1.157E-02 X I 26.0000 -1.791E-02 X I 26.5000 -2.408E-02 X I 27.0000 -3.005E-02 X I 27.5000 -3.576E-02 X I 28.0000 -4.117E-02 X I 28.5000 -4.623E-02 X I 29.0000 -5.091E-02 X I 29.5000 -5.517E-02 X I 30.0000 -5.898E-02 X I 31.0000 -6.517E-02 X I 32.0000 -6.932E-02 X I 33.0000 -7.136E-02 X I 34.0000 -7.126E-02 X I 35.0000 -6.910E-02 X I 36.0000 -6.497E-02 X I 37.0000 -5.904E-02 X I 38.0000 -5.151E-02 X I 39.0000 -4.263E-02 X I 40.0000 -3.264E-02 X I 41.0000 -2.184E-02 X I 42.0000 -1.050E-02 X I 43.0000 1.092E-03 X 44.0000 1.266E-02 I X 45.0000 2.394E-02 I X 46.0000 3.469E-02 I X 47.0000 4.469E-02 I X 48.0000 5.375E-02 I X 49.0000 6.170E-02 I X 50.0000 6.841E-02 I X 51.0000 7.378E-02 I X 52.0000 7.774E-02 I X 53.0000 8.025E-02 I X 54.0000 8.129E-02 I X 55.0000 8.089E-02 I X 56.0000 7.908E-02 I X 57.0000 7.593E-02 I X 58.0000 7.152E-02 I X 59.0000 6.596E-02 I X 60.0000 5.935E-02 I X 62.0000 4.353E-02 I X 64.0000 2.515E-02 I X 66.0000 5.363E-03 I X 68.0000 -1.472E-02 X I 70.0000 -3.406E-02 X I 72.0000 -5.177E-02 X I 74.0000 -6.709E-02 X I 76.0000 -7.947E-02 X I 78.0000 -8.853E-02 X I 80.0000 -9.406E-02 X I 82.0000 -9.602E-02 X I 84.0000 -9.451E-02 X I 86.0000 -8.975E-02 X I 88.0000 -8.205E-02 X I 90.0000 -7.179E-02 X I 92.0000 -5.942E-02 X I 94.0000 -4.537E-02 X I 96.0000 -3.012E-02 X I 98.0000 -1.410E-02 X I 100.0000 2.257E-03 IX 104.0000 3.448E-02 I X 108.0000 6.400E-02 I X 112.0000 8.903E-02 I X 116.0000 1.085E-01 I X 120.0000 1.222E-01 I X 124.0000 1.302E-01 I X 128.0000 1.330E-01 I X 132.0000 1.314E-01 I X 136.0000 1.264E-01 I X 140.0000 1.189E-01 I X 144.0000 1.095E-01 I X 148.0000 9.922E-02 I X 152.0000 8.848E-02 I X 156.0000 7.782E-02 I X 160.0000 6.759E-02 I X 164.0000 5.804E-02 I X 168.0000 4.932E-02 I X 172.0000 4.151E-02 I X 176.0000 3.463E-02 I X 180.0000 2.865E-02 I X 184.0000 2.352E-02 I X 188.0000 1.917E-02 I X 192.0000 1.552E-02 I X 196.0000 1.248E-02 I X 200.0000 9.981E-03 I X 204.0000 7.936E-03 I X 208.0000 6.276E-03 I X 212.0000 4.938E-03 I X 216.0000 3.867E-03 I X 220.0000 3.014E-03 IX 224.0000 2.339E-03 IX 228.0000 1.808E-03 IX 232.0000 1.392E-03 IX 5g d9 5s d9 5s5g S 98884.0 90384.0 FIXEDHF 8500. HF7.5 5g d9 5s d9 5s5g S 98884.0 90384.0 FIXEDHF 8500. HF 7.500 0.000 0.000 0.000 28 47.00 CONFIG=d9 5s5g d9 5s L=4 ELIM= 94783.100 N= 5 E= 90384.000HF E= -0.04008755 Z=1.0000 L=4.0000 STEP=-.1000 NUM= 10100 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 0 NUMR 9925 NUMS 9925 NUML10051 RS 17.642 RL 5.000 P0 0.00000000 RSCALE 7.28155340 R 13.20000000 P0 0.00000000 RSCALE 7.06946932 R 13.10000000 P0 0.00000000 RSCALE 6.86356245 R 13.00000000 P0 0.00000000 RSCALE 6.66365286 R 12.90000000 P0 0.00000000 RSCALE 6.46956588 R 12.70000000 P0 0.00000000 RSCALE 6.28113193 R 12.60000000 P0 0.00000000 RSCALE 6.09818634 R 12.50000000 P0 0.00000000 RSCALE 5.92056926 R 12.40000000 P0 0.00000000 RSCALE 5.74812549 R 12.30000000 P0 0.00000000 RSCALE 5.58070436 R 12.20000000 P0 0.00000000 RSCALE 5.41815957 R 12.10000000 P0 0.00000000 RSCALE 5.26034910 R 12.00000000 P0 0.00000000 RSCALE 5.10713505 R 11.90000000 P0 0.00000000 RSCALE 4.95838354 R 11.80000000 P0 0.00000000 RSCALE 4.81396461 R 11.80000000 P0 0.00000000 RSCALE 4.67375204 R 11.80000000 P0 0.00000000 RSCALE 4.53762334 R 11.70000000 P0 0.00000000 RSCALE 4.40545956 R 11.70000000 P0 0.00000000 RSCALE 4.27714520 R 11.70000000 P0 0.00000000 RSCALE 4.15256816 R 11.70000000 P0 0.00000000 RSCALE 4.03161957 R 11.70000000 P0 0.00000000 RSCALE 3.91419376 R 11.70000000 P0 0.00000000 RSCALE 3.80018811 R 11.70000000 P0 0.00000000 RSCALE 3.68950302 R 11.70000000 P0 0.00000000 RSCALE 3.58204177 R 11.70000000 P0 0.00000000 RSCALE 3.47771046 R 11.70000000 P0 0.00000000 RSCALE 3.37641792 R 11.70000000 P0 0.00000000 RSCALE 3.27807565 R 11.70000000 INWARD INTEGRATION STOPS AT 118 ORIGIN ~R**2 CNORM= 9.67697E-01 0.1000 1.403E-07 X 0.2000 5.614E-07 X 0.3000 1.263E-06 X 0.4000 2.245E-06 X 0.5000 3.509E-06 X 0.6000 5.052E-06 X 0.7000 6.877E-06 X 0.8000 8.982E-06 X 0.9000 1.137E-05 X 1.0000 1.403E-05 X 1.1000 1.698E-05 X 1.2000 2.021E-05 X 1.3000 2.372E-05 X 1.4000 2.751E-05 X 1.5000 3.158E-05 X 1.6000 3.593E-05 X 1.7000 4.056E-05 X 1.8000 4.547E-05 X 1.9000 5.066E-05 X 2.0000 5.614E-05 X 2.2000 6.792E-05 X 2.4000 8.084E-05 X 2.6000 9.487E-05 X 2.8000 1.100E-04 X 3.0000 1.263E-04 X 3.2000 1.437E-04 X 3.4000 1.622E-04 X 3.6000 1.819E-04 X 3.8000 2.027E-04 X 4.0000 2.245E-04 X 4.2000 2.476E-04 X 4.4000 2.717E-04 X 4.6000 2.970E-04 X 4.8000 3.233E-04 X 5.0000 3.509E-04 X 5.2000 3.795E-04 X 5.4000 4.092E-04 X 5.6000 4.401E-04 X 5.8000 4.721E-04 X 6.0000 5.052E-04 X 6.2000 5.395E-04 X 6.4000 5.748E-04 X 6.6000 6.113E-04 X 6.8000 6.489E-04 X 7.0000 6.877E-04 X 7.2000 7.275E-04 X 7.4000 7.685E-04 X 7.6000 8.106E-04 X 7.8000 8.538E-04 X 8.0000 8.982E-04 X 8.2000 9.437E-04 X 8.4000 9.902E-04 X 8.6000 1.038E-03 X 8.8000 1.087E-03 X 9.0000 1.137E-03 X 9.2000 1.188E-03 X 9.4000 1.240E-03 X 9.6000 1.293E-03 X 9.8000 1.348E-03 X 10.0000 1.403E-03 X 10.4000 1.518E-03 X 10.8000 1.637E-03 X 11.2000 1.760E-03 X 11.6000 1.888E-03 X 12.0000 7.409E-03 I X 12.4000 1.833E-02 I X 12.8000 2.928E-02 I X 13.2000 4.026E-02 I X 13.6000 5.125E-02 I X 14.0000 6.226E-02 I X 14.4000 7.326E-02 I X 14.8000 8.423E-02 I X 15.2000 9.515E-02 I X 15.6000 1.060E-01 I X 16.0000 1.167E-01 I X 16.4000 1.274E-01 I X 16.8000 1.378E-01 I X 17.2000 1.481E-01 I X 17.6000 1.582E-01 I X 18.0000 1.676E-01 I X 18.4000 1.763E-01 I X 18.8000 1.841E-01 I X 19.2000 1.911E-01 I X 19.6000 1.975E-01 I X 20.0000 2.032E-01 I X 20.5000 2.094E-01 I X 21.0000 2.147E-01 I X 21.5000 2.192E-01 I X 22.0000 2.229E-01 I X 22.5000 2.259E-01 I X 23.0000 2.283E-01 I X 23.5000 2.300E-01 I X 24.0000 2.312E-01 I X 24.5000 2.318E-01 I X 25.0000 2.320E-01 I X 25.5000 2.316E-01 I X 26.0000 2.308E-01 I X 26.5000 2.296E-01 I X 27.0000 2.280E-01 I X 27.5000 2.261E-01 I X 28.0000 2.238E-01 I X 28.5000 2.211E-01 I X 29.0000 2.182E-01 I X 29.5000 2.149E-01 I X 30.0000 2.114E-01 I X 31.0000 2.038E-01 I X 32.0000 1.954E-01 I X 33.0000 1.865E-01 I X 34.0000 1.772E-01 I X 35.0000 1.676E-01 I X 36.0000 1.579E-01 I X 37.0000 1.482E-01 I X 38.0000 1.385E-01 I X 39.0000 1.291E-01 I X 40.0000 1.199E-01 I X 41.0000 1.110E-01 I X 42.0000 1.025E-01 I X 43.0000 9.432E-02 I X 44.0000 8.659E-02 I X 45.0000 7.929E-02 I X 46.0000 7.242E-02 I X 47.0000 6.600E-02 I X 48.0000 6.001E-02 I X 49.0000 5.444E-02 I X 50.0000 4.929E-02 I X 51.0000 4.454E-02 I X 52.0000 4.017E-02 I X 53.0000 3.616E-02 I X 54.0000 3.249E-02 I X 55.0000 2.915E-02 I X 56.0000 2.610E-02 I X 57.0000 2.334E-02 I X 58.0000 2.084E-02 I X 59.0000 1.858E-02 I X 60.0000 1.654E-02 I X 62.0000 1.305E-02 I X 64.0000 1.025E-02 I X 66.0000 8.004E-03 I X 68.0000 6.225E-03 IX 70.0000 4.820E-03 IX 72.0000 3.717E-03 IX 74.0000 2.856E-03 IX 6g d9 5s d9 5s6g T 100226.6 91726.6 FIXEDHF 8500. HF7.5 6g d9 5s d9 5s6g T 100226.6 91726.6 FIXEDHF 8500. HF 7.500 0.000 0.000 0.000 29 47.00 CONFIG=d9 5s6g d9 5s L=4 ELIM= 94783.100 N= 6 E= 91726.600HF E= -0.02785288 Z=1.0000 L=4.0000 STEP=-.1000 NUM= 12400 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 1 NUMR12225 NUMS12225 NUML12351 RS 17.642 RL 5.000 P0 0.00000000 RSCALE 7.28155340 R 12.70000000 P0 0.00000000 RSCALE 7.06946932 R 12.60000000 P0 0.00000000 RSCALE 6.86356245 R 12.40000000 P0 0.00000000 RSCALE 6.66365286 R 12.20000000 P0 0.00000000 RSCALE 6.46956588 R 12.10000000 P0 0.00000000 RSCALE 6.28113193 R 11.90000000 P0 0.00000000 RSCALE 6.09818634 R 11.80000000 P0 0.00000000 RSCALE 5.92056926 R 11.60000000 P0 0.00000000 RSCALE 5.74812549 R 11.40000000 P0 0.00000000 RSCALE 5.58070436 R 11.30000000 P0 0.00000000 RSCALE 5.41815957 R 11.10000000 P0 0.00000000 RSCALE 5.26034910 R 11.00000000 P0 0.00000000 RSCALE 5.10713505 R 10.80000000 P0 0.00000000 RSCALE 4.95838354 R 10.70000000 P0 0.00000000 RSCALE 4.81396461 R 10.60000000 P0 0.00000000 RSCALE 4.67375204 R 10.50000000 P0 0.00000000 RSCALE 4.53762334 R 10.50000000 P0 0.00000000 RSCALE 4.40545956 R 10.40000000 P0 0.00000000 RSCALE 4.27714520 R 10.40000000 P0 0.00000000 RSCALE 4.15256816 R 10.30000000 P0 0.00000000 RSCALE 4.03161957 R 10.30000000 P0 0.00000000 RSCALE 3.91419376 R 10.30000000 P0 0.00000000 RSCALE 3.80018811 R 10.30000000 P0 0.00000000 RSCALE 3.68950302 R 10.30000000 P0 0.00000000 RSCALE 3.58204177 R 10.30000000 P0 0.00000000 RSCALE 3.47771046 R 10.30000000 P0 0.00000000 RSCALE 3.37641792 R 10.30000000 P0 0.00000000 RSCALE 3.27807565 R 10.30000000 P0 0.00000000 RSCALE 3.18259772 R 10.30000000 P0 0.00000000 RSCALE 3.08990070 R 10.30000000 P0 0.00000000 RSCALE 2.99990359 R 10.30000000 P0 0.00000000 RSCALE 2.91252776 R 10.30000000 INWARD INTEGRATION STOPS AT 104 ORIGIN ~R**2 CNORM= 9.79072E-01 0.1000 1.583E-07 X 0.2000 6.331E-07 X 0.3000 1.425E-06 X 0.4000 2.532E-06 X 0.5000 3.957E-06 X 0.6000 5.698E-06 X 0.7000 7.756E-06 X 0.8000 1.013E-05 X 0.9000 1.282E-05 X 1.0000 1.583E-05 X 1.1000 1.915E-05 X 1.2000 2.279E-05 X 1.3000 2.675E-05 X 1.4000 3.102E-05 X 1.5000 3.561E-05 X 1.6000 4.052E-05 X 1.7000 4.574E-05 X 1.8000 5.128E-05 X 1.9000 5.714E-05 X 2.0000 6.331E-05 X 2.2000 7.661E-05 X 2.4000 9.117E-05 X 2.6000 1.070E-04 X 2.8000 1.241E-04 X 3.0000 1.425E-04 X 3.2000 1.621E-04 X 3.4000 1.830E-04 X 3.6000 2.051E-04 X 3.8000 2.286E-04 X 4.0000 2.532E-04 X 4.2000 2.792E-04 X 4.4000 3.064E-04 X 4.6000 3.349E-04 X 4.8000 3.647E-04 X 5.0000 3.957E-04 X 5.2000 4.280E-04 X 5.4000 4.615E-04 X 5.6000 4.964E-04 X 5.8000 5.325E-04 X 6.0000 5.698E-04 X 6.2000 6.084E-04 X 6.4000 6.483E-04 X 6.6000 6.895E-04 X 6.8000 7.319E-04 X 7.0000 7.756E-04 X 7.2000 8.205E-04 X 7.4000 8.667E-04 X 7.6000 9.142E-04 X 7.8000 9.630E-04 X 8.0000 1.013E-03 X 8.2000 1.064E-03 X 8.4000 1.117E-03 X 8.6000 1.171E-03 X 8.8000 1.226E-03 X 9.0000 1.282E-03 X 9.2000 1.340E-03 X 9.4000 1.399E-03 X 9.6000 1.459E-03 X 9.8000 1.520E-03 X 10.0000 1.583E-03 X 10.4000 1.712E-03 X 10.8000 9.273E-03 I X 11.2000 1.685E-02 I X 11.6000 2.446E-02 I X 12.0000 3.208E-02 I X 12.4000 3.969E-02 I X 12.8000 4.729E-02 I X 13.2000 5.484E-02 I X 13.6000 6.231E-02 I X 14.0000 6.967E-02 I X 14.4000 7.688E-02 I X 14.8000 8.392E-02 I X 15.2000 9.074E-02 I X 15.6000 9.731E-02 I X 16.0000 1.036E-01 I X 16.4000 1.096E-01 I X 16.8000 1.152E-01 I X 17.2000 1.205E-01 I X 17.6000 1.253E-01 I X 18.0000 1.294E-01 I X 18.4000 1.326E-01 I X 18.8000 1.350E-01 I X 19.2000 1.365E-01 I X 19.6000 1.373E-01 I X 20.0000 1.373E-01 I X 20.5000 1.364E-01 I X 21.0000 1.344E-01 I X 21.5000 1.315E-01 I X 22.0000 1.278E-01 I X 22.5000 1.233E-01 I X 23.0000 1.180E-01 I X 23.5000 1.120E-01 I X 24.0000 1.055E-01 I X 24.5000 9.832E-02 I X 25.0000 9.067E-02 I X 25.5000 8.255E-02 I X 26.0000 7.403E-02 I X 26.5000 6.514E-02 I X 27.0000 5.594E-02 I X 27.5000 4.648E-02 I X 28.0000 3.681E-02 I X 28.5000 2.697E-02 I X 29.0000 1.701E-02 I X 29.5000 6.972E-03 I X 30.0000 -3.092E-03 XI 31.0000 -2.314E-02 X I 32.0000 -4.283E-02 X I 33.0000 -6.187E-02 X I 34.0000 -8.002E-02 X I 35.0000 -9.709E-02 X I 36.0000 -1.129E-01 X I 37.0000 -1.273E-01 X I 38.0000 -1.403E-01 X I 39.0000 -1.517E-01 X I 40.0000 -1.616E-01 X I 41.0000 -1.699E-01 X I 42.0000 -1.767E-01 X I 43.0000 -1.819E-01 X I 44.0000 -1.858E-01 X I 45.0000 -1.883E-01 X I 46.0000 -1.896E-01 X I 47.0000 -1.896E-01 X I 48.0000 -1.887E-01 X I 49.0000 -1.867E-01 X I 50.0000 -1.839E-01 X I 51.0000 -1.803E-01 X I 52.0000 -1.760E-01 X I 53.0000 -1.712E-01 X I 54.0000 -1.659E-01 X I 55.0000 -1.603E-01 X I 56.0000 -1.543E-01 X I 57.0000 -1.481E-01 X I 58.0000 -1.417E-01 X I 59.0000 -1.352E-01 X I 60.0000 -1.287E-01 X I 62.0000 -1.158E-01 X I 64.0000 -1.032E-01 X I 66.0000 -9.122E-02 X I 68.0000 -8.001E-02 X I 70.0000 -6.970E-02 X I 72.0000 -6.031E-02 X I 74.0000 -5.187E-02 X I 76.0000 -4.436E-02 X I 78.0000 -3.773E-02 X I 80.0000 -3.194E-02 X I 82.0000 -2.691E-02 X I 84.0000 -2.257E-02 X I 86.0000 -1.885E-02 X I 88.0000 -1.568E-02 X I 90.0000 -1.299E-02 X I 92.0000 -1.073E-02 X I 94.0000 -8.830E-03 X I 96.0000 -7.244E-03 X I 98.0000 -5.924E-03 X I 100.0000 -4.831E-03 XI 104.0000 -3.185E-03 XI 108.0000 -2.079E-03 XI 7g d9 5s d9 5s7g U 101037.5 92537.5 FIXEDHF 8500. HF7.5 7g d9 5s d9 5s7g U 101037.5 92537.5 FIXEDHF 8500. HF 7.500 0.000 0.000 0.000 30 47.00 CONFIG=d9 5s7g d9 5s L=4 ELIM= 94783.100 N= 7 E= 92537.500HF E= -0.02046341 Z=1.0000 L=4.0000 STEP=-.1000 NUM= 14800 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 2 NUMR14625 NUMS14625 NUML14751 RS 17.642 RL 5.000 P0 0.00000000 RSCALE 7.28155340 R 12.40000000 P0 0.00000000 RSCALE 7.06946932 R 12.20000000 P0 0.00000000 RSCALE 6.86356245 R 12.10000000 P0 0.00000000 RSCALE 6.66365286 R 11.90000000 P0 0.00000000 RSCALE 6.46956588 R 11.70000000 P0 0.00000000 RSCALE 6.28113193 R 11.50000000 P0 0.00000000 RSCALE 6.09818634 R 11.30000000 P0 0.00000000 RSCALE 5.92056926 R 11.10000000 P0 0.00000000 RSCALE 5.74812549 R 10.90000000 P0 0.00000000 RSCALE 5.58070436 R 10.80000000 P0 0.00000000 RSCALE 5.41815957 R 10.60000000 P0 0.00000000 RSCALE 5.26034910 R 10.40000000 P0 0.00000000 RSCALE 5.10713505 R 10.20000000 P0 0.00000000 RSCALE 4.95838354 R 10.10000000 P0 0.00000000 RSCALE 4.81396461 R 9.90000000 P0 0.00000000 RSCALE 4.67375204 R 9.80000000 P0 0.00000000 RSCALE 4.53762334 R 9.70000000 P0 0.00000000 RSCALE 4.40545956 R 9.60000000 P0 0.00000000 RSCALE 4.27714520 R 9.50000000 P0 0.00000000 RSCALE 4.15256816 R 9.50000000 P0 0.00000000 RSCALE 4.03161957 R 9.40000000 P0 0.00000000 RSCALE 3.91419376 R 9.40000000 P0 0.00000000 RSCALE 3.80018811 R 9.30000000 P0 0.00000000 RSCALE 3.68950302 R 9.30000000 P0 0.00000000 RSCALE 3.58204177 R 9.30000000 P0 0.00000000 RSCALE 3.47771046 R 9.30000000 P0 0.00000000 RSCALE 3.37641792 R 9.30000000 P0 0.00000000 RSCALE 3.27807565 R 9.30000000 P0 0.00000000 RSCALE 3.18259772 R 9.30000000 P0 0.00000000 RSCALE 3.08990070 R 9.30000000 P0 0.00000000 RSCALE 2.99990359 R 9.30000000 P0 0.00000000 RSCALE 2.91252776 R 9.30000000 P0 0.00000000 RSCALE 2.82769685 R 9.30000000 P0 0.00000000 RSCALE 2.74533675 R 9.30000000 P0 0.00000000 RSCALE 2.66537548 R 9.30000000 P0 0.00000000 RSCALE 2.58774319 R 9.30000000 INWARD INTEGRATION STOPS AT 94 ORIGIN ~R**2 CNORM= 9.88037E-01 0.1000 1.436E-07 X 0.2000 5.745E-07 X 0.3000 1.293E-06 X 0.4000 2.298E-06 X 0.5000 3.591E-06 X 0.6000 5.171E-06 X 0.7000 7.038E-06 X 0.8000 9.192E-06 X 0.9000 1.163E-05 X 1.0000 1.436E-05 X 1.1000 1.738E-05 X 1.2000 2.068E-05 X 1.3000 2.427E-05 X 1.4000 2.815E-05 X 1.5000 3.232E-05 X 1.6000 3.677E-05 X 1.7000 4.151E-05 X 1.8000 4.653E-05 X 1.9000 5.185E-05 X 2.0000 5.745E-05 X 2.2000 6.951E-05 X 2.4000 8.273E-05 X 2.6000 9.709E-05 X 2.8000 1.126E-04 X 3.0000 1.293E-04 X 3.2000 1.471E-04 X 3.4000 1.660E-04 X 3.6000 1.861E-04 X 3.8000 2.074E-04 X 4.0000 2.298E-04 X 4.2000 2.534E-04 X 4.4000 2.781E-04 X 4.6000 3.039E-04 X 4.8000 3.309E-04 X 5.0000 3.591E-04 X 5.2000 3.884E-04 X 5.4000 4.188E-04 X 5.6000 4.504E-04 X 5.8000 4.832E-04 X 6.0000 5.171E-04 X 6.2000 5.521E-04 X 6.4000 5.883E-04 X 6.6000 6.256E-04 X 6.8000 6.641E-04 X 7.0000 7.038E-04 X 7.2000 7.446E-04 X 7.4000 7.865E-04 X 7.6000 8.296E-04 X 7.8000 8.738E-04 X 8.0000 9.192E-04 X 8.2000 9.657E-04 X 8.4000 1.013E-03 X 8.6000 1.062E-03 X 8.8000 1.112E-03 X 9.0000 1.163E-03 X 9.2000 1.216E-03 X 9.4000 1.269E-03 X 9.6000 4.011E-03 IX 9.8000 6.757E-03 I X 10.0000 9.511E-03 I X 10.4000 1.504E-02 I X 10.8000 2.060E-02 I X 11.2000 2.618E-02 I X 11.6000 3.177E-02 I X 12.0000 3.734E-02 I X 12.4000 4.287E-02 I X 12.8000 4.832E-02 I X 13.2000 5.366E-02 I X 13.6000 5.887E-02 I X 14.0000 6.390E-02 I X 14.4000 6.873E-02 I X 14.8000 7.331E-02 I X 15.2000 7.762E-02 I X 15.6000 8.162E-02 I X 16.0000 8.529E-02 I X 16.4000 8.860E-02 I X 16.8000 9.153E-02 I X 17.2000 9.405E-02 I X 17.6000 9.614E-02 I X 18.0000 9.756E-02 I X 18.4000 9.818E-02 I X 18.8000 9.805E-02 I X 19.2000 9.721E-02 I X 19.6000 9.570E-02 I X 20.0000 9.357E-02 I X 20.5000 9.009E-02 I X 21.0000 8.577E-02 I X 21.5000 8.071E-02 I X 22.0000 7.496E-02 I X 22.5000 6.861E-02 I X 23.0000 6.172E-02 I X 23.5000 5.437E-02 I X 24.0000 4.661E-02 I X 24.5000 3.851E-02 I X 25.0000 3.015E-02 I X 25.5000 2.157E-02 I X 26.0000 1.285E-02 I X 26.5000 4.037E-03 IX 27.0000 -4.799E-03 X I 27.5000 -1.360E-02 X I 28.0000 -2.232E-02 X I 28.5000 -3.090E-02 X I 29.0000 -3.928E-02 X I 29.5000 -4.742E-02 X I 30.0000 -5.527E-02 X I 31.0000 -6.994E-02 X I 32.0000 -8.299E-02 X I 33.0000 -9.418E-02 X I 34.0000 -1.033E-01 X I 35.0000 -1.103E-01 X I 36.0000 -1.150E-01 X I 37.0000 -1.175E-01 X I 38.0000 -1.177E-01 X I 39.0000 -1.158E-01 X I 40.0000 -1.119E-01 X I 41.0000 -1.060E-01 X I 42.0000 -9.842E-02 X I 43.0000 -8.927E-02 X I 44.0000 -7.876E-02 X I 45.0000 -6.710E-02 X I 46.0000 -5.448E-02 X I 47.0000 -4.113E-02 X I 48.0000 -2.725E-02 X I 49.0000 -1.302E-02 X I 50.0000 1.368E-03 X 51.0000 1.574E-02 I X 52.0000 2.994E-02 I X 53.0000 4.382E-02 I X 54.0000 5.726E-02 I X 55.0000 7.015E-02 I X 56.0000 8.238E-02 I X 57.0000 9.389E-02 I X 58.0000 1.046E-01 I X 59.0000 1.145E-01 I X 60.0000 1.235E-01 I X 62.0000 1.387E-01 I X 64.0000 1.503E-01 I X 66.0000 1.584E-01 I X 68.0000 1.632E-01 I X 70.0000 1.649E-01 I X 72.0000 1.640E-01 I X 74.0000 1.608E-01 I X 76.0000 1.558E-01 I X 78.0000 1.492E-01 I X 80.0000 1.415E-01 I X 82.0000 1.331E-01 I X 84.0000 1.241E-01 I X 86.0000 1.148E-01 I X 88.0000 1.056E-01 I X 90.0000 9.641E-02 I X 92.0000 8.752E-02 I X 94.0000 7.902E-02 I X 96.0000 7.097E-02 I X 98.0000 6.343E-02 I X 100.0000 5.643E-02 I X 104.0000 4.410E-02 I X 108.0000 3.393E-02 I X 112.0000 2.574E-02 I X 116.0000 1.929E-02 I X 120.0000 1.428E-02 I X 124.0000 1.046E-02 I X 128.0000 7.590E-03 I X 132.0000 5.457E-03 I X 136.0000 3.890E-03 IX 140.0000 2.752E-03 IX 144.0000 1.932E-03 IX 8g d9 5s d9 5s8g V 101563.6 93063.6 FIXEDHF 8500. HF7.5 8g d9 5s d9 5s8g V 101563.6 93063.6 FIXEDHF 8500. HF 7.500 0.000 0.000 0.000 31 47.00 CONFIG=d9 5s8g d9 5s L=4 ELIM= 94783.100 N= 8 E= 93063.600HF E= -0.01566924 Z=1.0000 L=4.0000 STEP=-.1000 NUM= 17200 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 3 NUMR17025 NUMS17025 NUML17151 RS 17.642 RL 5.000 P0 0.00000000 RSCALE 7.28155340 R 12.20000000 P0 0.00000000 RSCALE 7.06946932 R 12.00000000 P0 0.00000000 RSCALE 6.86356245 R 11.80000000 P0 0.00000000 RSCALE 6.66365286 R 11.70000000 P0 0.00000000 RSCALE 6.46956588 R 11.50000000 P0 0.00000000 RSCALE 6.28113193 R 11.30000000 P0 0.00000000 RSCALE 6.09818634 R 11.10000000 P0 0.00000000 RSCALE 5.92056926 R 10.90000000 P0 0.00000000 RSCALE 5.74812549 R 10.70000000 P0 0.00000000 RSCALE 5.58070436 R 10.50000000 P0 0.00000000 RSCALE 5.41815957 R 10.30000000 P0 0.00000000 RSCALE 5.26034910 R 10.10000000 P0 0.00000000 RSCALE 5.10713505 R 9.90000000 P0 0.00000000 RSCALE 4.95838354 R 9.70000000 P0 0.00000000 RSCALE 4.81396461 R 9.50000000 P0 0.00000000 RSCALE 4.67375204 R 9.40000000 P0 0.00000000 RSCALE 4.53762334 R 9.20000000 P0 0.00000000 RSCALE 4.40545956 R 9.10000000 P0 0.00000000 RSCALE 4.27714520 R 9.00000000 P0 0.00000000 RSCALE 4.15256816 R 8.90000000 P0 0.00000000 RSCALE 4.03161957 R 8.80000000 P0 0.00000000 RSCALE 3.91419376 R 8.70000000 P0 0.00000000 RSCALE 3.80018811 R 8.70000000 P0 0.00000000 RSCALE 3.68950302 R 8.60000000 P0 0.00000000 RSCALE 3.58204177 R 8.60000000 P0 0.00000000 RSCALE 3.47771046 R 8.60000000 P0 0.00000000 RSCALE 3.37641792 R 8.60000000 P0 0.00000000 RSCALE 3.27807565 R 8.60000000 P0 0.00000000 RSCALE 3.18259772 R 8.50000000 P0 0.00000000 RSCALE 3.08990070 R 8.50000000 P0 0.00000000 RSCALE 2.99990359 R 8.50000000 P0 0.00000000 RSCALE 2.91252776 R 8.50000000 P0 0.00000000 RSCALE 2.82769685 R 8.50000000 P0 0.00000000 RSCALE 2.74533675 R 8.50000000 P0 0.00000000 RSCALE 2.66537548 R 8.50000000 P0 0.00000000 RSCALE 2.58774319 R 8.50000000 P0 0.00000000 RSCALE 2.51237203 R 8.50000000 P0 0.00000000 RSCALE 2.43919614 R 8.50000000 P0 0.00000000 RSCALE 2.36815159 R 8.50000000 INWARD INTEGRATION STOPS AT 86 ORIGIN ~R**2 CNORM= 9.92998E-01 0.1000 2.755E-08 X 0.2000 1.102E-07 X 0.3000 2.480E-07 X 0.4000 4.408E-07 X 0.5000 6.888E-07 X 0.6000 9.919E-07 X 0.7000 1.350E-06 X 0.8000 1.763E-06 X 0.9000 2.232E-06 X 1.0000 2.755E-06 X 1.1000 3.334E-06 X 1.2000 3.967E-06 X 1.3000 4.656E-06 X 1.4000 5.400E-06 X 1.5000 6.199E-06 X 1.6000 7.053E-06 X 1.7000 7.963E-06 X 1.8000 8.927E-06 X 1.9000 9.946E-06 X 2.0000 1.102E-05 X 2.2000 1.334E-05 X 2.4000 1.587E-05 X 2.6000 1.863E-05 X 2.8000 2.160E-05 X 3.0000 2.480E-05 X 3.2000 2.821E-05 X 3.4000 3.185E-05 X 3.6000 3.571E-05 X 3.8000 3.979E-05 X 4.0000 4.408E-05 X 4.2000 4.860E-05 X 4.4000 5.334E-05 X 4.6000 5.830E-05 X 4.8000 6.348E-05 X 5.0000 6.888E-05 X 5.2000 7.450E-05 X 5.4000 8.034E-05 X 5.6000 8.640E-05 X 5.8000 9.268E-05 X 6.0000 9.919E-05 X 6.2000 1.059E-04 X 6.4000 1.129E-04 X 6.6000 1.200E-04 X 6.8000 1.274E-04 X 7.0000 1.350E-04 X 7.2000 1.428E-04 X 7.4000 1.509E-04 X 7.6000 1.591E-04 X 7.8000 1.676E-04 X 8.0000 1.763E-04 X 8.2000 1.853E-04 X 8.4000 1.944E-04 X 8.6000 2.038E-04 X 8.8000 2.295E-03 IX 9.0000 4.390E-03 I X 9.2000 6.493E-03 I X 9.4000 8.604E-03 I X 9.6000 1.073E-02 I X 9.8000 1.286E-02 I X 10.0000 1.500E-02 I X 10.4000 1.931E-02 I X 10.8000 2.365E-02 I X 11.2000 2.799E-02 I X 11.6000 3.231E-02 I X 12.0000 3.660E-02 I X 12.4000 4.081E-02 I X 12.8000 4.492E-02 I X 13.2000 4.890E-02 I X 13.6000 5.272E-02 I X 14.0000 5.634E-02 I X 14.4000 5.973E-02 I X 14.8000 6.286E-02 I X 15.2000 6.572E-02 I X 15.6000 6.826E-02 I X 16.0000 7.047E-02 I X 16.4000 7.233E-02 I X 16.8000 7.383E-02 I X 17.2000 7.493E-02 I X 17.6000 7.565E-02 I X 18.0000 7.577E-02 I X 18.4000 7.521E-02 I X 18.8000 7.403E-02 I X 19.2000 7.224E-02 I X 19.6000 6.991E-02 I X 20.0000 6.707E-02 I X 20.5000 6.286E-02 I X 21.0000 5.800E-02 I X 21.5000 5.255E-02 I X 22.0000 4.661E-02 I X 22.5000 4.022E-02 I X 23.0000 3.348E-02 I X 23.5000 2.644E-02 I X 24.0000 1.918E-02 I X 24.5000 1.175E-02 I X 25.0000 4.224E-03 I X 25.5000 -3.335E-03 XI 26.0000 -1.087E-02 X I 26.5000 -1.831E-02 X I 27.0000 -2.562E-02 X I 27.5000 -3.272E-02 X I 28.0000 -3.958E-02 X I 28.5000 -4.613E-02 X I 29.0000 -5.234E-02 X I 29.5000 -5.817E-02 X I 30.0000 -6.357E-02 X I 31.0000 -7.297E-02 X I 32.0000 -8.034E-02 X I 33.0000 -8.551E-02 X I 34.0000 -8.842E-02 X I 35.0000 -8.905E-02 X I 36.0000 -8.745E-02 X I 37.0000 -8.371E-02 X I 38.0000 -7.798E-02 X I 39.0000 -7.045E-02 X I 40.0000 -6.134E-02 X I 41.0000 -5.090E-02 X I 42.0000 -3.937E-02 X I 43.0000 -2.704E-02 X I 44.0000 -1.416E-02 X I 45.0000 -1.005E-03 X 46.0000 1.217E-02 I X 47.0000 2.512E-02 I X 48.0000 3.763E-02 I X 49.0000 4.948E-02 I X 50.0000 6.051E-02 I X 51.0000 7.055E-02 I X 52.0000 7.947E-02 I X 53.0000 8.718E-02 I X 54.0000 9.358E-02 I X 55.0000 9.862E-02 I X 56.0000 1.023E-01 I X 57.0000 1.045E-01 I X 58.0000 1.054E-01 I X 59.0000 1.049E-01 I X 60.0000 1.032E-01 I X 62.0000 9.591E-02 I X 64.0000 8.431E-02 I X 66.0000 6.911E-02 I X 68.0000 5.113E-02 I X 70.0000 3.122E-02 I X 72.0000 1.021E-02 I X 74.0000 -1.115E-02 X I 76.0000 -3.217E-02 X I 78.0000 -5.227E-02 X I 80.0000 -7.099E-02 X I 82.0000 -8.796E-02 X I 84.0000 -1.029E-01 X I 86.0000 -1.157E-01 X I 88.0000 -1.262E-01 X I 90.0000 -1.345E-01 X I 92.0000 -1.405E-01 X I 94.0000 -1.445E-01 X I 96.0000 -1.466E-01 X I 98.0000 -1.469E-01 X I 100.0000 -1.457E-01 X I 104.0000 -1.393E-01 X I 108.0000 -1.291E-01 X I 112.0000 -1.165E-01 X I 116.0000 -1.028E-01 X I 120.0000 -8.896E-02 X I 124.0000 -7.564E-02 X I 128.0000 -6.332E-02 X I 132.0000 -5.227E-02 X I 136.0000 -4.260E-02 X I 140.0000 -3.432E-02 X I 144.0000 -2.736E-02 X I 148.0000 -2.160E-02 X I 152.0000 -1.689E-02 X I 156.0000 -1.311E-02 X I 160.0000 -1.009E-02 X I 164.0000 -7.706E-03 X I 168.0000 -5.847E-03 X I 172.0000 -4.409E-03 X I 176.0000 -3.304E-03 XI 180.0000 -2.461E-03 XI 184.0000 -1.824E-03 XI 9g d9 5s d9 5s9g W 101924.7 93424.7 FIXEDHF 8500. HF7.5 9g d9 5s d9 5s9g W 101924.7 93424.7 FIXEDHF 8500. HF 7.500 0.000 0.000 0.000 32 47.00 CONFIG=d9 5s9g d9 5s L=4 ELIM= 94783.100 N= 9 E= 93424.700HF E= -0.01237865 Z=1.0000 L=4.0000 STEP=-.1000 NUM= 19800 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 4 NUMR19625 NUMS19625 NUML19751 RS 17.642 RL 5.000 P0 0.00000000 RSCALE 7.28155340 R 12.10000000 P0 0.00000000 RSCALE 7.06946932 R 11.90000000 P0 0.00000000 RSCALE 6.86356245 R 11.70000000 P0 0.00000000 RSCALE 6.66365286 R 11.50000000 P0 0.00000000 RSCALE 6.46956588 R 11.30000000 P0 0.00000000 RSCALE 6.28113193 R 11.10000000 P0 0.00000000 RSCALE 6.09818634 R 10.90000000 P0 0.00000000 RSCALE 5.92056926 R 10.70000000 P0 0.00000000 RSCALE 5.74812549 R 10.50000000 P0 0.00000000 RSCALE 5.58070436 R 10.30000000 P0 0.00000000 RSCALE 5.41815957 R 10.10000000 P0 0.00000000 RSCALE 5.26034910 R 9.90000000 P0 0.00000000 RSCALE 5.10713505 R 9.70000000 P0 0.00000000 RSCALE 4.95838354 R 9.50000000 P0 0.00000000 RSCALE 4.81396461 R 9.30000000 P0 0.00000000 RSCALE 4.67375204 R 9.10000000 P0 0.00000000 RSCALE 4.53762334 R 9.00000000 P0 0.00000000 RSCALE 4.40545956 R 8.80000000 P0 0.00000000 RSCALE 4.27714520 R 8.70000000 P0 0.00000000 RSCALE 4.15256816 R 8.60000000 P0 0.00000000 RSCALE 4.03161957 R 8.50000000 P0 0.00000000 RSCALE 3.91419376 R 8.40000000 P0 0.00000000 RSCALE 3.80018811 R 8.30000000 P0 0.00000000 RSCALE 3.68950302 R 8.20000000 P0 0.00000000 RSCALE 3.58204177 R 8.20000000 P0 0.00000000 RSCALE 3.47771046 R 8.10000000 P0 0.00000000 RSCALE 3.37641792 R 8.10000000 P0 0.00000000 RSCALE 3.27807565 R 8.10000000 P0 0.00000000 RSCALE 3.18259772 R 8.10000000 P0 0.00000000 RSCALE 3.08990070 R 8.10000000 P0 0.00000000 RSCALE 2.99990359 R 8.00000000 P0 0.00000000 RSCALE 2.91252776 R 8.00000000 P0 0.00000000 RSCALE 2.82769685 R 8.00000000 P0 0.00000000 RSCALE 2.74533675 R 8.00000000 P0 0.00000000 RSCALE 2.66537548 R 8.00000000 P0 0.00000000 RSCALE 2.58774319 R 8.00000000 P0 0.00000000 RSCALE 2.51237203 R 8.00000000 P0 0.00000000 RSCALE 2.43919614 R 8.00000000 P0 0.00000000 RSCALE 2.36815159 R 8.00000000 P0 0.00000000 RSCALE 2.29917631 R 8.00000000 P0 0.00000000 RSCALE 2.23221001 R 8.00000000 INWARD INTEGRATION STOPS AT 81 ORIGIN ~R**2 CNORM= 9.95786E-01 0.1000 1.703E-08 X 0.2000 6.810E-08 X 0.3000 1.532E-07 X 0.4000 2.724E-07 X 0.5000 4.256E-07 X 0.6000 6.129E-07 X 0.7000 8.342E-07 X 0.8000 1.090E-06 X 0.9000 1.379E-06 X 1.0000 1.703E-06 X 1.1000 2.060E-06 X 1.2000 2.452E-06 X 1.3000 2.877E-06 X 1.4000 3.337E-06 X 1.5000 3.831E-06 X 1.6000 4.358E-06 X 1.7000 4.920E-06 X 1.8000 5.516E-06 X 1.9000 6.146E-06 X 2.0000 6.810E-06 X 2.2000 8.240E-06 X 2.4000 9.806E-06 X 2.6000 1.151E-05 X 2.8000 1.335E-05 X 3.0000 1.532E-05 X 3.2000 1.743E-05 X 3.4000 1.968E-05 X 3.6000 2.206E-05 X 3.8000 2.458E-05 X 4.0000 2.724E-05 X 4.2000 3.003E-05 X 4.4000 3.296E-05 X 4.6000 3.602E-05 X 4.8000 3.923E-05 X 5.0000 4.256E-05 X 5.2000 4.604E-05 X 5.4000 4.964E-05 X 5.6000 5.339E-05 X 5.8000 5.727E-05 X 6.0000 6.129E-05 X 6.2000 6.544E-05 X 6.4000 6.973E-05 X 6.6000 7.416E-05 X 6.8000 7.872E-05 X 7.0000 8.342E-05 X 7.2000 8.826E-05 X 7.4000 9.323E-05 X 7.6000 9.834E-05 X 7.8000 1.036E-04 X 8.0000 1.090E-04 X 8.2000 9.440E-04 X 8.4000 2.611E-03 IX 8.6000 4.284E-03 I X 8.8000 5.965E-03 I X 9.0000 7.657E-03 I X 9.2000 9.360E-03 I X 9.4000 1.107E-02 I X 9.6000 1.280E-02 I X 9.8000 1.454E-02 I X 10.0000 1.628E-02 I X 10.4000 1.980E-02 I X 10.8000 2.333E-02 I X 11.2000 2.685E-02 I X 11.6000 3.035E-02 I X 12.0000 3.379E-02 I X 12.4000 3.715E-02 I X 12.8000 4.039E-02 I X 13.2000 4.350E-02 I X 13.6000 4.643E-02 I X 14.0000 4.917E-02 I X 14.4000 5.169E-02 I X 14.8000 5.395E-02 I X 15.2000 5.595E-02 I X 15.6000 5.765E-02 I X 16.0000 5.904E-02 I X 16.4000 6.011E-02 I X 16.8000 6.084E-02 I X 17.2000 6.122E-02 I X 17.6000 6.124E-02 I X 18.0000 6.075E-02 I X 18.4000 5.969E-02 I X 18.8000 5.810E-02 I X 19.2000 5.601E-02 I X 19.6000 5.346E-02 I X 20.0000 5.050E-02 I X 20.5000 4.626E-02 I X 21.0000 4.150E-02 I X 21.5000 3.630E-02 I X 22.0000 3.071E-02 I X 22.5000 2.482E-02 I X 23.0000 1.868E-02 I X 23.5000 1.236E-02 I X 24.0000 5.924E-03 I X 24.5000 -5.659E-04 X 25.0000 -7.051E-03 X I 25.5000 -1.347E-02 X I 26.0000 -1.978E-02 X I 26.5000 -2.591E-02 X I 27.0000 -3.181E-02 X I 27.5000 -3.745E-02 X I 28.0000 -4.277E-02 X I 28.5000 -4.773E-02 X I 29.0000 -5.229E-02 X I 29.5000 -5.643E-02 X I 30.0000 -6.010E-02 X I 31.0000 -6.600E-02 X I 32.0000 -6.983E-02 X I 33.0000 -7.153E-02 X I 34.0000 -7.110E-02 X I 35.0000 -6.860E-02 X I 36.0000 -6.415E-02 X I 37.0000 -5.793E-02 X I 38.0000 -5.015E-02 X I 39.0000 -4.104E-02 X I 40.0000 -3.088E-02 X I 41.0000 -1.994E-02 X I 42.0000 -8.510E-03 X I 43.0000 3.122E-03 IX 44.0000 1.468E-02 I X 45.0000 2.591E-02 I X 46.0000 3.657E-02 I X 47.0000 4.643E-02 I X 48.0000 5.532E-02 I X 49.0000 6.307E-02 I X 50.0000 6.955E-02 I X 51.0000 7.468E-02 I X 52.0000 7.837E-02 I X 53.0000 8.060E-02 I X 54.0000 8.137E-02 I X 55.0000 8.069E-02 I X 56.0000 7.861E-02 I X 57.0000 7.520E-02 I X 58.0000 7.054E-02 I X 59.0000 6.475E-02 I X 60.0000 5.793E-02 I X 62.0000 4.176E-02 I X 64.0000 2.315E-02 I X 66.0000 3.235E-03 IX 68.0000 -1.686E-02 X I 70.0000 -3.611E-02 X I 72.0000 -5.362E-02 X I 74.0000 -6.867E-02 X I 76.0000 -8.072E-02 X I 78.0000 -8.940E-02 X I 80.0000 -9.453E-02 X I 82.0000 -9.608E-02 X I 84.0000 -9.416E-02 X I 86.0000 -8.902E-02 X I 88.0000 -8.097E-02 X I 90.0000 -7.040E-02 X I 92.0000 -5.777E-02 X I 94.0000 -4.351E-02 X I 96.0000 -2.811E-02 X I 98.0000 -1.199E-02 X I 100.0000 4.419E-03 I X 104.0000 3.660E-02 I X 108.0000 6.592E-02 I X 112.0000 9.064E-02 I X 116.0000 1.098E-01 I X 120.0000 1.230E-01 I X 124.0000 1.306E-01 I X 128.0000 1.331E-01 I X 132.0000 1.313E-01 I X 136.0000 1.260E-01 I X 140.0000 1.183E-01 I X 144.0000 1.088E-01 I X 148.0000 9.840E-02 I X 152.0000 8.763E-02 I X 156.0000 7.697E-02 I X 160.0000 6.677E-02 I X 164.0000 5.727E-02 I X 168.0000 4.862E-02 I X 172.0000 4.087E-02 I X 176.0000 3.406E-02 I X 180.0000 2.815E-02 I X 184.0000 2.309E-02 I X 188.0000 1.880E-02 I X 192.0000 1.521E-02 I X 196.0000 1.222E-02 I X 200.0000 9.763E-03 I X 204.0000 7.756E-03 I X 208.0000 6.129E-03 I X 212.0000 4.818E-03 I X 216.0000 3.770E-03 I X 220.0000 2.936E-03 IX 224.0000 2.277E-03 IX 228.0000 1.759E-03 IX 232.0000 1.353E-03 IX 7i d10 d10 7i X 58857.4 53857.4 FIXEDHF 5000. HF8. 7i d10 d10 7i X 58857.4 53857.4 FIXEDHF 5000. HF 8.000 0.000 0.000 0.000 33 47.00 CONFIG=d10 7i d10 L=6 ELIM= 56099.000 N= 7 E= 53857.400HF E= -0.02042696 Z=1.0000 L=6.0000 STEP=-.1000 NUM= 14600 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 0 NUMR14425 NUMS14425 NUML14496 RS 17.642 RL 10.500 P0 0.00000000 RSCALE 7.76699029 R 15.40000000 P0 0.00000000 RSCALE 7.54076727 R 15.40000000 P0 0.00000000 RSCALE 7.32113327 R 15.40000000 P0 0.00000000 RSCALE 7.10789638 R 15.40000000 P0 0.00000000 RSCALE 6.90087028 R 15.30000000 P0 0.00000000 RSCALE 6.69987405 R 15.30000000 P0 0.00000000 RSCALE 6.50473209 R 15.30000000 P0 0.00000000 RSCALE 6.31527387 R 15.30000000 P0 0.00000000 RSCALE 6.13133386 R 15.30000000 P0 0.00000000 RSCALE 5.95275132 R 15.30000000 P0 0.00000000 RSCALE 5.77937021 R 15.30000000 P0 0.00000000 RSCALE 5.61103904 R 15.30000000 P0 0.00000000 RSCALE 5.44761072 R 15.30000000 P0 0.00000000 RSCALE 5.28894245 R 15.30000000 P0 0.00000000 RSCALE 5.13489558 R 15.30000000 P0 0.00000000 RSCALE 4.98533551 R 15.30000000 P0 0.00000000 RSCALE 4.84013157 R 15.30000000 P0 0.00000000 RSCALE 4.69915686 R 15.30000000 P0 0.00000000 RSCALE 4.56228821 R 15.30000000 P0 0.00000000 RSCALE 4.42940603 R 15.30000000 P0 0.00000000 RSCALE 4.30039421 R 15.30000000 INWARD INTEGRATION STOPS AT 154 ORIGIN ~R**2 CNORM= 1.00297E+00 0.1000 1.573E-08 X 0.2000 6.291E-08 X 0.3000 1.415E-07 X 0.4000 2.516E-07 X 0.5000 3.932E-07 X 0.6000 5.662E-07 X 0.7000 7.706E-07 X 0.8000 1.007E-06 X 0.9000 1.274E-06 X 1.0000 1.573E-06 X 1.1000 1.903E-06 X 1.2000 2.265E-06 X 1.3000 2.658E-06 X 1.4000 3.083E-06 X 1.5000 3.539E-06 X 1.6000 4.026E-06 X 1.7000 4.545E-06 X 1.8000 5.096E-06 X 1.9000 5.678E-06 X 2.0000 6.291E-06 X 2.2000 7.612E-06 X 2.4000 9.059E-06 X 2.6000 1.063E-05 X 2.8000 1.233E-05 X 3.0000 1.415E-05 X 3.2000 1.610E-05 X 3.4000 1.818E-05 X 3.6000 2.038E-05 X 3.8000 2.271E-05 X 4.0000 2.516E-05 X 4.2000 2.774E-05 X 4.4000 3.045E-05 X 4.6000 3.328E-05 X 4.8000 3.624E-05 X 5.0000 3.932E-05 X 5.2000 4.253E-05 X 5.4000 4.586E-05 X 5.6000 4.932E-05 X 5.8000 5.291E-05 X 6.0000 5.662E-05 X 6.2000 6.046E-05 X 6.4000 6.442E-05 X 6.6000 6.851E-05 X 6.8000 7.272E-05 X 7.0000 7.706E-05 X 7.2000 8.153E-05 X 7.4000 8.612E-05 X 7.6000 9.084E-05 X 7.8000 9.568E-05 X 8.0000 1.007E-04 X 8.2000 1.057E-04 X 8.4000 1.110E-04 X 8.6000 1.163E-04 X 8.8000 1.218E-04 X 9.0000 1.274E-04 X 9.2000 1.331E-04 X 9.4000 1.390E-04 X 9.6000 1.449E-04 X 9.8000 1.510E-04 X 10.0000 1.573E-04 X 10.4000 1.701E-04 X 10.8000 1.834E-04 X 11.2000 1.973E-04 X 11.6000 2.116E-04 X 12.0000 2.265E-04 X 12.4000 2.418E-04 X 12.8000 2.577E-04 X 13.2000 2.740E-04 X 13.6000 2.909E-04 X 14.0000 3.083E-04 X 14.4000 3.261E-04 X 14.8000 3.445E-04 X 15.2000 3.634E-04 X 15.6000 1.201E-03 X 16.0000 2.869E-03 IX 16.4000 4.565E-03 IX 16.8000 6.299E-03 I X 17.2000 8.085E-03 I X 17.6000 9.929E-03 I X 18.0000 1.180E-02 I X 18.4000 1.369E-02 I X 18.8000 1.560E-02 I X 19.2000 1.753E-02 I X 19.6000 1.949E-02 I X 20.0000 2.147E-02 I X 20.5000 2.401E-02 I X 21.0000 2.660E-02 I X 21.5000 2.927E-02 I X 22.0000 3.200E-02 I X 22.5000 3.482E-02 I X 23.0000 3.772E-02 I X 23.5000 4.070E-02 I X 24.0000 4.377E-02 I X 24.5000 4.692E-02 I X 25.0000 5.015E-02 I X 25.5000 5.347E-02 I X 26.0000 5.687E-02 I X 26.5000 6.034E-02 I X 27.0000 6.387E-02 I X 27.5000 6.747E-02 I X 28.0000 7.113E-02 I X 28.5000 7.483E-02 I X 29.0000 7.856E-02 I X 29.5000 8.232E-02 I X 30.0000 8.611E-02 I X 31.0000 9.369E-02 I X 32.0000 1.012E-01 I X 33.0000 1.087E-01 I X 34.0000 1.159E-01 I X 35.0000 1.230E-01 I X 36.0000 1.297E-01 I X 37.0000 1.361E-01 I X 38.0000 1.420E-01 I X 39.0000 1.476E-01 I X 40.0000 1.526E-01 I X 41.0000 1.572E-01 I X 42.0000 1.612E-01 I X 43.0000 1.647E-01 I X 44.0000 1.676E-01 I X 45.0000 1.699E-01 I X 46.0000 1.717E-01 I X 47.0000 1.730E-01 I X 48.0000 1.737E-01 I X 49.0000 1.739E-01 I X 50.0000 1.736E-01 I X 51.0000 1.728E-01 I X 52.0000 1.716E-01 I X 53.0000 1.699E-01 I X 54.0000 1.678E-01 I X 55.0000 1.654E-01 I X 56.0000 1.626E-01 I X 57.0000 1.595E-01 I X 58.0000 1.561E-01 I X 59.0000 1.525E-01 I X 60.0000 1.487E-01 I X 62.0000 1.405E-01 I X 64.0000 1.318E-01 I X 66.0000 1.228E-01 I X 68.0000 1.137E-01 I X 70.0000 1.046E-01 I X 72.0000 9.571E-02 I X 74.0000 8.710E-02 I X 76.0000 7.886E-02 I X 78.0000 7.105E-02 I X 80.0000 6.373E-02 I X 82.0000 5.691E-02 I X 84.0000 5.061E-02 I X 86.0000 4.483E-02 I X 88.0000 3.956E-02 I X 90.0000 3.478E-02 I X 92.0000 3.048E-02 I X 94.0000 2.662E-02 I X 96.0000 2.317E-02 I X 98.0000 2.011E-02 I X 100.0000 1.741E-02 I X 104.0000 1.293E-02 I X 108.0000 9.504E-03 I X 112.0000 6.920E-03 I X 116.0000 4.994E-03 I X 120.0000 3.574E-03 IX 124.0000 2.538E-03 IX 128.0000 1.789E-03 IX 8i d10 d10 8i Y 59383.0 54383.0 FIXEDHF 5000. HF8. 8i d10 d10 8i Y 59383.0 54383.0 FIXEDHF 5000. HF 8.000 0.000 0.000 0.000 34 47.00 CONFIG=d10 8i d10 L=6 ELIM= 56099.000 N= 8 E= 54383.000HF E= -0.01563734 Z=1.0000 L=6.0000 STEP=-.1000 NUM= 17100 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 1 NUMR16925 NUMS16925 NUML16996 RS 17.642 RL 10.500 P0 0.00000000 RSCALE 7.76699029 R 15.70000000 P0 0.00000000 RSCALE 7.54076727 R 15.70000000 P0 0.00000000 RSCALE 7.32113327 R 15.70000000 P0 0.00000000 RSCALE 7.10789638 R 15.70000000 P0 0.00000000 RSCALE 6.90087028 R 15.70000000 P0 0.00000000 RSCALE 6.69987405 R 15.70000000 P0 0.00000000 RSCALE 6.50473209 R 15.70000000 P0 0.00000000 RSCALE 6.31527387 R 15.70000000 P0 0.00000000 RSCALE 6.13133386 R 15.70000000 P0 0.00000000 RSCALE 5.95275132 R 15.70000000 P0 0.00000000 RSCALE 5.77937021 R 15.70000000 P0 0.00000000 RSCALE 5.61103904 R 15.70000000 P0 0.00000000 RSCALE 5.44761072 R 15.60000000 P0 0.00000000 RSCALE 5.28894245 R 15.60000000 P0 0.00000000 RSCALE 5.13489558 R 15.60000000 P0 0.00000000 RSCALE 4.98533551 R 15.60000000 P0 0.00000000 RSCALE 4.84013157 R 15.60000000 P0 0.00000000 RSCALE 4.69915686 R 15.60000000 P0 0.00000000 RSCALE 4.56228821 R 15.60000000 P0 0.00000000 RSCALE 4.42940603 R 15.60000000 INWARD INTEGRATION STOPS AT 157 ORIGIN ~R**2 CNORM= 1.00095E+00 0.1000 1.752E-09 X 0.2000 7.008E-09 X 0.3000 1.577E-08 X 0.4000 2.803E-08 X 0.5000 4.380E-08 X 0.6000 6.308E-08 X 0.7000 8.585E-08 X 0.8000 1.121E-07 X 0.9000 1.419E-07 X 1.0000 1.752E-07 X 1.1000 2.120E-07 X 1.2000 2.523E-07 X 1.3000 2.961E-07 X 1.4000 3.434E-07 X 1.5000 3.942E-07 X 1.6000 4.485E-07 X 1.7000 5.064E-07 X 1.8000 5.677E-07 X 1.9000 6.325E-07 X 2.0000 7.008E-07 X 2.2000 8.480E-07 X 2.4000 1.009E-06 X 2.6000 1.184E-06 X 2.8000 1.374E-06 X 3.0000 1.577E-06 X 3.2000 1.794E-06 X 3.4000 2.025E-06 X 3.6000 2.271E-06 X 3.8000 2.530E-06 X 4.0000 2.803E-06 X 4.2000 3.091E-06 X 4.4000 3.392E-06 X 4.6000 3.707E-06 X 4.8000 4.037E-06 X 5.0000 4.380E-06 X 5.2000 4.738E-06 X 5.4000 5.109E-06 X 5.6000 5.495E-06 X 5.8000 5.894E-06 X 6.0000 6.308E-06 X 6.2000 6.735E-06 X 6.4000 7.177E-06 X 6.6000 7.632E-06 X 6.8000 8.102E-06 X 7.0000 8.585E-06 X 7.2000 9.083E-06 X 7.4000 9.595E-06 X 7.6000 1.012E-05 X 7.8000 1.066E-05 X 8.0000 1.121E-05 X 8.2000 1.178E-05 X 8.4000 1.236E-05 X 8.6000 1.296E-05 X 8.8000 1.357E-05 X 9.0000 1.419E-05 X 9.2000 1.483E-05 X 9.4000 1.548E-05 X 9.6000 1.615E-05 X 9.8000 1.683E-05 X 10.0000 1.752E-05 X 10.4000 1.895E-05 X 10.8000 2.044E-05 X 11.2000 2.198E-05 X 11.6000 2.358E-05 X 12.0000 2.523E-05 X 12.4000 2.694E-05 X 12.8000 2.871E-05 X 13.2000 3.053E-05 X 13.6000 3.241E-05 X 14.0000 3.434E-05 X 14.4000 3.633E-05 X 14.8000 3.838E-05 X 15.2000 4.048E-05 X 15.6000 4.264E-05 X 16.0000 1.610E-03 IX 16.4000 3.713E-03 IX 16.8000 5.845E-03 I X 17.2000 8.019E-03 I X 17.6000 1.025E-02 I X 18.0000 1.250E-02 I X 18.4000 1.475E-02 I X 18.8000 1.702E-02 I X 19.2000 1.929E-02 I X 19.6000 2.158E-02 I X 20.0000 2.389E-02 I X 20.5000 2.680E-02 I X 21.0000 2.975E-02 I X 21.5000 3.274E-02 I X 22.0000 3.578E-02 I X 22.5000 3.885E-02 I X 23.0000 4.198E-02 I X 23.5000 4.514E-02 I X 24.0000 4.835E-02 I X 24.5000 5.159E-02 I X 25.0000 5.487E-02 I X 25.5000 5.817E-02 I X 26.0000 6.148E-02 I X 26.5000 6.480E-02 I X 27.0000 6.811E-02 I X 27.5000 7.141E-02 I X 28.0000 7.468E-02 I X 28.5000 7.791E-02 I X 29.0000 8.109E-02 I X 29.5000 8.419E-02 I X 30.0000 8.722E-02 I X 31.0000 9.296E-02 I X 32.0000 9.823E-02 I X 33.0000 1.029E-01 I X 34.0000 1.070E-01 I X 35.0000 1.103E-01 I X 36.0000 1.128E-01 I X 37.0000 1.144E-01 I X 38.0000 1.152E-01 I X 39.0000 1.151E-01 I X 40.0000 1.140E-01 I X 41.0000 1.121E-01 I X 42.0000 1.092E-01 I X 43.0000 1.054E-01 I X 44.0000 1.007E-01 I X 45.0000 9.528E-02 I X 46.0000 8.905E-02 I X 47.0000 8.211E-02 I X 48.0000 7.452E-02 I X 49.0000 6.635E-02 I X 50.0000 5.768E-02 I X 51.0000 4.856E-02 I X 52.0000 3.909E-02 I X 53.0000 2.933E-02 I X 54.0000 1.936E-02 I X 55.0000 9.252E-03 I X 56.0000 -9.170E-04 X 57.0000 -1.108E-02 X I 58.0000 -2.117E-02 X I 59.0000 -3.113E-02 X I 60.0000 -4.089E-02 X I 62.0000 -5.963E-02 X I 64.0000 -7.702E-02 X I 66.0000 -9.277E-02 X I 68.0000 -1.067E-01 X I 70.0000 -1.185E-01 X I 72.0000 -1.284E-01 X I 74.0000 -1.361E-01 X I 76.0000 -1.419E-01 X I 78.0000 -1.457E-01 X I 80.0000 -1.477E-01 X I 82.0000 -1.480E-01 X I 84.0000 -1.469E-01 X I 86.0000 -1.445E-01 X I 88.0000 -1.409E-01 X I 90.0000 -1.364E-01 X I 92.0000 -1.311E-01 X I 94.0000 -1.253E-01 X I 96.0000 -1.190E-01 X I 98.0000 -1.124E-01 X I 100.0000 -1.056E-01 X I 104.0000 -9.186E-02 X I 108.0000 -7.857E-02 X I 112.0000 -6.616E-02 X I 116.0000 -5.494E-02 X I 120.0000 -4.505E-02 X I 124.0000 -3.650E-02 X I 128.0000 -2.927E-02 X I 132.0000 -2.323E-02 X I 136.0000 -1.827E-02 X I 140.0000 -1.425E-02 X I 144.0000 -1.102E-02 X I 148.0000 -8.465E-03 X I 152.0000 -6.455E-03 X I 156.0000 -4.890E-03 X I 160.0000 -3.681E-03 XI 164.0000 -2.755E-03 XI 168.0000 -2.051E-03 XI 172.0000 -1.518E-03 XI 9i d10 d10 9i Z 59743.5 54743.5 FIXEDHF 5000. HF8. 9i d10 d10 9i Z 59743.5 54743.5 FIXEDHF 5000. HF 8.000 0.000 0.000 0.000 35 47.00 CONFIG=d10 9i d10 L=6 ELIM= 56099.000 N= 9 E= 54743.500HF E= -0.01235223 Z=1.0000 L=6.0000 STEP=-.1000 NUM= 19700 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 2 NUMR19525 NUMS19525 NUML19596 RS 17.642 RL 10.500 P0 0.00000000 RSCALE 7.76699029 R 15.80000000 P0 0.00000000 RSCALE 7.54076727 R 15.80000000 P0 0.00000000 RSCALE 7.32113327 R 15.80000000 P0 0.00000000 RSCALE 7.10789638 R 15.80000000 P0 0.00000000 RSCALE 6.90087028 R 15.80000000 P0 0.00000000 RSCALE 6.69987405 R 15.80000000 P0 0.00000000 RSCALE 6.50473209 R 15.80000000 P0 0.00000000 RSCALE 6.31527387 R 15.80000000 P0 0.00000000 RSCALE 6.13133386 R 15.80000000 P0 0.00000000 RSCALE 5.95275132 R 15.80000000 P0 0.00000000 RSCALE 5.77937021 R 15.80000000 P0 0.00000000 RSCALE 5.61103904 R 15.80000000 P0 0.00000000 RSCALE 5.44761072 R 15.80000000 P0 0.00000000 RSCALE 5.28894245 R 15.80000000 P0 0.00000000 RSCALE 5.13489558 R 15.80000000 P0 0.00000000 RSCALE 4.98533551 R 15.80000000 P0 0.00000000 RSCALE 4.84013157 R 15.80000000 P0 0.00000000 RSCALE 4.69915686 R 15.80000000 P0 0.00000000 RSCALE 4.56228821 R 15.80000000 P0 0.00000000 RSCALE 4.42940603 R 15.80000000 INWARD INTEGRATION STOPS AT 159 ORIGIN ~R**2 CNORM= 1.00059E+00 0.1000 2.074E-08 X 0.2000 8.298E-08 X 0.3000 1.867E-07 X 0.4000 3.319E-07 X 0.5000 5.186E-07 X 0.6000 7.468E-07 X 0.7000 1.016E-06 X 0.8000 1.328E-06 X 0.9000 1.680E-06 X 1.0000 2.074E-06 X 1.1000 2.510E-06 X 1.2000 2.987E-06 X 1.3000 3.506E-06 X 1.4000 4.066E-06 X 1.5000 4.668E-06 X 1.6000 5.311E-06 X 1.7000 5.995E-06 X 1.8000 6.721E-06 X 1.9000 7.489E-06 X 2.0000 8.298E-06 X 2.2000 1.004E-05 X 2.4000 1.195E-05 X 2.6000 1.402E-05 X 2.8000 1.626E-05 X 3.0000 1.867E-05 X 3.2000 2.124E-05 X 3.4000 2.398E-05 X 3.6000 2.688E-05 X 3.8000 2.996E-05 X 4.0000 3.319E-05 X 4.2000 3.659E-05 X 4.4000 4.016E-05 X 4.6000 4.390E-05 X 4.8000 4.780E-05 X 5.0000 5.186E-05 X 5.2000 5.609E-05 X 5.4000 6.049E-05 X 5.6000 6.505E-05 X 5.8000 6.978E-05 X 6.0000 7.468E-05 X 6.2000 7.974E-05 X 6.4000 8.497E-05 X 6.6000 9.036E-05 X 6.8000 9.592E-05 X 7.0000 1.016E-04 X 7.2000 1.075E-04 X 7.4000 1.136E-04 X 7.6000 1.198E-04 X 7.8000 1.262E-04 X 8.0000 1.328E-04 X 8.2000 1.395E-04 X 8.4000 1.464E-04 X 8.6000 1.534E-04 X 8.8000 1.606E-04 X 9.0000 1.680E-04 X 9.2000 1.756E-04 X 9.4000 1.833E-04 X 9.6000 1.912E-04 X 9.8000 1.992E-04 X 10.0000 2.074E-04 X 10.4000 2.244E-04 X 10.8000 2.420E-04 X 11.2000 2.602E-04 X 11.6000 2.791E-04 X 12.0000 2.987E-04 X 12.4000 3.190E-04 X 12.8000 3.399E-04 X 13.2000 3.615E-04 X 13.6000 3.837E-04 X 14.0000 4.066E-04 X 14.4000 4.302E-04 X 14.8000 4.544E-04 X 15.2000 4.793E-04 X 15.6000 5.048E-04 X 16.0000 1.057E-03 X 16.4000 3.194E-03 IX 16.8000 5.354E-03 I X 17.2000 7.550E-03 I X 17.6000 9.792E-03 I X 18.0000 1.205E-02 I X 18.4000 1.431E-02 I X 18.8000 1.657E-02 I X 19.2000 1.883E-02 I X 19.6000 2.109E-02 I X 20.0000 2.336E-02 I X 20.5000 2.621E-02 I X 21.0000 2.908E-02 I X 21.5000 3.196E-02 I X 22.0000 3.485E-02 I X 22.5000 3.776E-02 I X 23.0000 4.069E-02 I X 23.5000 4.362E-02 I X 24.0000 4.655E-02 I X 24.5000 4.949E-02 I X 25.0000 5.241E-02 I X 25.5000 5.531E-02 I X 26.0000 5.818E-02 I X 26.5000 6.100E-02 I X 27.0000 6.378E-02 I X 27.5000 6.648E-02 I X 28.0000 6.911E-02 I X 28.5000 7.164E-02 I X 29.0000 7.406E-02 I X 29.5000 7.636E-02 I X 30.0000 7.852E-02 I X 31.0000 8.237E-02 I X 32.0000 8.553E-02 I X 33.0000 8.792E-02 I X 34.0000 8.945E-02 I X 35.0000 9.007E-02 I X 36.0000 8.975E-02 I X 37.0000 8.847E-02 I X 38.0000 8.621E-02 I X 39.0000 8.298E-02 I X 40.0000 7.882E-02 I X 41.0000 7.376E-02 I X 42.0000 6.786E-02 I X 43.0000 6.118E-02 I X 44.0000 5.380E-02 I X 45.0000 4.581E-02 I X 46.0000 3.730E-02 I X 47.0000 2.837E-02 I X 48.0000 1.912E-02 I X 49.0000 9.657E-03 I X 50.0000 9.103E-05 X 51.0000 -9.477E-03 X I 52.0000 -1.894E-02 X I 53.0000 -2.821E-02 X I 54.0000 -3.718E-02 X I 55.0000 -4.577E-02 X I 56.0000 -5.390E-02 X I 57.0000 -6.149E-02 X I 58.0000 -6.848E-02 X I 59.0000 -7.481E-02 X I 60.0000 -8.043E-02 X I 62.0000 -8.939E-02 X I 64.0000 -9.516E-02 X I 66.0000 -9.764E-02 X I 68.0000 -9.689E-02 X I 70.0000 -9.306E-02 X I 72.0000 -8.638E-02 X I 74.0000 -7.718E-02 X I 76.0000 -6.582E-02 X I 78.0000 -5.270E-02 X I 80.0000 -3.823E-02 X I 82.0000 -2.283E-02 X I 84.0000 -6.896E-03 X I 86.0000 9.189E-03 I X 88.0000 2.509E-02 I X 90.0000 4.049E-02 I X 92.0000 5.514E-02 I X 94.0000 6.881E-02 I X 96.0000 8.135E-02 I X 98.0000 9.260E-02 I X 100.0000 1.025E-01 I X 104.0000 1.180E-01 I X 108.0000 1.280E-01 I X 112.0000 1.327E-01 I X 116.0000 1.328E-01 I X 120.0000 1.292E-01 I X 124.0000 1.226E-01 I X 128.0000 1.141E-01 I X 132.0000 1.042E-01 I X 136.0000 9.366E-02 I X 140.0000 8.299E-02 I X 144.0000 7.258E-02 I X 148.0000 6.274E-02 I X 152.0000 5.365E-02 I X 156.0000 4.542E-02 I X 160.0000 3.810E-02 I X 164.0000 3.169E-02 I X 168.0000 2.615E-02 I X 172.0000 2.142E-02 I X 176.0000 1.742E-02 I X 180.0000 1.408E-02 I X 184.0000 1.131E-02 I X 188.0000 9.028E-03 I X 192.0000 7.168E-03 I X 196.0000 5.662E-03 I X 200.0000 4.450E-03 I X 204.0000 3.481E-03 IX 208.0000 2.711E-03 IX 212.0000 2.102E-03 IX 216.0000 1.624E-03 IX 7i d9 5s d9 5s7i a 101041.0 92541.0 FIXEDHF 8500. HF8. 7i d9 5s d9 5s7i a 101041.0 92541.0 FIXEDHF 8500. HF 8.000 0.000 0.000 0.000 36 47.00 CONFIG=d9 5s7i d9 5s L=6 ELIM= 94783.100 N= 7 E= 92541.000HF E= -0.02043152 Z=1.0000 L=6.0000 STEP=-.1000 NUM= 14600 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 0 NUMR14425 NUMS14425 NUML14496 RS 17.642 RL 10.500 P0 0.00000000 RSCALE 7.76699029 R 15.20000000 P0 0.00000000 RSCALE 7.54076727 R 15.20000000 P0 0.00000000 RSCALE 7.32113327 R 15.20000000 P0 0.00000000 RSCALE 7.10789638 R 15.10000000 P0 0.00000000 RSCALE 6.90087028 R 15.10000000 P0 0.00000000 RSCALE 6.69987405 R 15.10000000 P0 0.00000000 RSCALE 6.50473209 R 15.10000000 P0 0.00000000 RSCALE 6.31527387 R 15.10000000 P0 0.00000000 RSCALE 6.13133386 R 15.00000000 P0 0.00000000 RSCALE 5.95275132 R 15.00000000 P0 0.00000000 RSCALE 5.77937021 R 15.00000000 P0 0.00000000 RSCALE 5.61103904 R 15.00000000 P0 0.00000000 RSCALE 5.44761072 R 15.00000000 P0 0.00000000 RSCALE 5.28894245 R 15.00000000 P0 0.00000000 RSCALE 5.13489558 R 15.00000000 P0 0.00000000 RSCALE 4.98533551 R 15.00000000 P0 0.00000000 RSCALE 4.84013157 R 15.00000000 P0 0.00000000 RSCALE 4.69915686 R 15.00000000 P0 0.00000000 RSCALE 4.56228821 R 15.00000000 P0 0.00000000 RSCALE 4.42940603 R 15.00000000 P0 0.00000000 RSCALE 4.30039421 R 15.00000000 P0 0.00000000 RSCALE 4.17514001 R 15.00000000 INWARD INTEGRATION STOPS AT 151 ORIGIN ~R**2 CNORM= 1.00365E+00 0.1000 1.204E-08 X 0.2000 4.816E-08 X 0.3000 1.084E-07 X 0.4000 1.926E-07 X 0.5000 3.010E-07 X 0.6000 4.334E-07 X 0.7000 5.899E-07 X 0.8000 7.705E-07 X 0.9000 9.752E-07 X 1.0000 1.204E-06 X 1.1000 1.457E-06 X 1.2000 1.734E-06 X 1.3000 2.035E-06 X 1.4000 2.360E-06 X 1.5000 2.709E-06 X 1.6000 3.082E-06 X 1.7000 3.479E-06 X 1.8000 3.901E-06 X 1.9000 4.346E-06 X 2.0000 4.816E-06 X 2.2000 5.827E-06 X 2.4000 6.935E-06 X 2.6000 8.139E-06 X 2.8000 9.439E-06 X 3.0000 1.084E-05 X 3.2000 1.233E-05 X 3.4000 1.392E-05 X 3.6000 1.560E-05 X 3.8000 1.738E-05 X 4.0000 1.926E-05 X 4.2000 2.124E-05 X 4.4000 2.331E-05 X 4.6000 2.548E-05 X 4.8000 2.774E-05 X 5.0000 3.010E-05 X 5.2000 3.255E-05 X 5.4000 3.511E-05 X 5.6000 3.776E-05 X 5.8000 4.050E-05 X 6.0000 4.334E-05 X 6.2000 4.628E-05 X 6.4000 4.931E-05 X 6.6000 5.244E-05 X 6.8000 5.567E-05 X 7.0000 5.899E-05 X 7.2000 6.241E-05 X 7.4000 6.593E-05 X 7.6000 6.954E-05 X 7.8000 7.325E-05 X 8.0000 7.705E-05 X 8.2000 8.095E-05 X 8.4000 8.495E-05 X 8.6000 8.904E-05 X 8.8000 9.323E-05 X 9.0000 9.752E-05 X 9.2000 1.019E-04 X 9.4000 1.064E-04 X 9.6000 1.110E-04 X 9.8000 1.156E-04 X 10.0000 1.204E-04 X 10.4000 1.302E-04 X 10.8000 1.404E-04 X 11.2000 1.510E-04 X 11.6000 1.620E-04 X 12.0000 1.734E-04 X 12.4000 1.851E-04 X 12.8000 1.973E-04 X 13.2000 2.098E-04 X 13.6000 2.227E-04 X 14.0000 2.360E-04 X 14.4000 2.496E-04 X 14.8000 2.637E-04 X 15.2000 6.684E-04 X 15.6000 2.251E-03 IX 16.0000 3.857E-03 IX 16.4000 5.499E-03 I X 16.8000 7.190E-03 I X 17.2000 8.937E-03 I X 17.6000 1.075E-02 I X 18.0000 1.260E-02 I X 18.4000 1.446E-02 I X 18.8000 1.634E-02 I X 19.2000 1.824E-02 I X 19.6000 2.018E-02 I X 20.0000 2.214E-02 I X 20.5000 2.465E-02 I X 21.0000 2.722E-02 I X 21.5000 2.986E-02 I X 22.0000 3.257E-02 I X 22.5000 3.537E-02 I X 23.0000 3.824E-02 I X 23.5000 4.121E-02 I X 24.0000 4.425E-02 I X 24.5000 4.739E-02 I X 25.0000 5.061E-02 I X 25.5000 5.391E-02 I X 26.0000 5.729E-02 I X 26.5000 6.075E-02 I X 27.0000 6.428E-02 I X 27.5000 6.786E-02 I X 28.0000 7.150E-02 I X 28.5000 7.519E-02 I X 29.0000 7.892E-02 I X 29.5000 8.267E-02 I X 30.0000 8.644E-02 I X 31.0000 9.400E-02 I X 32.0000 1.015E-01 I X 33.0000 1.089E-01 I X 34.0000 1.162E-01 I X 35.0000 1.232E-01 I X 36.0000 1.299E-01 I X 37.0000 1.362E-01 I X 38.0000 1.422E-01 I X 39.0000 1.477E-01 I X 40.0000 1.527E-01 I X 41.0000 1.573E-01 I X 42.0000 1.613E-01 I X 43.0000 1.647E-01 I X 44.0000 1.676E-01 I X 45.0000 1.700E-01 I X 46.0000 1.717E-01 I X 47.0000 1.730E-01 I X 48.0000 1.737E-01 I X 49.0000 1.739E-01 I X 50.0000 1.735E-01 I X 51.0000 1.727E-01 I X 52.0000 1.715E-01 I X 53.0000 1.698E-01 I X 54.0000 1.677E-01 I X 55.0000 1.652E-01 I X 56.0000 1.624E-01 I X 57.0000 1.593E-01 I X 58.0000 1.560E-01 I X 59.0000 1.523E-01 I X 60.0000 1.485E-01 I X 62.0000 1.403E-01 I X 64.0000 1.316E-01 I X 66.0000 1.226E-01 I X 68.0000 1.135E-01 I X 70.0000 1.044E-01 I X 72.0000 9.556E-02 I X 74.0000 8.695E-02 I X 76.0000 7.872E-02 I X 78.0000 7.093E-02 I X 80.0000 6.361E-02 I X 82.0000 5.680E-02 I X 84.0000 5.051E-02 I X 86.0000 4.474E-02 I X 88.0000 3.947E-02 I X 90.0000 3.471E-02 I X 92.0000 3.041E-02 I X 94.0000 2.656E-02 I X 96.0000 2.312E-02 I X 98.0000 2.006E-02 I X 100.0000 1.736E-02 I X 104.0000 1.289E-02 I X 108.0000 9.478E-03 I X 112.0000 6.900E-03 I X 116.0000 4.979E-03 I X 120.0000 3.563E-03 IX 124.0000 2.530E-03 IX 128.0000 1.783E-03 IX 8i d9 5s d9 5s8i b 101566.2 93066.2 FIXEDHF 8500. HF8. 8i d9 5s d9 5s8i b 101566.2 93066.2 FIXEDHF 8500. HF 8.000 0.000 0.000 0.000 37 47.00 CONFIG=d9 5s8i d9 5s L=6 ELIM= 94783.100 N= 8 E= 93066.200HF E= -0.01564554 Z=1.0000 L=6.0000 STEP=-.1000 NUM= 17100 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 1 NUMR16925 NUMS16925 NUML16996 RS 17.642 RL 10.500 P0 0.00000000 RSCALE 7.76699029 R 15.50000000 P0 0.00000000 RSCALE 7.54076727 R 15.50000000 P0 0.00000000 RSCALE 7.32113327 R 15.40000000 P0 0.00000000 RSCALE 7.10789638 R 15.40000000 P0 0.00000000 RSCALE 6.90087028 R 15.40000000 P0 0.00000000 RSCALE 6.69987405 R 15.40000000 P0 0.00000000 RSCALE 6.50473209 R 15.40000000 P0 0.00000000 RSCALE 6.31527387 R 15.40000000 P0 0.00000000 RSCALE 6.13133386 R 15.40000000 P0 0.00000000 RSCALE 5.95275132 R 15.40000000 P0 0.00000000 RSCALE 5.77937021 R 15.30000000 P0 0.00000000 RSCALE 5.61103904 R 15.30000000 P0 0.00000000 RSCALE 5.44761072 R 15.30000000 P0 0.00000000 RSCALE 5.28894245 R 15.30000000 P0 0.00000000 RSCALE 5.13489558 R 15.30000000 P0 0.00000000 RSCALE 4.98533551 R 15.30000000 P0 0.00000000 RSCALE 4.84013157 R 15.30000000 P0 0.00000000 RSCALE 4.69915686 R 15.30000000 P0 0.00000000 RSCALE 4.56228821 R 15.30000000 P0 0.00000000 RSCALE 4.42940603 R 15.30000000 P0 0.00000000 RSCALE 4.30039421 R 15.30000000 INWARD INTEGRATION STOPS AT 154 ORIGIN ~R**2 CNORM= 1.00147E+00 0.1000 4.835E-09 X 0.2000 1.934E-08 X 0.3000 4.352E-08 X 0.4000 7.736E-08 X 0.5000 1.209E-07 X 0.6000 1.741E-07 X 0.7000 2.369E-07 X 0.8000 3.095E-07 X 0.9000 3.917E-07 X 1.0000 4.835E-07 X 1.1000 5.851E-07 X 1.2000 6.963E-07 X 1.3000 8.172E-07 X 1.4000 9.477E-07 X 1.5000 1.088E-06 X 1.6000 1.238E-06 X 1.7000 1.397E-06 X 1.8000 1.567E-06 X 1.9000 1.746E-06 X 2.0000 1.934E-06 X 2.2000 2.340E-06 X 2.4000 2.785E-06 X 2.6000 3.269E-06 X 2.8000 3.791E-06 X 3.0000 4.352E-06 X 3.2000 4.951E-06 X 3.4000 5.590E-06 X 3.6000 6.266E-06 X 3.8000 6.982E-06 X 4.0000 7.736E-06 X 4.2000 8.529E-06 X 4.4000 9.361E-06 X 4.6000 1.023E-05 X 4.8000 1.114E-05 X 5.0000 1.209E-05 X 5.2000 1.307E-05 X 5.4000 1.410E-05 X 5.6000 1.516E-05 X 5.8000 1.627E-05 X 6.0000 1.741E-05 X 6.2000 1.859E-05 X 6.4000 1.981E-05 X 6.6000 2.106E-05 X 6.8000 2.236E-05 X 7.0000 2.369E-05 X 7.2000 2.507E-05 X 7.4000 2.648E-05 X 7.6000 2.793E-05 X 7.8000 2.942E-05 X 8.0000 3.095E-05 X 8.2000 3.251E-05 X 8.4000 3.412E-05 X 8.6000 3.576E-05 X 8.8000 3.744E-05 X 9.0000 3.917E-05 X 9.2000 4.093E-05 X 9.4000 4.272E-05 X 9.6000 4.456E-05 X 9.8000 4.644E-05 X 10.0000 4.835E-05 X 10.4000 5.230E-05 X 10.8000 5.640E-05 X 11.2000 6.065E-05 X 11.6000 6.506E-05 X 12.0000 6.963E-05 X 12.4000 7.435E-05 X 12.8000 7.922E-05 X 13.2000 8.425E-05 X 13.6000 8.943E-05 X 14.0000 9.477E-05 X 14.4000 1.003E-04 X 14.8000 1.059E-04 X 15.2000 1.117E-04 X 15.6000 1.113E-03 X 16.0000 3.120E-03 IX 16.4000 5.154E-03 I X 16.8000 7.229E-03 I X 17.2000 9.356E-03 I X 17.6000 1.155E-02 I X 18.0000 1.376E-02 I X 18.4000 1.598E-02 I X 18.8000 1.821E-02 I X 19.2000 2.045E-02 I X 19.6000 2.271E-02 I X 20.0000 2.499E-02 I X 20.5000 2.786E-02 I X 21.0000 3.078E-02 I X 21.5000 3.374E-02 I X 22.0000 3.674E-02 I X 22.5000 3.978E-02 I X 23.0000 4.288E-02 I X 23.5000 4.601E-02 I X 24.0000 4.919E-02 I X 24.5000 5.241E-02 I X 25.0000 5.565E-02 I X 25.5000 5.893E-02 I X 26.0000 6.221E-02 I X 26.5000 6.550E-02 I X 27.0000 6.879E-02 I X 27.5000 7.207E-02 I X 28.0000 7.531E-02 I X 28.5000 7.851E-02 I X 29.0000 8.166E-02 I X 29.5000 8.474E-02 I X 30.0000 8.773E-02 I X 31.0000 9.343E-02 I X 32.0000 9.864E-02 I X 33.0000 1.033E-01 I X 34.0000 1.072E-01 I X 35.0000 1.105E-01 I X 36.0000 1.129E-01 I X 37.0000 1.145E-01 I X 38.0000 1.153E-01 I X 39.0000 1.151E-01 I X 40.0000 1.139E-01 I X 41.0000 1.119E-01 I X 42.0000 1.090E-01 I X 43.0000 1.051E-01 I X 44.0000 1.004E-01 I X 45.0000 9.492E-02 I X 46.0000 8.865E-02 I X 47.0000 8.167E-02 I X 48.0000 7.405E-02 I X 49.0000 6.585E-02 I X 50.0000 5.714E-02 I X 51.0000 4.800E-02 I X 52.0000 3.851E-02 I X 53.0000 2.873E-02 I X 54.0000 1.875E-02 I X 55.0000 8.644E-03 I X 56.0000 -1.526E-03 XI 57.0000 -1.169E-02 X I 58.0000 -2.177E-02 X I 59.0000 -3.172E-02 X I 60.0000 -4.147E-02 X I 62.0000 -6.017E-02 X I 64.0000 -7.751E-02 X I 66.0000 -9.320E-02 X I 68.0000 -1.070E-01 X I 70.0000 -1.189E-01 X I 72.0000 -1.286E-01 X I 74.0000 -1.363E-01 X I 76.0000 -1.420E-01 X I 78.0000 -1.457E-01 X I 80.0000 -1.477E-01 X I 82.0000 -1.480E-01 X I 84.0000 -1.468E-01 X I 86.0000 -1.443E-01 X I 88.0000 -1.407E-01 X I 90.0000 -1.362E-01 X I 92.0000 -1.309E-01 X I 94.0000 -1.250E-01 X I 96.0000 -1.187E-01 X I 98.0000 -1.121E-01 X I 100.0000 -1.053E-01 X I 104.0000 -9.159E-02 X I 108.0000 -7.831E-02 X I 112.0000 -6.592E-02 X I 116.0000 -5.473E-02 X I 120.0000 -4.486E-02 X I 124.0000 -3.634E-02 X I 128.0000 -2.913E-02 X I 132.0000 -2.311E-02 X I 136.0000 -1.817E-02 X I 140.0000 -1.417E-02 X I 144.0000 -1.096E-02 X I 148.0000 -8.414E-03 X I 152.0000 -6.414E-03 X I 156.0000 -4.858E-03 X I 160.0000 -3.656E-03 XI 164.0000 -2.736E-03 XI 168.0000 -2.036E-03 XI 172.0000 -1.507E-03 XI 9i d9 5s d9 5s9i c 101926.7 93426.7 FIXEDHF 8500. HF8. 9i d9 5s d9 5s9i c 101926.7 93426.7 FIXEDHF 8500. HF 8.000 0.000 0.000 0.000 38 47.00 CONFIG=d9 5s9i d9 5s L=6 ELIM= 94783.100 N= 9 E= 93426.700HF E= -0.01236043 Z=1.0000 L=6.0000 STEP=-.1000 NUM= 19600 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 2 NUMR19425 NUMS19425 NUML19496 RS 17.642 RL 10.500 P0 0.00000000 RSCALE 7.76699029 R 15.60000000 P0 0.00000000 RSCALE 7.54076727 R 15.60000000 P0 0.00000000 RSCALE 7.32113327 R 15.50000000 P0 0.00000000 RSCALE 7.10789638 R 15.50000000 P0 0.00000000 RSCALE 6.90087028 R 15.50000000 P0 0.00000000 RSCALE 6.69987405 R 15.50000000 P0 0.00000000 RSCALE 6.50473209 R 15.50000000 P0 0.00000000 RSCALE 6.31527387 R 15.50000000 P0 0.00000000 RSCALE 6.13133386 R 15.50000000 P0 0.00000000 RSCALE 5.95275132 R 15.50000000 P0 0.00000000 RSCALE 5.77937021 R 15.50000000 P0 0.00000000 RSCALE 5.61103904 R 15.50000000 P0 0.00000000 RSCALE 5.44761072 R 15.50000000 P0 0.00000000 RSCALE 5.28894245 R 15.50000000 P0 0.00000000 RSCALE 5.13489558 R 15.50000000 P0 0.00000000 RSCALE 4.98533551 R 15.50000000 P0 0.00000000 RSCALE 4.84013157 R 15.50000000 P0 0.00000000 RSCALE 4.69915686 R 15.50000000 P0 0.00000000 RSCALE 4.56228821 R 15.50000000 P0 0.00000000 RSCALE 4.42940603 R 15.50000000 P0 0.00000000 RSCALE 4.30039421 R 15.50000000 INWARD INTEGRATION STOPS AT 156 ORIGIN ~R**2 CNORM= 1.00100E+00 0.1000 2.090E-08 X 0.2000 8.360E-08 X 0.3000 1.881E-07 X 0.4000 3.344E-07 X 0.5000 5.225E-07 X 0.6000 7.524E-07 X 0.7000 1.024E-06 X 0.8000 1.338E-06 X 0.9000 1.693E-06 X 1.0000 2.090E-06 X 1.1000 2.529E-06 X 1.2000 3.010E-06 X 1.3000 3.532E-06 X 1.4000 4.097E-06 X 1.5000 4.703E-06 X 1.6000 5.351E-06 X 1.7000 6.040E-06 X 1.8000 6.772E-06 X 1.9000 7.545E-06 X 2.0000 8.360E-06 X 2.2000 1.012E-05 X 2.4000 1.204E-05 X 2.6000 1.413E-05 X 2.8000 1.639E-05 X 3.0000 1.881E-05 X 3.2000 2.140E-05 X 3.4000 2.416E-05 X 3.6000 2.709E-05 X 3.8000 3.018E-05 X 4.0000 3.344E-05 X 4.2000 3.687E-05 X 4.4000 4.046E-05 X 4.6000 4.423E-05 X 4.8000 4.815E-05 X 5.0000 5.225E-05 X 5.2000 5.652E-05 X 5.4000 6.095E-05 X 5.6000 6.554E-05 X 5.8000 7.031E-05 X 6.0000 7.524E-05 X 6.2000 8.034E-05 X 6.4000 8.561E-05 X 6.6000 9.104E-05 X 6.8000 9.664E-05 X 7.0000 1.024E-04 X 7.2000 1.083E-04 X 7.4000 1.145E-04 X 7.6000 1.207E-04 X 7.8000 1.272E-04 X 8.0000 1.338E-04 X 8.2000 1.405E-04 X 8.4000 1.475E-04 X 8.6000 1.546E-04 X 8.8000 1.619E-04 X 9.0000 1.693E-04 X 9.2000 1.769E-04 X 9.4000 1.847E-04 X 9.6000 1.926E-04 X 9.8000 2.007E-04 X 10.0000 2.090E-04 X 10.4000 2.261E-04 X 10.8000 2.438E-04 X 11.2000 2.622E-04 X 11.6000 2.812E-04 X 12.0000 3.010E-04 X 12.4000 3.214E-04 X 12.8000 3.424E-04 X 13.2000 3.642E-04 X 13.6000 3.866E-04 X 14.0000 4.097E-04 X 14.4000 4.334E-04 X 14.8000 4.578E-04 X 15.2000 4.829E-04 X 15.6000 5.086E-04 X 16.0000 2.564E-03 IX 16.4000 4.640E-03 I X 16.8000 6.751E-03 I X 17.2000 8.906E-03 I X 17.6000 1.112E-02 I X 18.0000 1.335E-02 I X 18.4000 1.557E-02 I X 18.8000 1.780E-02 I X 19.2000 2.003E-02 I X 19.6000 2.227E-02 I X 20.0000 2.451E-02 I X 20.5000 2.733E-02 I X 21.0000 3.015E-02 I X 21.5000 3.300E-02 I X 22.0000 3.586E-02 I X 22.5000 3.874E-02 I X 23.0000 4.163E-02 I X 23.5000 4.453E-02 I X 24.0000 4.744E-02 I X 24.5000 5.033E-02 I X 25.0000 5.322E-02 I X 25.5000 5.609E-02 I X 26.0000 5.893E-02 I X 26.5000 6.172E-02 I X 27.0000 6.446E-02 I X 27.5000 6.713E-02 I X 28.0000 6.972E-02 I X 28.5000 7.222E-02 I X 29.0000 7.460E-02 I X 29.5000 7.686E-02 I X 30.0000 7.898E-02 I X 31.0000 8.276E-02 I X 32.0000 8.585E-02 I X 33.0000 8.814E-02 I X 34.0000 8.959E-02 I X 35.0000 9.013E-02 I X 36.0000 8.973E-02 I X 37.0000 8.836E-02 I X 38.0000 8.602E-02 I X 39.0000 8.271E-02 I X 40.0000 7.847E-02 I X 41.0000 7.334E-02 I X 42.0000 6.738E-02 I X 43.0000 6.064E-02 I X 44.0000 5.321E-02 I X 45.0000 4.517E-02 I X 46.0000 3.662E-02 I X 47.0000 2.766E-02 I X 48.0000 1.839E-02 I X 49.0000 8.918E-03 I X 50.0000 -6.538E-04 X 51.0000 -1.022E-02 X I 52.0000 -1.967E-02 X I 53.0000 -2.892E-02 X I 54.0000 -3.787E-02 X I 55.0000 -4.643E-02 X I 56.0000 -5.452E-02 X I 57.0000 -6.207E-02 X I 58.0000 -6.900E-02 X I 59.0000 -7.528E-02 X I 60.0000 -8.084E-02 X I 62.0000 -8.968E-02 X I 64.0000 -9.532E-02 X I 66.0000 -9.767E-02 X I 68.0000 -9.679E-02 X I 70.0000 -9.283E-02 X I 72.0000 -8.604E-02 X I 74.0000 -7.673E-02 X I 76.0000 -6.528E-02 X I 78.0000 -5.209E-02 X I 80.0000 -3.757E-02 X I 82.0000 -2.213E-02 X I 84.0000 -6.182E-03 X I 86.0000 9.907E-03 I X 88.0000 2.579E-02 I X 90.0000 4.117E-02 I X 92.0000 5.578E-02 I X 94.0000 6.941E-02 I X 96.0000 8.189E-02 I X 98.0000 9.309E-02 I X 100.0000 1.029E-01 I X 104.0000 1.183E-01 I X 108.0000 1.281E-01 I X 112.0000 1.327E-01 I X 116.0000 1.327E-01 I X 120.0000 1.290E-01 I X 124.0000 1.224E-01 I X 128.0000 1.138E-01 I X 132.0000 1.039E-01 I X 136.0000 9.335E-02 I X 140.0000 8.268E-02 I X 144.0000 7.229E-02 I X 148.0000 6.246E-02 I X 152.0000 5.339E-02 I X 156.0000 4.519E-02 I X 160.0000 3.789E-02 I X 164.0000 3.151E-02 I X 168.0000 2.599E-02 I X 172.0000 2.128E-02 I X 176.0000 1.730E-02 I X 180.0000 1.398E-02 I X 184.0000 1.122E-02 I X 188.0000 8.959E-03 I X 192.0000 7.112E-03 I X 196.0000 5.616E-03 I X 200.0000 4.413E-03 I X 204.0000 3.451E-03 IX 208.0000 2.687E-03 IX 212.0000 2.083E-03 IX 216.0000 1.608E-03 IX 9l d10 d10 9l d 59743.5 54743.5 FIXEDHF 5000. HF8. 9l d10 d10 9l d 59743.5 54743.5 FIXEDHF 5000. HF 8.000 0.000 0.000 0.000 39 47.00 CONFIG=d10 9l d10 L=8 ELIM= 56099.000 N= 9 E= 54743.500HF E= -0.01235223 Z=1.0000 L=8.0000 STEP=-.1000 NUM= 19400 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 0 NUMR19221 NUMS19225 NUML19221 RS 17.642 RL 18.000 INWARD INTEGRATION STOPS AT 279 ORIGIN ~R**2 CNORM= 1.00329E+00 0.1000 1.112E-07 X 0.2000 4.447E-07 X 0.3000 1.001E-06 X 0.4000 1.779E-06 X 0.5000 2.779E-06 X 0.6000 4.002E-06 X 0.7000 5.447E-06 X 0.8000 7.115E-06 X 0.9000 9.005E-06 X 1.0000 1.112E-05 X 1.1000 1.345E-05 X 1.2000 1.601E-05 X 1.3000 1.879E-05 X 1.4000 2.179E-05 X 1.5000 2.501E-05 X 1.6000 2.846E-05 X 1.7000 3.213E-05 X 1.8000 3.602E-05 X 1.9000 4.013E-05 X 2.0000 4.447E-05 X 2.2000 5.380E-05 X 2.4000 6.403E-05 X 2.6000 7.515E-05 X 2.8000 8.715E-05 X 3.0000 1.001E-04 X 3.2000 1.138E-04 X 3.4000 1.285E-04 X 3.6000 1.441E-04 X 3.8000 1.605E-04 X 4.0000 1.779E-04 X 4.2000 1.961E-04 X 4.4000 2.152E-04 X 4.6000 2.352E-04 X 4.8000 2.561E-04 X 5.0000 2.779E-04 X 5.2000 3.006E-04 X 5.4000 3.242E-04 X 5.6000 3.486E-04 X 5.8000 3.740E-04 X 6.0000 4.002E-04 X 6.2000 4.273E-04 X 6.4000 4.553E-04 X 6.6000 4.842E-04 X 6.8000 5.140E-04 X 7.0000 5.447E-04 X 7.2000 5.763E-04 X 7.4000 6.087E-04 X 7.6000 6.421E-04 X 7.8000 6.763E-04 X 8.0000 7.115E-04 X 8.2000 7.475E-04 X 8.4000 7.844E-04 X 8.6000 8.222E-04 X 8.8000 8.609E-04 X 9.0000 9.005E-04 X 9.2000 9.409E-04 X 9.4000 9.823E-04 X 9.6000 1.025E-03 X 9.8000 1.068E-03 X 10.0000 1.112E-03 X 10.4000 1.202E-03 X 10.8000 1.297E-03 X 11.2000 1.394E-03 IX 11.6000 1.496E-03 IX 12.0000 1.601E-03 IX 12.4000 1.709E-03 IX 12.8000 1.821E-03 IX 13.2000 1.937E-03 IX 13.6000 2.056E-03 IX 14.0000 2.179E-03 IX 14.4000 2.305E-03 IX 14.8000 2.435E-03 IX 15.2000 2.568E-03 IX 15.6000 2.705E-03 IX 16.0000 2.846E-03 IX 16.4000 2.990E-03 IX 16.8000 3.138E-03 IX 17.2000 3.289E-03 IX 17.6000 3.444E-03 IX 18.0000 3.602E-03 IX 18.4000 3.764E-03 IX 18.8000 3.929E-03 I X 19.2000 4.098E-03 I X 19.6000 4.271E-03 I X 20.0000 4.447E-03 I X 20.5000 4.672E-03 I X 21.0000 4.902E-03 I X 21.5000 5.139E-03 I X 22.0000 5.380E-03 I X 22.5000 5.628E-03 I X 23.0000 5.881E-03 I X 23.5000 6.139E-03 I X 24.0000 6.403E-03 I X 24.5000 6.673E-03 I X 25.0000 6.948E-03 I X 25.5000 7.229E-03 I X 26.0000 7.515E-03 I X 26.5000 7.807E-03 I X 27.0000 8.104E-03 I X 27.5000 8.407E-03 I X 28.0000 8.656E-03 I X 28.5000 8.709E-03 I X 29.0000 8.829E-03 I X 29.5000 9.014E-03 I X 30.0000 9.259E-03 I X 31.0000 9.928E-03 I X 32.0000 1.082E-02 I X 33.0000 1.194E-02 I X 34.0000 1.326E-02 I X 35.0000 1.480E-02 I X 36.0000 1.654E-02 I X 37.0000 1.849E-02 I X 38.0000 2.064E-02 I X 39.0000 2.299E-02 I X 40.0000 2.553E-02 I X 41.0000 2.826E-02 I X 42.0000 3.116E-02 I X 43.0000 3.425E-02 I X 44.0000 3.749E-02 I X 45.0000 4.089E-02 I X 46.0000 4.443E-02 I X 47.0000 4.810E-02 I X 48.0000 5.188E-02 I X 49.0000 5.576E-02 I X 50.0000 5.973E-02 I X 51.0000 6.377E-02 I X 52.0000 6.786E-02 I X 53.0000 7.198E-02 I X 54.0000 7.613E-02 I X 55.0000 8.027E-02 I X 56.0000 8.440E-02 I X 57.0000 8.849E-02 I X 58.0000 9.253E-02 I X 59.0000 9.650E-02 I X 60.0000 1.004E-01 I X 62.0000 1.079E-01 I X 64.0000 1.148E-01 I X 66.0000 1.212E-01 I X 68.0000 1.269E-01 I X 70.0000 1.318E-01 I X 72.0000 1.359E-01 I X 74.0000 1.392E-01 I X 76.0000 1.416E-01 I X 78.0000 1.432E-01 I X 80.0000 1.440E-01 I X 82.0000 1.439E-01 I X 84.0000 1.431E-01 I X 86.0000 1.416E-01 I X 88.0000 1.394E-01 I X 90.0000 1.366E-01 I X 92.0000 1.333E-01 I X 94.0000 1.295E-01 I X 96.0000 1.253E-01 I X 98.0000 1.207E-01 I X 100.0000 1.159E-01 I X 104.0000 1.057E-01 I X 108.0000 9.519E-02 I X 112.0000 8.464E-02 I X 116.0000 7.440E-02 I X 120.0000 6.470E-02 I X 124.0000 5.571E-02 I X 128.0000 4.752E-02 I X 132.0000 4.018E-02 I X 136.0000 3.369E-02 I X 140.0000 2.804E-02 I X 144.0000 2.316E-02 I X 148.0000 1.900E-02 I X 152.0000 1.548E-02 I X 156.0000 1.254E-02 I X 160.0000 1.009E-02 I X 164.0000 8.080E-03 I X 168.0000 6.434E-03 I X 172.0000 5.097E-03 I X 176.0000 4.019E-03 I X 180.0000 3.154E-03 IX 184.0000 2.464E-03 IX 188.0000 1.917E-03 IX 192.0000 1.485E-03 IX 9l d9 5s d9 5s9l e 101926.7 93426.7 FIXEDHF 8500. HF8. 9l d9 5s d9 5s9l e 101926.7 93426.7 FIXEDHF 8500. HF 8.000 0.000 0.000 0.000 40 47.00 CONFIG=d9 5s9l d9 5s L=8 ELIM= 94783.100 N= 9 E= 93426.700HF E= -0.01236043 Z=1.0000 L=8.0000 STEP=-.1000 NUM= 19400 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 0 NUMR19221 NUMS19225 NUML19221 RS 17.642 RL 18.000 INWARD INTEGRATION STOPS AT 302 ORIGIN ~R**2 CNORM= 1.00661E+00 0.1000 1.535E-07 X 0.2000 6.141E-07 X 0.3000 1.382E-06 X 0.4000 2.456E-06 X 0.5000 3.838E-06 X 0.6000 5.527E-06 X 0.7000 7.522E-06 X 0.8000 9.825E-06 X 0.9000 1.244E-05 X 1.0000 1.535E-05 X 1.1000 1.858E-05 X 1.2000 2.211E-05 X 1.3000 2.594E-05 X 1.4000 3.009E-05 X 1.5000 3.454E-05 X 1.6000 3.930E-05 X 1.7000 4.437E-05 X 1.8000 4.974E-05 X 1.9000 5.542E-05 X 2.0000 6.141E-05 X 2.2000 7.430E-05 X 2.4000 8.843E-05 X 2.6000 1.038E-04 X 2.8000 1.204E-04 X 3.0000 1.382E-04 X 3.2000 1.572E-04 X 3.4000 1.775E-04 X 3.6000 1.990E-04 X 3.8000 2.217E-04 X 4.0000 2.456E-04 X 4.2000 2.708E-04 X 4.4000 2.972E-04 X 4.6000 3.248E-04 X 4.8000 3.537E-04 X 5.0000 3.838E-04 X 5.2000 4.151E-04 X 5.4000 4.477E-04 X 5.6000 4.814E-04 X 5.8000 5.164E-04 X 6.0000 5.527E-04 X 6.2000 5.901E-04 X 6.4000 6.288E-04 X 6.6000 6.687E-04 X 6.8000 7.099E-04 X 7.0000 7.522E-04 X 7.2000 7.958E-04 X 7.4000 8.407E-04 X 7.6000 8.867E-04 X 7.8000 9.340E-04 X 8.0000 9.825E-04 X 8.2000 1.032E-03 X 8.4000 1.083E-03 X 8.6000 1.135E-03 X 8.8000 1.189E-03 X 9.0000 1.244E-03 X 9.2000 1.299E-03 X 9.4000 1.357E-03 IX 9.6000 1.415E-03 IX 9.8000 1.474E-03 IX 10.0000 1.535E-03 IX 10.4000 1.660E-03 IX 10.8000 1.791E-03 IX 11.2000 1.926E-03 IX 11.6000 2.066E-03 IX 12.0000 2.211E-03 IX 12.4000 2.361E-03 IX 12.8000 2.515E-03 IX 13.2000 2.675E-03 IX 13.6000 2.840E-03 IX 14.0000 3.009E-03 IX 14.4000 3.183E-03 IX 14.8000 3.363E-03 IX 15.2000 3.547E-03 IX 15.6000 3.736E-03 IX 16.0000 3.930E-03 I X 16.4000 4.129E-03 I X 16.8000 4.333E-03 I X 17.2000 4.542E-03 I X 17.6000 4.755E-03 I X 18.0000 4.974E-03 I X 18.4000 5.198E-03 I X 18.8000 5.426E-03 I X 19.2000 5.659E-03 I X 19.6000 5.898E-03 I X 20.0000 6.141E-03 I X 20.5000 6.452E-03 I X 21.0000 6.770E-03 I X 21.5000 7.096E-03 I X 22.0000 7.430E-03 I X 22.5000 7.772E-03 I X 23.0000 8.121E-03 I X 23.5000 8.478E-03 I X 24.0000 8.843E-03 I X 24.5000 9.215E-03 I X 25.0000 9.595E-03 I X 25.5000 9.983E-03 I X 26.0000 1.038E-02 I X 26.5000 1.078E-02 I X 27.0000 1.119E-02 I X 27.5000 1.161E-02 I X 28.0000 1.204E-02 I X 28.5000 1.247E-02 I X 29.0000 1.291E-02 I X 29.5000 1.336E-02 I X 30.0000 1.382E-02 I X 31.0000 1.413E-02 I X 32.0000 1.457E-02 I X 33.0000 1.531E-02 I X 34.0000 1.633E-02 I X 35.0000 1.760E-02 I X 36.0000 1.912E-02 I X 37.0000 2.087E-02 I X 38.0000 2.286E-02 I X 39.0000 2.506E-02 I X 40.0000 2.747E-02 I X 41.0000 3.009E-02 I X 42.0000 3.290E-02 I X 43.0000 3.589E-02 I X 44.0000 3.905E-02 I X 45.0000 4.237E-02 I X 46.0000 4.584E-02 I X 47.0000 4.944E-02 I X 48.0000 5.317E-02 I X 49.0000 5.699E-02 I X 50.0000 6.090E-02 I X 51.0000 6.488E-02 I X 52.0000 6.892E-02 I X 53.0000 7.299E-02 I X 54.0000 7.708E-02 I X 55.0000 8.118E-02 I X 56.0000 8.525E-02 I X 57.0000 8.930E-02 I X 58.0000 9.329E-02 I X 59.0000 9.721E-02 I X 60.0000 1.011E-01 I X 62.0000 1.084E-01 I X 64.0000 1.153E-01 I X 66.0000 1.216E-01 I X 68.0000 1.271E-01 I X 70.0000 1.320E-01 I X 72.0000 1.360E-01 I X 74.0000 1.392E-01 I X 76.0000 1.416E-01 I X 78.0000 1.431E-01 I X 80.0000 1.437E-01 I X 82.0000 1.436E-01 I X 84.0000 1.428E-01 I X 86.0000 1.412E-01 I X 88.0000 1.389E-01 I X 90.0000 1.361E-01 I X 92.0000 1.328E-01 I X 94.0000 1.289E-01 I X 96.0000 1.247E-01 I X 98.0000 1.202E-01 I X 100.0000 1.154E-01 I X 104.0000 1.052E-01 I X 108.0000 9.463E-02 I X 112.0000 8.410E-02 I X 116.0000 7.390E-02 I X 120.0000 6.424E-02 I X 124.0000 5.529E-02 I X 128.0000 4.714E-02 I X 132.0000 3.985E-02 I X 136.0000 3.341E-02 I X 140.0000 2.779E-02 I X 144.0000 2.294E-02 I X 148.0000 1.882E-02 I X 152.0000 1.533E-02 I X 156.0000 1.241E-02 I X 160.0000 9.988E-03 I X 164.0000 7.994E-03 I X 168.0000 6.364E-03 I X 172.0000 5.040E-03 I X 176.0000 3.973E-03 I X 180.0000 3.117E-03 IX 184.0000 2.434E-03 IX 188.0000 1.893E-03 IX 192.0000 1.467E-03 IX 4d d8 5p2 d9 5p2 f 107404.8 96404.8 FIXEDHF 11000. HF 4d d8 5p2 d9 5p2 f 107404.8 96404.8 FIXEDHF 11000. HF 0.000 0.000 0.000 0.000 41 47.00 CONFIG=d9 5p2 d8 5p2 L=2 ELIM= 249637.100 N= 4 E= 96404.800HF E= -1.39635553 Z=1.0000 L=2.0000 STEP=-.1000 NUM= 1600 NSAVE= 1600 IRREG=0 IFITER=99 NNODES= 1 NUMR 1425 NUMS 1425 NUML 1586 RS 17.642 RL 1.500 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 RMAX 1.33273057 RMIN -1.00000000 RSCALE 1.29391318 RMAX 1.29391318 RMIN -1.00000000 RSCALE 1.25622639 RMAX 1.25622639 RMIN -1.00000000 RSCALE 1.21963727 DEL 115.45884934 RSCALE 1.21963727 DEL 14.67406395 RSCALE 1.20779827 DEL 12.72237717 RSCALE 1.20607453 DEL 6.14097589 RSCALE 1.19483809 DEL 3.57760057 RSCALE 1.18435360 DEL 2.03744440 RSCALE 1.17285709 DEL 1.09629285 RSCALE 1.16147219 DEL 0.46320996 RSCALE 1.15019780 DEL 0.11528667 RSCALE 1.14194862 DEL 0.01567371 RSCALE 1.13921520 DEL 0.00061223 RSCALE 1.13878511 DEL 0.00000339 RSCALE 1.13876763 DEL 0.00000000 RSCALE 1.13876753 CNORM= 1.36588E+00 0.1000 2.512E-01 I X 0.2000 5.015E-01 I X 0.3000 3.644E-01 I X 0.4000 2.217E-02 IX 0.5000 -3.371E-01 X I 0.6000 -6.254E-01 X I 0.7000 -8.214E-01 X I 0.8000 -9.337E-01 X I 0.9000 -9.807E-01 X I 1.0000 -9.809E-01 X I 1.1000 -9.499E-01 X I 1.2000 -8.994E-01 X I 1.3000 -8.381E-01 X I 1.4000 -7.720E-01 X I 1.5000 -7.050E-01 X I 1.6000 -6.397E-01 X I 1.7000 -5.777E-01 X I 1.8000 -5.198E-01 X I 1.9000 -4.664E-01 X I 2.0000 -4.177E-01 X I 2.2000 -3.336E-01 X I 2.4000 -2.656E-01 X I 2.6000 -2.112E-01 X I 2.8000 -1.679E-01 X I 3.0000 -1.336E-01 X I 3.2000 -1.063E-01 X I 3.4000 -8.470E-02 X I 3.6000 -6.756E-02 X I 3.8000 -5.394E-02 X I 4.0000 -4.310E-02 X I 4.2000 -3.446E-02 X I 4.4000 -2.757E-02 X I 4.6000 -2.207E-02 XI 4.8000 -1.767E-02 XI 5.0000 -1.415E-02 XI 5.2000 -1.133E-02 XI 5p d9 5p d9 5p2 f 107404.8 96404.8 FIXEDHF 11000. HF 5p d9 5p d9 5p2 f 107404.8 96404.8 FIXEDHF 11000. HF 0.000 0.000 0.000 0.000 41 47.00 CONFIG=d9 5p2 d9 5p L=1 ELIM= 135787.000 N= 5 E= 96404.800HF E= -0.35887703 Z=1.0000 L=1.0000 STEP=-.1000 NUM= 3200 NSAVE= 3200 IRREG=0 IFITER=99 NNODES= 3 NUMR 3025 NUMS 3025 NUML 3196 RS 17.642 RL 0.500 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 DEL -0.90830388 RSCALE 1.33273057 DEL -0.96913529 RSCALE 1.34579418 DEL -0.90830387 RSCALE 1.33273057 DEL -0.84382138 RSCALE 1.31979378 DEL -0.77510764 RSCALE 1.30698256 DEL -0.70140246 RSCALE 1.29429570 DEL -0.62202228 RSCALE 1.28173199 DEL -0.53606245 RSCALE 1.26929024 DEL -0.44250787 RSCALE 1.25696926 DEL -0.34030176 RSCALE 1.24476787 DEL -0.22770920 RSCALE 1.23268493 DEL -0.10328435 RSCALE 1.22071928 DEL 0.01145089 RSCALE 1.21078666 DEL -0.00051822 RSCALE 1.21177796 DEL -0.00000249 RSCALE 1.21173504 DEL 0.00000000 RSCALE 1.21173483 CNORM= 1.01899E+00 0.1000 7.628E-02 I X 0.2000 -1.166E-01 X I 0.3000 -1.368E-01 X I 0.4000 -1.448E-02 XI 0.5000 1.237E-01 I X 0.6000 2.135E-01 I X 0.7000 2.419E-01 I X 0.8000 2.193E-01 I X 0.9000 1.621E-01 I X 1.0000 8.539E-02 I X 1.1000 5.096E-04 X 1.2000 -8.465E-02 X I 1.3000 -1.652E-01 X I 1.4000 -2.384E-01 X I 1.5000 -3.030E-01 X I 1.6000 -3.588E-01 X I 1.7000 -4.058E-01 X I 1.8000 -4.448E-01 X I 1.9000 -4.765E-01 X I 2.0000 -5.018E-01 X I 2.2000 -5.359E-01 X I 2.4000 -5.529E-01 X I 2.6000 -5.575E-01 X I 2.8000 -5.533E-01 X I 3.0000 -5.429E-01 X I 3.2000 -5.283E-01 X I 3.4000 -5.108E-01 X I 3.6000 -4.914E-01 X I 3.8000 -4.708E-01 X I 4.0000 -4.495E-01 X I 4.2000 -4.279E-01 X I 4.4000 -4.062E-01 X I 4.6000 -3.847E-01 X I 4.8000 -3.634E-01 X I 5.0000 -3.426E-01 X I 5.2000 -3.222E-01 X I 5.4000 -3.025E-01 X I 5.6000 -2.835E-01 X I 5.8000 -2.653E-01 X I 6.0000 -2.478E-01 X I 6.2000 -2.311E-01 X I 6.4000 -2.152E-01 X I 6.6000 -2.002E-01 X I 6.8000 -1.859E-01 X I 7.0000 -1.725E-01 X I 7.2000 -1.599E-01 X I 7.4000 -1.480E-01 X I 7.6000 -1.368E-01 X I 7.8000 -1.264E-01 X I 8.0000 -1.167E-01 X I 8.2000 -1.076E-01 X I 8.4000 -9.910E-02 X I 8.6000 -9.122E-02 X I 8.8000 -8.390E-02 X I 9.0000 -7.711E-02 X I 9.2000 -7.082E-02 X I 9.4000 -6.500E-02 X I 9.6000 -5.961E-02 X I 9.8000 -5.464E-02 X I 10.0000 -5.005E-02 X I 10.4000 -4.192E-02 X I 10.8000 -3.503E-02 X I 11.2000 -2.921E-02 X I 11.6000 -2.431E-02 X I 12.0000 -2.020E-02 X I 12.4000 -1.675E-02 X I 12.8000 -1.387E-02 XI 13.2000 -1.147E-02 XI 13.6000 -9.471E-03 XI 14.0000 -7.810E-03 XI 14.4000 -6.431E-03 XI 4d d9 5p d10 5p 1 31035.4 26423.3 5000. 4d d9 5p d10 5p 1 31035.4 26423.3 5000. 0.000 0.000 0.000 0.000 1 47.00 CONFIG=d10 5p d9 5p L=2 ELIM= 148006.000 N= 4 E= 31035.400 E= -1.06591459 Z=1.0000 L=2.0000 STEP=-.1000 NUM= 1800 NSAVE= 1800 IRREG=0 IFITER=99 NNODES= 1 NUMR 1625 NUMS 1625 NUML 1786 RS 17.642 RL 1.500 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 RMAX 1.33273057 RMIN -1.00000000 RSCALE 1.29391318 RMAX 1.29391318 RMIN -1.00000000 RSCALE 1.25622639 RMAX 1.25622639 RMIN -1.00000000 RSCALE 1.21963727 RMAX 1.21963727 RMIN -1.00000000 RSCALE 1.18411385 DEL 8.79362346 RSCALE 1.18411385 DEL 4.96827500 RSCALE 1.17261968 DEL 2.98740155 RSCALE 1.16123707 DEL 1.78241372 RSCALE 1.14996496 DEL 0.97592347 RSCALE 1.13880227 DEL 0.40074288 RSCALE 1.12774794 DEL 0.08724276 RSCALE 1.12004610 DEL 0.00981195 RSCALE 1.11790278 DEL 0.00027095 RSCALE 1.11763119 DEL 0.00000087 RSCALE 1.11762347 DEL 0.00000000 RSCALE 1.11762345 CNORM= 1.68209E+00 0.1000 2.333E-01 I X 0.2000 4.720E-01 I X 0.3000 3.551E-01 I X 0.4000 4.365E-02 I X 0.5000 -2.909E-01 X I 0.6000 -5.660E-01 X I 0.7000 -7.596E-01 X I 0.8000 -8.773E-01 X I 0.9000 -9.345E-01 X I 1.0000 -9.472E-01 X I 1.1000 -9.292E-01 X I 1.2000 -8.913E-01 X I 1.3000 -8.415E-01 X I 1.4000 -7.853E-01 X I 1.5000 -7.268E-01 X I 1.6000 -6.684E-01 X I 1.7000 -6.118E-01 X I 1.8000 -5.582E-01 X I 1.9000 -5.079E-01 X I 2.0000 -4.613E-01 X I 2.2000 -3.792E-01 X I 2.4000 -3.109E-01 X I 2.6000 -2.547E-01 X I 2.8000 -2.087E-01 X I 3.0000 -1.712E-01 X I 3.2000 -1.406E-01 X I 3.4000 -1.156E-01 X I 3.6000 -9.513E-02 X I 3.8000 -7.840E-02 X I 4.0000 -6.468E-02 X I 4.2000 -5.340E-02 X I 4.4000 -4.411E-02 X I 4.6000 -3.646E-02 X I 4.8000 -3.014E-02 X I 5.0000 -2.492E-02 XI 5.2000 -2.061E-02 XI 5.4000 -1.705E-02 XI 5.6000 -1.410E-02 XI 5.8000 -1.166E-02 XI 6.0000 -9.648E-03 XI 5p d10 d10 5p 1 31035.4 26423.3 5000. 5p d10 d10 5p 1 31035.4 26423.3 5000. 0.000 0.000 0.000 0.000 1 47.00 CONFIG=d10 5p d10 L=1 ELIM= 64089.600 N= 5 E= 31035.400 E= -0.30121205 Z=1.0000 L=1.0000 STEP=-.1000 NUM= 3500 NSAVE= 3500 IRREG=0 IFITER=99 NNODES= 3 NUMR 3325 NUMS 3325 NUML 3496 RS 17.642 RL 0.500 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 RMAX 1.33273057 RMIN -1.00000000 RSCALE 1.29391318 DEL -0.98558236 RSCALE 1.29391318 RMAX 1.30659629 RMIN -1.00000000 RSCALE 1.30025473 RMAX 1.30025473 RMIN -1.00000000 RSCALE 1.29708395 RMAX 1.29708395 RMIN -1.00000000 RSCALE 1.29549857 DEL -0.99382873 RSCALE 1.29549857 DEL -0.92658953 RSCALE 1.28292318 DEL -0.85540394 RSCALE 1.27046986 DEL -0.77958139 RSCALE 1.25813743 DEL -0.69847416 RSCALE 1.24592471 DEL -0.61087728 RSCALE 1.23383054 DEL -0.51607670 RSCALE 1.22185377 DEL -0.41288425 RSCALE 1.20999325 DEL -0.29992690 RSCALE 1.19824786 DEL -0.17561710 RSCALE 1.18661649 DEL -0.03806376 RSCALE 1.17509802 DEL 0.00289190 RSCALE 1.17191063 DEL -0.00004423 RSCALE 1.17213569 DEL -0.00000005 RSCALE 1.17213230 DEL 0.00000000 RSCALE 1.17213230 CNORM= 1.01557E+00 0.1000 6.252E-02 I X 0.2000 -9.222E-02 X I 0.3000 -1.138E-01 X I 0.4000 -2.038E-02 X I 0.5000 9.072E-02 I X 0.6000 1.678E-01 I X 0.7000 1.987E-01 I X 0.8000 1.895E-01 I X 0.9000 1.519E-01 I X 1.0000 9.682E-02 I X 1.1000 3.314E-02 I X 1.2000 -3.296E-02 X I 1.3000 -9.743E-02 X I 1.4000 -1.578E-01 X I 1.5000 -2.129E-01 X I 1.6000 -2.620E-01 X I 1.7000 -3.051E-01 X I 1.8000 -3.425E-01 X I 1.9000 -3.745E-01 X I 2.0000 -4.017E-01 X I 2.2000 -4.434E-01 X I 2.4000 -4.712E-01 X I 2.6000 -4.885E-01 X I 2.8000 -4.978E-01 X I 3.0000 -5.010E-01 X I 3.2000 -4.996E-01 X I 3.4000 -4.946E-01 X I 3.6000 -4.868E-01 X I 3.8000 -4.769E-01 X I 4.0000 -4.653E-01 X I 4.2000 -4.523E-01 X I 4.4000 -4.382E-01 X I 4.6000 -4.232E-01 X I 4.8000 -4.075E-01 X I 5.0000 -3.914E-01 X I 5.2000 -3.750E-01 X I 5.4000 -3.584E-01 X I 5.6000 -3.418E-01 X I 5.8000 -3.253E-01 X I 6.0000 -3.091E-01 X I 6.2000 -2.931E-01 X I 6.4000 -2.775E-01 X I 6.6000 -2.622E-01 X I 6.8000 -2.475E-01 X I 7.0000 -2.332E-01 X I 7.2000 -2.195E-01 X I 7.4000 -2.063E-01 X I 7.6000 -1.937E-01 X I 7.8000 -1.817E-01 X I 8.0000 -1.702E-01 X I 8.2000 -1.592E-01 X I 8.4000 -1.488E-01 X I 8.6000 -1.390E-01 X I 8.8000 -1.297E-01 X I 9.0000 -1.209E-01 X I 9.2000 -1.126E-01 X I 9.4000 -1.048E-01 X I 9.6000 -9.747E-02 X I 9.8000 -9.058E-02 X I 10.0000 -8.412E-02 X I 10.4000 -7.240E-02 X I 10.8000 -6.215E-02 X I 11.2000 -5.322E-02 X I 11.6000 -4.548E-02 X I 12.0000 -3.879E-02 X I 12.4000 -3.301E-02 X I 12.8000 -2.805E-02 X I 13.2000 -2.379E-02 X I 13.6000 -2.015E-02 X I 14.0000 -1.703E-02 X I 14.4000 -1.438E-02 X I 14.8000 -1.213E-02 XI 15.2000 -1.021E-02 XI 15.6000 -8.590E-03 XI 16.0000 -7.216E-03 XI 16.4000 -6.056E-03 XI 16.8000 -5.077E-03 XI 6p d10 d10 6p 2 48571.6 43881.2 5000. 6p d10 d10 6p 2 48571.6 43881.2 5000. 0.000 0.000 0.000 0.000 2 47.00 CONFIG=d10 6p d10 L=1 ELIM= 64089.600 N= 6 E= 48571.600 E= -0.14141043 Z=1.0000 L=1.0000 STEP=-.1000 NUM= 5200 NSAVE= 5200 IRREG=0 IFITER=99 NNODES= 4 NUMR 5025 NUMS 5025 NUML 5196 RS 17.642 RL 0.500 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 DEL -0.90601396 RSCALE 1.41389386 DEL -0.94948999 RSCALE 1.42775304 DEL -0.90601330 RSCALE 1.41389386 DEL -0.85969125 RSCALE 1.40016922 DEL -0.81017800 RSCALE 1.38657780 DEL -0.75708560 RSCALE 1.37311831 DEL -0.70004828 RSCALE 1.35978947 DEL -0.63834796 RSCALE 1.34659001 DEL -0.57163059 RSCALE 1.33351868 DEL -0.49916246 RSCALE 1.32057424 DEL -0.42017600 RSCALE 1.30775544 DEL -0.33394485 RSCALE 1.29506108 DEL -0.23897137 RSCALE 1.28248994 DEL -0.13430272 RSCALE 1.27004083 DEL -0.01848803 RSCALE 1.25771257 DEL 0.00126568 RSCALE 1.25574455 DEL -0.00001113 RSCALE 1.25587064 DEL -0.00000001 RSCALE 1.25586955 CNORM= 9.78662E-01 0.1000 2.846E-02 I X 0.2000 -4.516E-02 X I 0.3000 -5.000E-02 X I 0.4000 -9.254E-04 X 0.5000 5.148E-02 I X 0.6000 8.265E-02 I X 0.7000 8.879E-02 I X 0.8000 7.506E-02 I X 0.9000 4.864E-02 I X 1.0000 1.586E-02 I X 1.1000 -1.864E-02 X I 1.2000 -5.178E-02 X I 1.3000 -8.175E-02 X I 1.4000 -1.076E-01 X I 1.5000 -1.291E-01 X I 1.6000 -1.461E-01 X I 1.7000 -1.590E-01 X I 1.8000 -1.682E-01 X I 1.9000 -1.739E-01 X I 2.0000 -1.766E-01 X I 2.2000 -1.747E-01 X I 2.4000 -1.651E-01 X I 2.6000 -1.499E-01 X I 2.8000 -1.306E-01 X I 3.0000 -1.086E-01 X I 3.2000 -8.467E-02 X I 3.4000 -5.945E-02 X I 3.6000 -3.345E-02 X I 3.8000 -7.064E-03 XI 4.0000 1.940E-02 I X 4.2000 4.568E-02 I X 4.4000 7.156E-02 I X 4.6000 9.684E-02 I X 4.8000 1.213E-01 I X 5.0000 1.449E-01 I X 5.2000 1.675E-01 I X 5.4000 1.889E-01 I X 5.6000 2.092E-01 I X 5.8000 2.281E-01 I X 6.0000 2.458E-01 I X 6.2000 2.621E-01 I X 6.4000 2.770E-01 I X 6.6000 2.906E-01 I X 6.8000 3.028E-01 I X 7.0000 3.138E-01 I X 7.2000 3.234E-01 I X 7.4000 3.317E-01 I X 7.6000 3.389E-01 I X 7.8000 3.448E-01 I X 8.0000 3.497E-01 I X 8.2000 3.534E-01 I X 8.4000 3.561E-01 I X 8.6000 3.579E-01 I X 8.8000 3.587E-01 I X 9.0000 3.586E-01 I X 9.2000 3.578E-01 I X 9.4000 3.562E-01 I X 9.6000 3.539E-01 I X 9.8000 3.510E-01 I X 10.0000 3.475E-01 I X 10.4000 3.389E-01 I X 10.8000 3.285E-01 I X 11.2000 3.168E-01 I X 11.6000 3.039E-01 I X 12.0000 2.903E-01 I X 12.4000 2.762E-01 I X 12.8000 2.617E-01 I X 13.2000 2.472E-01 I X 13.6000 2.326E-01 I X 14.0000 2.183E-01 I X 14.4000 2.043E-01 I X 14.8000 1.907E-01 I X 15.2000 1.775E-01 I X 15.6000 1.649E-01 I X 16.0000 1.528E-01 I X 16.4000 1.413E-01 I X 16.8000 1.304E-01 I X 17.2000 1.202E-01 I X 17.6000 1.105E-01 I X 18.0000 1.015E-01 I X 18.4000 9.306E-02 I X 18.8000 8.518E-02 I X 19.2000 7.787E-02 I X 19.6000 7.108E-02 I X 20.0000 6.480E-02 I X 20.5000 5.762E-02 I X 21.0000 5.115E-02 I X 21.5000 4.532E-02 I X 22.0000 4.009E-02 I X 22.5000 3.540E-02 I X 23.0000 3.122E-02 I X 23.5000 2.749E-02 I X 24.0000 2.417E-02 I X 24.5000 2.123E-02 I X 25.0000 1.862E-02 I X 25.5000 1.631E-02 I X 26.0000 1.427E-02 I X 26.5000 1.248E-02 I X 27.0000 1.089E-02 I X 27.5000 9.503E-03 IX 28.0000 8.281E-03 IX 28.5000 7.210E-03 IX 29.0000 6.271E-03 IX 29.5000 5.450E-03 IX 30.0000 4.732E-03 IX 7p d10 d10 7p 3 54154.2 49273.4 5000. 7p d10 d10 7p 3 54154.2 49273.4 5000. 0.000 0.000 0.000 0.000 3 47.00 CONFIG=d10 7p d10 L=1 ELIM= 64089.600 N= 7 E= 54154.200 E= -0.09053803 Z=1.0000 L=1.0000 STEP=-.1000 NUM= 6600 NSAVE= 6600 IRREG=0 IFITER=99 NNODES= 5 NUMR 6425 NUMS 6425 NUML 6596 RS 17.642 RL 0.500 DEL 0.05968078 RSCALE 1.50000000 DEL 0.22430800 RSCALE 1.48543952 DEL 0.05984705 RSCALE 1.50000000 DEL 0.00698916 RSCALE 1.50529853 DEL 0.00024657 RSCALE 1.50599913 DEL 0.00000134 RSCALE 1.50602475 DEL 0.00000015 RSCALE 1.50602489 DEL 0.00000006 RSCALE 1.50602491 DEL -0.00042148 RSCALE 1.50602492 DEL 0.00000013 RSCALE 1.50602491 DEL 0.00000013 RSCALE 1.50602491 DEL 0.00000013 RSCALE 1.50602491 DEL 0.00000010 RSCALE 1.50602492 DEL -0.00054696 RSCALE 1.50602493 DEL -0.00011514 RSCALE 1.50602492 DEL 0.00000013 RSCALE 1.50602491 DEL 0.00000013 RSCALE 1.50602491 DEL -0.00000020 RSCALE 1.50602495 DEL 0.00000000 RSCALE 1.50602493 CNORM= 9.92965E-01 0.1000 1.620E-02 I X 0.2000 -3.019E-02 X I 0.3000 -2.477E-02 X I 0.4000 1.194E-02 I X 0.5000 4.163E-02 I X 0.6000 5.029E-02 I X 0.7000 4.007E-02 I X 0.8000 1.847E-02 I X 0.9000 -7.286E-03 XI 1.0000 -3.201E-02 X I 1.1000 -5.266E-02 X I 1.2000 -6.785E-02 X I 1.3000 -7.727E-02 X I 1.4000 -8.128E-02 X I 1.5000 -8.055E-02 X I 1.6000 -7.588E-02 X I 1.7000 -6.808E-02 X I 1.8000 -5.789E-02 X I 1.9000 -4.596E-02 X I 2.0000 -3.283E-02 X I 2.2000 -4.727E-03 XI 2.4000 2.378E-02 I X 2.6000 5.110E-02 I X 2.8000 7.632E-02 I X 3.0000 9.899E-02 I X 3.2000 1.190E-01 I X 3.4000 1.362E-01 I X 3.6000 1.507E-01 I X 3.8000 1.627E-01 I X 4.0000 1.723E-01 I X 4.2000 1.796E-01 I X 4.4000 1.847E-01 I X 4.6000 1.878E-01 I X 4.8000 1.889E-01 I X 5.0000 1.882E-01 I X 5.2000 1.857E-01 I X 5.4000 1.817E-01 I X 5.6000 1.760E-01 I X 5.8000 1.690E-01 I X 6.0000 1.606E-01 I X 6.2000 1.510E-01 I X 6.4000 1.404E-01 I X 6.6000 1.288E-01 I X 6.8000 1.163E-01 I X 7.0000 1.030E-01 I X 7.2000 8.916E-02 I X 7.4000 7.475E-02 I X 7.6000 5.992E-02 I X 7.8000 4.476E-02 I X 8.0000 2.936E-02 I X 8.2000 1.381E-02 I X 8.4000 -1.812E-03 X 8.6000 -1.742E-02 X I 8.8000 -3.296E-02 X I 9.0000 -4.834E-02 X I 9.2000 -6.352E-02 X I 9.4000 -7.844E-02 X I 9.6000 -9.305E-02 X I 9.8000 -1.073E-01 X I 10.0000 -1.211E-01 X I 10.4000 -1.475E-01 X I 10.8000 -1.719E-01 X I 11.2000 -1.942E-01 X I 11.6000 -2.143E-01 X I 12.0000 -2.320E-01 X I 12.4000 -2.475E-01 X I 12.8000 -2.606E-01 X I 13.2000 -2.716E-01 X I 13.6000 -2.804E-01 X I 14.0000 -2.871E-01 X I 14.4000 -2.919E-01 X I 14.8000 -2.949E-01 X I 15.2000 -2.962E-01 X I 15.6000 -2.960E-01 X I 16.0000 -2.944E-01 X I 16.4000 -2.915E-01 X I 16.8000 -2.876E-01 X I 17.2000 -2.826E-01 X I 17.6000 -2.768E-01 X I 18.0000 -2.702E-01 X I 18.4000 -2.630E-01 X I 18.8000 -2.553E-01 X I 19.2000 -2.472E-01 X I 19.6000 -2.387E-01 X I 20.0000 -2.301E-01 X I 20.5000 -2.190E-01 X I 21.0000 -2.078E-01 X I 21.5000 -1.966E-01 X I 22.0000 -1.854E-01 X I 22.5000 -1.745E-01 X I 23.0000 -1.638E-01 X I 23.5000 -1.534E-01 X I 24.0000 -1.433E-01 X I 24.5000 -1.336E-01 X I 25.0000 -1.243E-01 X I 25.5000 -1.155E-01 X I 26.0000 -1.071E-01 X I 26.5000 -9.912E-02 X I 27.0000 -9.160E-02 X I 27.5000 -8.452E-02 X I 28.0000 -7.787E-02 X I 28.5000 -7.164E-02 X I 29.0000 -6.582E-02 X I 29.5000 -6.039E-02 X I 30.0000 -5.534E-02 X I 31.0000 -4.631E-02 X I 32.0000 -3.858E-02 X I 33.0000 -3.201E-02 X I 34.0000 -2.645E-02 X I 35.0000 -2.178E-02 X I 36.0000 -1.788E-02 X I 37.0000 -1.463E-02 X I 38.0000 -1.193E-02 X I 39.0000 -9.704E-03 X I 40.0000 -7.873E-03 XI 41.0000 -6.371E-03 XI 42.0000 -5.143E-03 XI 43.0000 -4.143E-03 XI 44.0000 -3.330E-03 XI 8p d10 d10 8p 4 56679.0 51735.0 5000. 8p d10 d10 8p 4 56679.0 51735.0 5000. 0.000 0.000 0.000 0.000 4 47.00 CONFIG=d10 8p d10 L=1 ELIM= 64089.600 N= 8 E= 56679.000 E= -0.06753036 Z=1.0000 L=1.0000 STEP=-.1000 NUM= 7700 NSAVE= 7700 IRREG=0 IFITER=99 NNODES= 6 NUMR 7525 NUMS 7525 NUML 7696 RS 17.642 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 DEL 4.65708096 RSCALE 1.73891111 DEL 292.01590368 RSCALE 1.72203153 DEL 4.65708836 RSCALE 1.73891111 DEL 4.54693501 RSCALE 1.73918467 DEL 2.26948357 RSCALE 1.75047672 DEL 1.26840016 RSCALE 1.76172926 DEL 0.59432174 RSCALE 1.77598654 DEL 0.23747773 RSCALE 1.78855690 DEL 0.06394914 RSCALE 1.79692241 DEL 0.01153460 RSCALE 1.80000529 DEL 0.00028562 RSCALE 1.80068372 DEL 0.00000015 RSCALE 1.80070095 DEL 0.00000000 RSCALE 1.80070096 CNORM= 9.90697E-01 0.1000 1.217E-02 I X 0.2000 -2.575E-02 X I 0.3000 -1.504E-02 X I 0.4000 1.782E-02 I X 0.5000 3.712E-02 I X 0.6000 3.427E-02 I X 0.7000 1.594E-02 I X 0.8000 -8.104E-03 X I 0.9000 -3.029E-02 X I 1.0000 -4.638E-02 X I 1.1000 -5.485E-02 X I 1.2000 -5.594E-02 X I 1.3000 -5.079E-02 X I 1.4000 -4.091E-02 X I 1.5000 -2.782E-02 X I 1.6000 -1.287E-02 X I 1.7000 2.821E-03 IX 1.8000 1.840E-02 I X 1.9000 3.323E-02 I X 2.0000 4.686E-02 I X 2.2000 6.955E-02 I X 2.4000 8.553E-02 I X 2.6000 9.497E-02 I X 2.8000 9.860E-02 I X 3.0000 9.734E-02 I X 3.2000 9.210E-02 I X 3.4000 8.372E-02 I X 3.6000 7.295E-02 I X 3.8000 6.038E-02 I X 4.0000 4.654E-02 I X 4.2000 3.184E-02 I X 4.4000 1.661E-02 I X 4.6000 1.137E-03 X 4.8000 -1.435E-02 X I 5.0000 -2.968E-02 X I 5.2000 -4.467E-02 X I 5.4000 -5.920E-02 X I 5.6000 -7.315E-02 X I 5.8000 -8.643E-02 X I 6.0000 -9.895E-02 X I 6.2000 -1.106E-01 X I 6.4000 -1.214E-01 X I 6.6000 -1.312E-01 X I 6.8000 -1.401E-01 X I 7.0000 -1.479E-01 X I 7.2000 -1.547E-01 X I 7.4000 -1.604E-01 X I 7.6000 -1.650E-01 X I 7.8000 -1.686E-01 X I 8.0000 -1.711E-01 X I 8.2000 -1.726E-01 X I 8.4000 -1.731E-01 X I 8.6000 -1.726E-01 X I 8.8000 -1.711E-01 X I 9.0000 -1.687E-01 X I 9.2000 -1.655E-01 X I 9.4000 -1.614E-01 X I 9.6000 -1.565E-01 X I 9.8000 -1.509E-01 X I 10.0000 -1.446E-01 X I 10.4000 -1.300E-01 X I 10.8000 -1.132E-01 X I 11.2000 -9.466E-02 X I 11.6000 -7.464E-02 X I 12.0000 -5.354E-02 X I 12.4000 -3.171E-02 X I 12.8000 -9.467E-03 X I 13.2000 1.290E-02 I X 13.6000 3.511E-02 I X 14.0000 5.694E-02 I X 14.4000 7.818E-02 I X 14.8000 9.865E-02 I X 15.2000 1.182E-01 I X 15.6000 1.367E-01 I X 16.0000 1.541E-01 I X 16.4000 1.702E-01 I X 16.8000 1.851E-01 I X 17.2000 1.986E-01 I X 17.6000 2.108E-01 I X 18.0000 2.217E-01 I X 18.4000 2.312E-01 I X 18.8000 2.395E-01 I X 19.2000 2.465E-01 I X 19.6000 2.522E-01 I X 20.0000 2.568E-01 I X 20.5000 2.609E-01 I X 21.0000 2.634E-01 I X 21.5000 2.643E-01 I X 22.0000 2.639E-01 I X 22.5000 2.621E-01 I X 23.0000 2.593E-01 I X 23.5000 2.554E-01 I X 24.0000 2.507E-01 I X 24.5000 2.451E-01 I X 25.0000 2.389E-01 I X 25.5000 2.322E-01 I X 26.0000 2.250E-01 I X 26.5000 2.174E-01 I X 27.0000 2.095E-01 I X 27.5000 2.015E-01 I X 28.0000 1.933E-01 I X 28.5000 1.851E-01 I X 29.0000 1.768E-01 I X 29.5000 1.686E-01 I X 30.0000 1.605E-01 I X 31.0000 1.446E-01 I X 32.0000 1.295E-01 I X 33.0000 1.153E-01 I X 34.0000 1.021E-01 I X 35.0000 8.995E-02 I X 36.0000 7.888E-02 I X 37.0000 6.888E-02 I X 38.0000 5.990E-02 I X 39.0000 5.190E-02 I X 40.0000 4.480E-02 I X 41.0000 3.855E-02 I X 42.0000 3.307E-02 I X 43.0000 2.829E-02 I X 44.0000 2.413E-02 I X 45.0000 2.052E-02 I X 46.0000 1.741E-02 I X 47.0000 1.474E-02 I X 48.0000 1.245E-02 I X 49.0000 1.050E-02 I X 50.0000 8.828E-03 I X 51.0000 7.411E-03 I X 52.0000 6.210E-03 IX 53.0000 5.194E-03 IX 54.0000 4.337E-03 IX 55.0000 3.616E-03 IX 56.0000 3.009E-03 IX 9p d10 d10 9p 5 58038.8 53067.8 5000. 9p d10 d10 9p 5 58038.8 53067.8 5000. 0.000 0.000 0.000 0.000 5 47.00 CONFIG=d10 9p d10 L=1 ELIM= 64089.600 N= 9 E= 58038.800 E= -0.05513895 Z=1.0000 L=1.0000 STEP=-.1000 NUM= 8600 NSAVE= 8600 IRREG=0 IFITER=99 NNODES= 7 NUMR 8425 NUMS 8425 NUML 8596 RS 17.642 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 DEL 0.95491183 RSCALE 2.13864133 DEL 0.98277507 RSCALE 2.11788157 DEL 0.95492356 RSCALE 2.13864133 DEL 0.91686747 RSCALE 2.15960458 DEL 0.86369746 RSCALE 2.18077331 DEL 0.78619346 RSCALE 2.20214954 DEL 0.66511362 RSCALE 2.22373531 DEL 0.45244254 RSCALE 2.24553266 DEL -0.01443735 RSCALE 2.26754367 DEL 0.00808524 RSCALE 2.26686303 DEL 0.00009320 RSCALE 2.26710737 DEL -0.00000061 RSCALE 2.26711022 DEL 0.00000000 RSCALE 2.26711020 CNORM= 9.92013E-01 0.1000 9.685E-03 I X 0.2000 -2.339E-02 X I 0.3000 -7.648E-03 X I 0.4000 2.229E-02 I X 0.5000 3.172E-02 I X 0.6000 1.845E-02 I X 0.7000 -5.211E-03 XI 0.8000 -2.714E-02 X I 0.9000 -4.040E-02 X I 1.0000 -4.308E-02 X I 1.1000 -3.646E-02 X I 1.2000 -2.327E-02 X I 1.3000 -6.534E-03 XI 1.4000 1.108E-02 I X 1.5000 2.756E-02 I X 1.6000 4.153E-02 I X 1.7000 5.222E-02 I X 1.8000 5.931E-02 I X 1.9000 6.283E-02 I X 2.0000 6.301E-02 I X 2.2000 5.499E-02 I X 2.4000 3.884E-02 I X 2.6000 1.806E-02 I X 2.8000 -4.511E-03 XI 3.0000 -2.679E-02 X I 3.2000 -4.738E-02 X I 3.4000 -6.545E-02 X I 3.6000 -8.057E-02 X I 3.8000 -9.259E-02 X I 4.0000 -1.015E-01 X I 4.2000 -1.076E-01 X I 4.4000 -1.109E-01 X I 4.6000 -1.118E-01 X I 4.8000 -1.106E-01 X I 5.0000 -1.074E-01 X I 5.2000 -1.025E-01 X I 5.4000 -9.613E-02 X I 5.6000 -8.854E-02 X I 5.8000 -7.990E-02 X I 6.0000 -7.038E-02 X I 6.2000 -6.014E-02 X I 6.4000 -4.932E-02 X I 6.6000 -3.806E-02 X I 6.8000 -2.647E-02 X I 7.0000 -1.466E-02 X I 7.2000 -2.738E-03 XI 7.4000 9.206E-03 I X 7.6000 2.108E-02 I X 7.8000 3.282E-02 I X 8.0000 4.433E-02 I X 8.2000 5.555E-02 I X 8.4000 6.642E-02 I X 8.6000 7.688E-02 I X 8.8000 8.687E-02 I X 9.0000 9.636E-02 I X 9.2000 1.053E-01 I X 9.4000 1.137E-01 I X 9.6000 1.214E-01 I X 9.8000 1.285E-01 I X 10.0000 1.350E-01 I X 10.4000 1.458E-01 I X 10.8000 1.539E-01 I X 11.2000 1.592E-01 I X 11.6000 1.618E-01 I X 12.0000 1.618E-01 I X 12.4000 1.592E-01 I X 12.8000 1.542E-01 I X 13.2000 1.471E-01 I X 13.6000 1.379E-01 I X 14.0000 1.270E-01 I X 14.4000 1.145E-01 I X 14.8000 1.006E-01 I X 15.2000 8.561E-02 I X 15.6000 6.967E-02 I X 16.0000 5.301E-02 I X 16.4000 3.583E-02 I X 16.8000 1.830E-02 I X 17.2000 6.021E-04 X 17.6000 -1.710E-02 X I 18.0000 -3.466E-02 X I 18.4000 -5.195E-02 X I 18.8000 -6.884E-02 X I 19.2000 -8.523E-02 X I 19.6000 -1.010E-01 X I 20.0000 -1.162E-01 X I 20.5000 -1.340E-01 X I 21.0000 -1.506E-01 X I 21.5000 -1.659E-01 X I 22.0000 -1.797E-01 X I 22.5000 -1.922E-01 X I 23.0000 -2.032E-01 X I 23.5000 -2.128E-01 X I 24.0000 -2.210E-01 X I 24.5000 -2.278E-01 X I 25.0000 -2.334E-01 X I 25.5000 -2.376E-01 X I 26.0000 -2.407E-01 X I 26.5000 -2.426E-01 X I 27.0000 -2.434E-01 X I 27.5000 -2.433E-01 X I 28.0000 -2.423E-01 X I 28.5000 -2.404E-01 X I 29.0000 -2.378E-01 X I 29.5000 -2.345E-01 X I 30.0000 -2.306E-01 X I 31.0000 -2.212E-01 X I 32.0000 -2.102E-01 X I 33.0000 -1.981E-01 X I 34.0000 -1.852E-01 X I 35.0000 -1.720E-01 X I 36.0000 -1.587E-01 X I 37.0000 -1.456E-01 X I 38.0000 -1.329E-01 X I 39.0000 -1.206E-01 X I 40.0000 -1.090E-01 X I 41.0000 -9.812E-02 X I 42.0000 -8.794E-02 X I 43.0000 -7.853E-02 X I 44.0000 -6.987E-02 X I 45.0000 -6.196E-02 X I 46.0000 -5.478E-02 X I 47.0000 -4.828E-02 X I 48.0000 -4.244E-02 X I 49.0000 -3.720E-02 X I 50.0000 -3.253E-02 X I 51.0000 -2.838E-02 X I 52.0000 -2.470E-02 X I 53.0000 -2.145E-02 X I 54.0000 -1.859E-02 X I 55.0000 -1.608E-02 X I 56.0000 -1.388E-02 X I 57.0000 -1.196E-02 X I 58.0000 -1.029E-02 X I 59.0000 -8.837E-03 X I 60.0000 -7.577E-03 X I 62.0000 -5.545E-03 XI 64.0000 -4.035E-03 XI 66.0000 -2.920E-03 XI 4d d8 5s5p d9 5s5p 6 65491.0 57238.6 10000. 4d d8 5s5p d9 5s5p 6 65491.0 57238.6 10000. 0.000 0.000 0.000 0.000 6 47.00 CONFIG=d9 5s5p d8 5s5p L=2 ELIM= 212714.900 N= 4 E= 65491.000 E= -1.34160296 Z=1.0000 L=2.0000 STEP=-.1000 NUM= 1600 NSAVE= 1600 IRREG=0 IFITER=99 NNODES= 1 NUMR 1425 NUMS 1425 NUML 1586 RS 17.642 RL 1.500 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 RMAX 1.33273057 RMIN -1.00000000 RSCALE 1.29391318 RMAX 1.29391318 RMIN -1.00000000 RSCALE 1.25622639 RMAX 1.25622639 RMIN -1.00000000 RSCALE 1.21963727 DEL 3217.61627894 RSCALE 1.21963727 DEL 18.34650304 RSCALE 1.20779827 DEL 18.22489959 RSCALE 1.20773037 DEL 8.43124314 RSCALE 1.19755532 DEL 5.17135380 RSCALE 1.18879574 DEL 2.93799352 RSCALE 1.17725611 DEL 1.67551070 RSCALE 1.16582851 DEL 0.86627755 RSCALE 1.15451183 DEL 0.30488867 RSCALE 1.14330500 DEL 0.06526645 RSCALE 1.13721860 DEL 0.00616050 RSCALE 1.13556084 DEL 0.00013745 RSCALE 1.13538805 DEL 0.00000030 RSCALE 1.13538411 DEL 0.00000000 RSCALE 1.13538410 CNORM= 1.41050E+00 0.1000 2.484E-01 I X 0.2000 4.971E-01 I X 0.3000 3.632E-01 I X 0.4000 2.573E-02 IX 0.5000 -3.298E-01 X I 0.6000 -6.162E-01 X I 0.7000 -8.120E-01 X I 0.8000 -9.253E-01 X I 0.9000 -9.740E-01 X I 1.0000 -9.763E-01 X I 1.1000 -9.473E-01 X I 1.2000 -8.988E-01 X I 1.3000 -8.392E-01 X I 1.4000 -7.746E-01 X I 1.5000 -7.089E-01 X I 1.6000 -6.446E-01 X I 1.7000 -5.833E-01 X I 1.8000 -5.260E-01 X I 1.9000 -4.730E-01 X I 2.0000 -4.246E-01 X I 2.2000 -3.406E-01 X I 2.4000 -2.725E-01 X I 2.6000 -2.177E-01 X I 2.8000 -1.739E-01 X I 3.0000 -1.389E-01 X I 3.2000 -1.111E-01 X I 3.4000 -8.898E-02 X I 3.6000 -7.132E-02 X I 3.8000 -5.722E-02 X I 4.0000 -4.595E-02 X I 4.2000 -3.693E-02 X I 4.4000 -2.969E-02 X I 4.6000 -2.388E-02 XI 4.8000 -1.922E-02 XI 5.0000 -1.547E-02 XI 5.2000 -1.245E-02 XI 5.4000 -1.002E-02 XI 5s d9 5p d9 5s5p 6 65491.0 57238.6 10000. 5s d9 5p d9 5s5p 6 65491.0 57238.6 10000. 0.000 0.000 0.000 0.000 6 47.00 CONFIG=d9 5s5p d9 5p L=0 ELIM= 148006.000 N= 5 E= 65491.000 E= -0.75193205 Z=1.0000 L=0.0000 STEP=-.1000 NUM= 2200 NSAVE= 2200 IRREG=0 IFITER=99 NNODES= 4 NUMR 2025 NUMS 2025 NUML 2199 RS 17.642 RL 0.250 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 DEL -0.92109475 RSCALE 1.33273057 DEL -0.99421500 RSCALE 1.34579418 DEL -0.92109475 RSCALE 1.33273057 DEL -0.84695804 RSCALE 1.31979378 DEL -0.77226124 RSCALE 1.30698256 DEL -0.69329367 RSCALE 1.29429570 DEL -0.61254046 RSCALE 1.28173199 DEL -0.52828393 RSCALE 1.26929024 DEL -0.43977269 RSCALE 1.25696926 DEL -0.34862642 RSCALE 1.24476787 DEL -0.24920774 RSCALE 1.23268493 DEL -0.13956036 RSCALE 1.22071928 DEL -0.02408167 RSCALE 1.20886977 DEL 0.00137680 RSCALE 1.20639870 DEL -0.00001308 RSCALE 1.20653234 DEL -0.00000001 RSCALE 1.20653108 CNORM= 7.53885E-01 0.1000 -1.509E-01 X I 0.2000 1.272E-01 I X 0.3000 2.154E-01 I X 0.4000 4.249E-02 I X 0.5000 -1.740E-01 X I 0.6000 -3.116E-01 X I 0.7000 -3.450E-01 X I 0.8000 -2.935E-01 X I 0.9000 -1.879E-01 X I 1.0000 -5.547E-02 X I 1.1000 8.344E-02 I X 1.2000 2.159E-01 I X 1.3000 3.344E-01 I X 1.4000 4.355E-01 I X 1.5000 5.183E-01 I X 1.6000 5.834E-01 I X 1.7000 6.324E-01 I X 1.8000 6.670E-01 I X 1.9000 6.893E-01 I X 2.0000 7.011E-01 I X 2.2000 7.006E-01 I X 2.4000 6.774E-01 I X 2.6000 6.403E-01 I X 2.8000 5.956E-01 I X 3.0000 5.475E-01 I X 3.2000 4.990E-01 I X 3.4000 4.517E-01 I X 3.6000 4.067E-01 I X 3.8000 3.646E-01 I X 4.0000 3.257E-01 I X 4.2000 2.901E-01 I X 4.4000 2.576E-01 I X 4.6000 2.282E-01 I X 4.8000 2.017E-01 I X 5.0000 1.780E-01 I X 5.2000 1.567E-01 I X 5.4000 1.377E-01 I X 5.6000 1.208E-01 I X 5.8000 1.058E-01 I X 6.0000 9.258E-02 I X 6.2000 8.089E-02 I X 6.4000 7.058E-02 I X 6.6000 6.152E-02 I X 6.8000 5.356E-02 I X 7.0000 4.658E-02 I X 7.2000 4.048E-02 I X 7.4000 3.514E-02 I X 7.6000 3.048E-02 I X 7.8000 2.641E-02 I X 8.0000 2.287E-02 I X 8.2000 1.979E-02 I X 8.4000 1.712E-02 IX 8.6000 1.479E-02 IX 8.8000 1.277E-02 IX 9.0000 1.102E-02 IX 9.2000 9.509E-03 IX 9.4000 8.198E-03 IX 9.6000 7.064E-03 IX 5p d9 5s d9 5s5p 6 65491.0 57238.6 10000. 5p d9 5s d9 5s5p 6 65491.0 57238.6 10000. 0.000 0.000 0.000 0.000 6 47.00 CONFIG=d9 5s5p d9 5s L=1 ELIM= 105289.800 N= 5 E= 65491.000 E= -0.36267337 Z=1.0000 L=1.0000 STEP=-.1000 NUM= 3200 NSAVE= 3200 IRREG=0 IFITER=99 NNODES= 3 NUMR 3025 NUMS 3025 NUML 3196 RS 17.642 RL 0.500 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 DEL -0.89446945 RSCALE 1.33273057 DEL -0.95566567 RSCALE 1.34579418 DEL -0.89446945 RSCALE 1.33273057 DEL -0.82951558 RSCALE 1.31979378 DEL -0.76021594 RSCALE 1.30698256 DEL -0.68579579 RSCALE 1.29429570 DEL -0.60555823 RSCALE 1.28173199 DEL -0.51857746 RSCALE 1.26929024 DEL -0.42381249 RSCALE 1.25696926 DEL -0.32017516 RSCALE 1.24476787 DEL -0.20588657 RSCALE 1.23268493 DEL -0.07944661 RSCALE 1.22071928 DEL 0.00781697 RSCALE 1.21320084 DEL -0.00027068 RSCALE 1.21387433 DEL -0.00000089 RSCALE 1.21385179 DEL 0.00000000 RSCALE 1.21385172 CNORM= 1.01830E+00 0.1000 7.704E-02 I X 0.2000 -1.180E-01 X I 0.3000 -1.380E-01 X I 0.4000 -1.407E-02 XI 0.5000 1.256E-01 I X 0.6000 2.160E-01 I X 0.7000 2.442E-01 I X 0.8000 2.208E-01 I X 0.9000 1.625E-01 I X 1.0000 8.448E-02 I X 1.1000 -1.593E-03 X 1.2000 -8.780E-02 X I 1.3000 -1.692E-01 X I 1.4000 -2.431E-01 X I 1.5000 -3.082E-01 X I 1.6000 -3.642E-01 X I 1.7000 -4.114E-01 X I 1.8000 -4.504E-01 X I 1.9000 -4.820E-01 X I 2.0000 -5.071E-01 X I 2.2000 -5.406E-01 X I 2.4000 -5.569E-01 X I 2.6000 -5.608E-01 X I 2.8000 -5.557E-01 X I 3.0000 -5.445E-01 X I 3.2000 -5.291E-01 X I 3.4000 -5.109E-01 X I 3.6000 -4.909E-01 X I 3.8000 -4.697E-01 X I 4.0000 -4.479E-01 X I 4.2000 -4.259E-01 X I 4.4000 -4.039E-01 X I 4.6000 -3.820E-01 X I 4.8000 -3.605E-01 X I 5.0000 -3.394E-01 X I 5.2000 -3.189E-01 X I 5.4000 -2.991E-01 X I 5.6000 -2.801E-01 X I 5.8000 -2.617E-01 X I 6.0000 -2.442E-01 X I 6.2000 -2.276E-01 X I 6.4000 -2.117E-01 X I 6.6000 -1.967E-01 X I 6.8000 -1.826E-01 X I 7.0000 -1.692E-01 X I 7.2000 -1.567E-01 X I 7.4000 -1.449E-01 X I 7.6000 -1.339E-01 X I 7.8000 -1.235E-01 X I 8.0000 -1.139E-01 X I 8.2000 -1.049E-01 X I 8.4000 -9.660E-02 X I 8.6000 -8.884E-02 X I 8.8000 -8.165E-02 X I 9.0000 -7.497E-02 X I 9.2000 -6.880E-02 X I 9.4000 -6.309E-02 X I 9.6000 -5.781E-02 X I 9.8000 -5.294E-02 X I 10.0000 -4.845E-02 X I 10.4000 -4.052E-02 X I 10.8000 -3.380E-02 X I 11.2000 -2.814E-02 X I 11.6000 -2.339E-02 X I 12.0000 -1.940E-02 X I 12.4000 -1.606E-02 X I 12.8000 -1.328E-02 XI 13.2000 -1.096E-02 XI 13.6000 -9.039E-03 XI 14.0000 -7.442E-03 XI 14.4000 -6.119E-03 XI 6p d9 5s d9 5s6p 7 89595.6 81335.5 8500. 6p d9 5s d9 5s6p 7 89595.6 81335.5 8500. 0.000 0.000 0.000 0.000 7 47.00 CONFIG=d9 5s6p d9 5s L=1 ELIM= 105289.800 N= 6 E= 89595.600 E= -0.14301608 Z=1.0000 L=1.0000 STEP=-.1000 NUM= 5200 NSAVE= 5200 IRREG=0 IFITER=99 NNODES= 4 NUMR 5025 NUMS 5025 NUML 5196 RS 17.642 RL 0.500 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 DEL -0.99602668 RSCALE 1.45631068 RMAX 1.47058563 RMIN -1.00000000 RSCALE 1.46344816 RMAX 1.46344816 RMIN -1.00000000 RSCALE 1.45987942 RMAX 1.45987942 RMIN -1.00000000 RSCALE 1.45809505 RMAX 1.45809505 RMIN -1.00000000 RSCALE 1.45720286 DEL -0.99840857 RSCALE 1.45720286 DEL -0.95940282 RSCALE 1.44305782 DEL -0.91803474 RSCALE 1.42905008 DEL -0.87389307 RSCALE 1.41517831 DEL -0.82677976 RSCALE 1.40144120 DEL -0.77629501 RSCALE 1.38783743 DEL -0.72203379 RSCALE 1.37436571 DEL -0.66365006 RSCALE 1.36102476 DEL -0.60030084 RSCALE 1.34781332 DEL -0.53164424 RSCALE 1.33473011 DEL -0.45694207 RSCALE 1.32177391 DEL -0.37534934 RSCALE 1.30894347 DEL -0.28590498 RSCALE 1.29623757 DEL -0.18747342 RSCALE 1.28365502 DEL -0.07870331 RSCALE 1.27119460 DEL 0.00810955 RSCALE 1.26217855 DEL -0.00031551 RSCALE 1.26302078 DEL -0.00000122 RSCALE 1.26298924 DEL 0.00000000 RSCALE 1.26298911 CNORM= 9.77892E-01 0.1000 2.825E-02 I X 0.2000 -4.508E-02 X I 0.3000 -4.947E-02 X I 0.4000 -2.466E-04 X 0.5000 5.187E-02 I X 0.6000 8.244E-02 I X 0.7000 8.787E-02 I X 0.8000 7.348E-02 I X 0.9000 4.657E-02 I X 1.0000 1.350E-02 I X 1.1000 -2.106E-02 X I 1.2000 -5.406E-02 X I 1.3000 -8.371E-02 X I 1.4000 -1.091E-01 X I 1.5000 -1.300E-01 X I 1.6000 -1.464E-01 X I 1.7000 -1.586E-01 X I 1.8000 -1.670E-01 X I 1.9000 -1.720E-01 X I 2.0000 -1.740E-01 X I 2.2000 -1.705E-01 X I 2.4000 -1.595E-01 X I 2.6000 -1.430E-01 X I 2.8000 -1.227E-01 X I 3.0000 -9.967E-02 X I 3.2000 -7.488E-02 X I 3.4000 -4.897E-02 X I 3.6000 -2.241E-02 X I 3.8000 4.416E-03 IX 4.0000 3.120E-02 I X 4.2000 5.768E-02 I X 4.4000 8.366E-02 I X 4.6000 1.089E-01 I X 4.8000 1.334E-01 I X 5.0000 1.568E-01 I X 5.2000 1.791E-01 I X 5.4000 2.003E-01 I X 5.6000 2.201E-01 I X 5.8000 2.386E-01 I X 6.0000 2.558E-01 I X 6.2000 2.716E-01 I X 6.4000 2.860E-01 I X 6.6000 2.991E-01 I X 6.8000 3.107E-01 I X 7.0000 3.210E-01 I X 7.2000 3.301E-01 I X 7.4000 3.378E-01 I X 7.6000 3.443E-01 I X 7.8000 3.497E-01 I X 8.0000 3.539E-01 I X 8.2000 3.571E-01 I X 8.4000 3.592E-01 I X 8.6000 3.604E-01 I X 8.8000 3.606E-01 I X 9.0000 3.601E-01 I X 9.2000 3.587E-01 I X 9.4000 3.566E-01 I X 9.6000 3.539E-01 I X 9.8000 3.505E-01 I X 10.0000 3.466E-01 I X 10.4000 3.372E-01 I X 10.8000 3.262E-01 I X 11.2000 3.139E-01 I X 11.6000 3.005E-01 I X 12.0000 2.865E-01 I X 12.4000 2.720E-01 I X 12.8000 2.573E-01 I X 13.2000 2.426E-01 I X 13.6000 2.279E-01 I X 14.0000 2.135E-01 I X 14.4000 1.995E-01 I X 14.8000 1.859E-01 I X 15.2000 1.728E-01 I X 15.6000 1.603E-01 I X 16.0000 1.483E-01 I X 16.4000 1.370E-01 I X 16.8000 1.262E-01 I X 17.2000 1.161E-01 I X 17.6000 1.067E-01 I X 18.0000 9.782E-02 I X 18.4000 8.955E-02 I X 18.8000 8.187E-02 I X 19.2000 7.473E-02 I X 19.6000 6.813E-02 I X 20.0000 6.203E-02 I X 20.5000 5.507E-02 I X 21.0000 4.880E-02 I X 21.5000 4.317E-02 I X 22.0000 3.813E-02 I X 22.5000 3.362E-02 I X 23.0000 2.960E-02 I X 23.5000 2.603E-02 I X 24.0000 2.286E-02 I X 24.5000 2.004E-02 I X 25.0000 1.755E-02 I X 25.5000 1.535E-02 I X 26.0000 1.342E-02 I X 26.5000 1.171E-02 I X 27.0000 1.021E-02 I X 27.5000 8.893E-03 IX 28.0000 7.739E-03 IX 28.5000 6.728E-03 IX 29.0000 5.844E-03 IX 29.5000 5.071E-03 IX 30.0000 4.397E-03 IX 7p d9 5s d9 5s7p 8 95749.7 87509.7 8500. 7p d9 5s d9 5s7p 8 95749.7 87509.7 8500. 0.000 0.000 0.000 0.000 8 47.00 CONFIG=d9 5s7p d9 5s L=1 ELIM= 105289.800 N= 7 E= 95749.700 E= -0.08693579 Z=1.0000 L=1.0000 STEP=-.1000 NUM= 6700 NSAVE= 6700 IRREG=0 IFITER=99 NNODES= 5 NUMR 6525 NUMS 6525 NUML 6696 RS 17.642 RL 0.500 DEL -0.31862976 RSCALE 1.50000000 DEL -0.40018155 RSCALE 1.51470320 DEL -0.31855753 RSCALE 1.50000000 DEL -0.22682558 RSCALE 1.48543952 DEL -0.12313301 RSCALE 1.47102038 DEL -0.00513904 RSCALE 1.45674121 DEL 0.00039686 RSCALE 1.45611930 DEL -0.00000110 RSCALE 1.45616389 DEL -0.00038028 RSCALE 1.45616377 DEL -0.00000104 RSCALE 1.45616389 DEL -0.00000104 RSCALE 1.45616389 DEL -0.00000327 RSCALE 1.45616414 DEL 0.00000000 RSCALE 1.45616377 CNORM= 9.92741E-01 0.1000 1.536E-02 I X 0.2000 -2.786E-02 X I 0.3000 -2.423E-02 X I 0.4000 9.151E-03 I X 0.5000 3.762E-02 I X 0.6000 4.772E-02 I X 0.7000 4.057E-02 I X 0.8000 2.237E-02 I X 0.9000 -5.871E-04 X 1.0000 -2.360E-02 X I 1.1000 -4.377E-02 X I 1.2000 -5.964E-02 X I 1.3000 -7.071E-02 X I 1.4000 -7.709E-02 X I 1.5000 -7.924E-02 X I 1.6000 -7.774E-02 X I 1.7000 -7.322E-02 X I 1.8000 -6.630E-02 X I 1.9000 -5.750E-02 X I 2.0000 -4.731E-02 X I 2.2000 -2.429E-02 X I 2.4000 3.364E-04 X 2.6000 2.500E-02 I X 2.8000 4.872E-02 I X 3.0000 7.093E-02 I X 3.2000 9.132E-02 I X 3.4000 1.097E-01 I X 3.6000 1.261E-01 I X 3.8000 1.404E-01 I X 4.0000 1.527E-01 I X 4.2000 1.630E-01 I X 4.4000 1.714E-01 I X 4.6000 1.779E-01 I X 4.8000 1.826E-01 I X 5.0000 1.855E-01 I X 5.2000 1.866E-01 I X 5.4000 1.861E-01 I X 5.6000 1.840E-01 I X 5.8000 1.803E-01 I X 6.0000 1.753E-01 I X 6.2000 1.689E-01 I X 6.4000 1.612E-01 I X 6.6000 1.524E-01 I X 6.8000 1.426E-01 I X 7.0000 1.319E-01 I X 7.2000 1.203E-01 I X 7.4000 1.079E-01 I X 7.6000 9.499E-02 I X 7.8000 8.149E-02 I X 8.0000 6.755E-02 I X 8.2000 5.325E-02 I X 8.4000 3.868E-02 I X 8.6000 2.392E-02 I X 8.8000 9.047E-03 I X 9.0000 -5.869E-03 XI 9.2000 -2.076E-02 X I 9.4000 -3.556E-02 X I 9.6000 -5.022E-02 X I 9.8000 -6.467E-02 X I 10.0000 -7.888E-02 X I 10.4000 -1.064E-01 X I 10.8000 -1.324E-01 X I 11.2000 -1.567E-01 X I 11.6000 -1.791E-01 X I 12.0000 -1.995E-01 X I 12.4000 -2.178E-01 X I 12.8000 -2.340E-01 X I 13.2000 -2.480E-01 X I 13.6000 -2.599E-01 X I 14.0000 -2.698E-01 X I 14.4000 -2.777E-01 X I 14.8000 -2.837E-01 X I 15.2000 -2.880E-01 X I 15.6000 -2.905E-01 X I 16.0000 -2.916E-01 X I 16.4000 -2.912E-01 X I 16.8000 -2.896E-01 X I 17.2000 -2.868E-01 X I 17.6000 -2.830E-01 X I 18.0000 -2.782E-01 X I 18.4000 -2.727E-01 X I 18.8000 -2.664E-01 X I 19.2000 -2.596E-01 X I 19.6000 -2.522E-01 X I 20.0000 -2.445E-01 X I 20.5000 -2.344E-01 X I 21.0000 -2.240E-01 X I 21.5000 -2.133E-01 X I 22.0000 -2.026E-01 X I 22.5000 -1.918E-01 X I 23.0000 -1.812E-01 X I 23.5000 -1.707E-01 X I 24.0000 -1.605E-01 X I 24.5000 -1.505E-01 X I 25.0000 -1.409E-01 X I 25.5000 -1.316E-01 X I 26.0000 -1.227E-01 X I 26.5000 -1.142E-01 X I 27.0000 -1.061E-01 X I 27.5000 -9.841E-02 X I 28.0000 -9.114E-02 X I 28.5000 -8.428E-02 X I 29.0000 -7.783E-02 X I 29.5000 -7.177E-02 X I 30.0000 -6.610E-02 X I 31.0000 -5.586E-02 X I 32.0000 -4.699E-02 X I 33.0000 -3.935E-02 X I 34.0000 -3.282E-02 X I 35.0000 -2.728E-02 X I 36.0000 -2.259E-02 X I 37.0000 -1.865E-02 X I 38.0000 -1.534E-02 X I 39.0000 -1.259E-02 X I 40.0000 -1.030E-02 X I 41.0000 -8.407E-03 X I 42.0000 -6.844E-03 XI 43.0000 -5.559E-03 XI 44.0000 -4.506E-03 XI 45.0000 -3.644E-03 XI 46.0000 -2.942E-03 XI 8p d9 5s d9 5s8p 9 98476.8 90202.2 8500. 8p d9 5s d9 5s8p 9 98476.8 90202.2 8500. 0.000 0.000 0.000 0.000 9 47.00 CONFIG=d9 5s8p d9 5s L=1 ELIM= 105289.800 N= 8 E= 98476.800 E= -0.06208463 Z=1.0000 L=1.0000 STEP=-.1000 NUM= 8100 NSAVE= 8100 IRREG=0 IFITER=99 NNODES= 6 NUMR 7925 NUMS 7925 NUML 8096 RS 17.642 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 DEL 1.60494285 RSCALE 1.63909050 DEL 3.11322896 RSCALE 1.62317987 DEL 1.60494760 RSCALE 1.63909050 DEL 0.85378557 RSCALE 1.65515708 DEL 0.40312015 RSCALE 1.67138116 DEL 0.13055573 RSCALE 1.68589359 DEL 0.02867251 RSCALE 1.69284490 DEL 0.00226683 RSCALE 1.69480117 DEL 0.00004641 RSCALE 1.69496911 DEL 0.00000008 RSCALE 1.69497262 DEL -0.00106890 RSCALE 1.69497263 DEL -0.00011895 RSCALE 1.69497262 DEL 0.00000009 RSCALE 1.69497262 DEL 0.00000009 RSCALE 1.69497262 DEL 0.00000015 RSCALE 1.69497262 DEL 0.00000000 RSCALE 1.69497263 CNORM= 9.93413E-01 0.1000 1.271E-02 I X 0.2000 -2.584E-02 X I 0.3000 -1.705E-02 X I 0.4000 1.557E-02 I X 0.5000 3.710E-02 I X 0.6000 3.765E-02 I X 0.7000 2.218E-02 I X 0.8000 -6.063E-04 X 0.9000 -2.349E-02 X I 1.0000 -4.202E-02 X I 1.1000 -5.417E-02 X I 1.2000 -5.962E-02 X I 1.3000 -5.897E-02 X I 1.4000 -5.331E-02 X I 1.5000 -4.385E-02 X I 1.6000 -3.174E-02 X I 1.7000 -1.799E-02 X I 1.8000 -3.445E-03 XI 1.9000 1.124E-02 I X 2.0000 2.558E-02 I X 2.2000 5.185E-02 I X 2.4000 7.368E-02 I X 2.6000 9.052E-02 I X 2.8000 1.024E-01 I X 3.0000 1.099E-01 I X 3.2000 1.133E-01 I X 3.4000 1.133E-01 I X 3.6000 1.104E-01 I X 3.8000 1.050E-01 I X 4.0000 9.764E-02 I X 4.2000 8.862E-02 I X 4.4000 7.826E-02 I X 4.6000 6.682E-02 I X 4.8000 5.454E-02 I X 5.0000 4.163E-02 I X 5.2000 2.827E-02 I X 5.4000 1.461E-02 I X 5.6000 8.151E-04 X 5.8000 -1.299E-02 X I 6.0000 -2.668E-02 X I 6.2000 -4.014E-02 X I 6.4000 -5.327E-02 X I 6.6000 -6.597E-02 X I 6.8000 -7.816E-02 X I 7.0000 -8.975E-02 X I 7.2000 -1.007E-01 X I 7.4000 -1.109E-01 X I 7.6000 -1.204E-01 X I 7.8000 -1.291E-01 X I 8.0000 -1.369E-01 X I 8.2000 -1.439E-01 X I 8.4000 -1.500E-01 X I 8.6000 -1.552E-01 X I 8.8000 -1.595E-01 X I 9.0000 -1.629E-01 X I 9.2000 -1.655E-01 X I 9.4000 -1.672E-01 X I 9.6000 -1.680E-01 X I 9.8000 -1.680E-01 X I 10.0000 -1.672E-01 X I 10.4000 -1.632E-01 X I 10.8000 -1.563E-01 X I 11.2000 -1.468E-01 X I 11.6000 -1.348E-01 X I 12.0000 -1.209E-01 X I 12.4000 -1.052E-01 X I 12.8000 -8.799E-02 X I 13.2000 -6.967E-02 X I 13.6000 -5.048E-02 X I 14.0000 -3.068E-02 X I 14.4000 -1.054E-02 X I 14.8000 9.719E-03 I X 15.2000 2.988E-02 I X 15.6000 4.975E-02 I X 16.0000 6.916E-02 I X 16.4000 8.797E-02 I X 16.8000 1.060E-01 I X 17.2000 1.233E-01 I X 17.6000 1.395E-01 I X 18.0000 1.548E-01 I X 18.4000 1.691E-01 I X 18.8000 1.822E-01 I X 19.2000 1.942E-01 I X 19.6000 2.050E-01 I X 20.0000 2.148E-01 I X 20.5000 2.253E-01 I X 21.0000 2.342E-01 I X 21.5000 2.413E-01 I X 22.0000 2.469E-01 I X 22.5000 2.509E-01 I X 23.0000 2.535E-01 I X 23.5000 2.548E-01 I X 24.0000 2.548E-01 I X 24.5000 2.537E-01 I X 25.0000 2.516E-01 I X 25.5000 2.485E-01 I X 26.0000 2.446E-01 I X 26.5000 2.400E-01 I X 27.0000 2.348E-01 I X 27.5000 2.290E-01 I X 28.0000 2.227E-01 I X 28.5000 2.161E-01 I X 29.0000 2.092E-01 I X 29.5000 2.020E-01 I X 30.0000 1.947E-01 I X 31.0000 1.797E-01 I X 32.0000 1.647E-01 I X 33.0000 1.499E-01 I X 34.0000 1.356E-01 I X 35.0000 1.220E-01 I X 36.0000 1.092E-01 I X 37.0000 9.721E-02 I X 38.0000 8.619E-02 I X 39.0000 7.609E-02 I X 40.0000 6.692E-02 I X 41.0000 5.863E-02 I X 42.0000 5.120E-02 I X 43.0000 4.456E-02 I X 44.0000 3.867E-02 I X 45.0000 3.346E-02 I X 46.0000 2.887E-02 I X 47.0000 2.485E-02 I X 48.0000 2.134E-02 I X 49.0000 1.828E-02 I X 50.0000 1.562E-02 I X 51.0000 1.332E-02 I X 52.0000 1.134E-02 I X 53.0000 9.633E-03 I X 54.0000 8.168E-03 I X 55.0000 6.914E-03 IX 56.0000 5.843E-03 IX 57.0000 4.929E-03 IX 58.0000 4.152E-03 IX 59.0000 3.492E-03 IX 60.0000 2.933E-03 IX 9p d9 5s d9 5s9p A 99911.2 91630.0 8500. 9p d9 5s d9 5s9p A 99911.2 91630.0 8500. 0.000 0.000 0.000 0.000 10 47.00 CONFIG=d9 5s9p d9 5s L=1 ELIM= 105289.800 N= 9 E= 99911.200 E= -0.04901341 Z=1.0000 L=1.0000 STEP=-.1000 NUM= 9200 NSAVE= 9200 IRREG=0 IFITER=99 NNODES= 7 NUMR 9025 NUMS 9025 NUML 9196 RS 17.642 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 2.13864133 RMIN 2.07635081 RSCALE 2.10749607 RMAX 2.10749607 RMIN 2.07635081 RSCALE 2.09192344 DEL -0.84210646 RSCALE 2.09192344 DEL -0.98570548 RSCALE 2.09970975 DEL 3.23510475 RSCALE 2.07932790 DEL -0.91376113 RSCALE 2.09494988 DEL -0.82992250 RSCALE 2.09150924 DEL -0.29624645 RSCALE 2.08393002 DEL 2.14789789 RSCALE 2.07972276 DEL -0.20577430 RSCALE 2.08342008 DEL -0.13886928 RSCALE 2.08309683 DEL 0.03189306 RSCALE 2.08242590 DEL -0.00390684 RSCALE 2.08255121 DEL -0.00009822 RSCALE 2.08253753 DEL 0.00000031 RSCALE 2.08253718 DEL 0.00000000 RSCALE 2.08253718 CNORM= 9.95654E-01 0.1000 8.903E-03 I X 0.2000 -2.055E-02 X I 0.3000 -8.555E-03 X I 0.4000 1.789E-02 I X 0.5000 2.887E-02 I X 0.6000 2.045E-02 I X 0.7000 1.405E-03 X 0.8000 -1.853E-02 X I 0.9000 -3.306E-02 X I 1.0000 -3.969E-02 X I 1.1000 -3.852E-02 X I 1.2000 -3.109E-02 X I 1.3000 -1.942E-02 X I 1.4000 -5.518E-03 XI 1.5000 8.955E-03 I X 1.6000 2.272E-02 I X 1.7000 3.491E-02 I X 1.8000 4.498E-02 I X 1.9000 5.267E-02 I X 2.0000 5.792E-02 I X 2.2000 6.151E-02 I X 2.4000 5.725E-02 I X 2.6000 4.716E-02 I X 2.8000 3.318E-02 I X 3.0000 1.695E-02 I X 3.2000 -2.396E-04 X 3.4000 -1.744E-02 X I 3.6000 -3.399E-02 X I 3.8000 -4.942E-02 X I 4.0000 -6.346E-02 X I 4.2000 -7.594E-02 X I 4.4000 -8.677E-02 X I 4.6000 -9.595E-02 X I 4.8000 -1.035E-01 X I 5.0000 -1.094E-01 X I 5.2000 -1.138E-01 X I 5.4000 -1.168E-01 X I 5.6000 -1.184E-01 X I 5.8000 -1.186E-01 X I 6.0000 -1.177E-01 X I 6.2000 -1.156E-01 X I 6.4000 -1.124E-01 X I 6.6000 -1.082E-01 X I 6.8000 -1.031E-01 X I 7.0000 -9.722E-02 X I 7.2000 -9.054E-02 X I 7.4000 -8.317E-02 X I 7.6000 -7.518E-02 X I 7.8000 -6.665E-02 X I 8.0000 -5.766E-02 X I 8.2000 -4.827E-02 X I 8.4000 -3.857E-02 X I 8.6000 -2.862E-02 X I 8.8000 -1.849E-02 X I 9.0000 -8.244E-03 X I 9.2000 2.050E-03 X 9.4000 1.233E-02 I X 9.6000 2.254E-02 I X 9.8000 3.263E-02 I X 10.0000 4.255E-02 I X 10.4000 6.166E-02 I X 10.8000 7.955E-02 I X 11.2000 9.593E-02 I X 11.6000 1.106E-01 I X 12.0000 1.233E-01 I X 12.4000 1.340E-01 I X 12.8000 1.425E-01 I X 13.2000 1.489E-01 I X 13.6000 1.531E-01 I X 14.0000 1.552E-01 I X 14.4000 1.552E-01 I X 14.8000 1.533E-01 I X 15.2000 1.494E-01 I X 15.6000 1.438E-01 I X 16.0000 1.365E-01 I X 16.4000 1.278E-01 I X 16.8000 1.177E-01 I X 17.2000 1.064E-01 I X 17.6000 9.410E-02 I X 18.0000 8.092E-02 I X 18.4000 6.702E-02 I X 18.8000 5.254E-02 I X 19.2000 3.763E-02 I X 19.6000 2.241E-02 I X 20.0000 7.022E-03 I X 20.5000 -1.227E-02 X I 21.0000 -3.144E-02 X I 21.5000 -5.027E-02 X I 22.0000 -6.861E-02 X I 22.5000 -8.631E-02 X I 23.0000 -1.032E-01 X I 23.5000 -1.193E-01 X I 24.0000 -1.343E-01 X I 24.5000 -1.484E-01 X I 25.0000 -1.613E-01 X I 25.5000 -1.732E-01 X I 26.0000 -1.839E-01 X I 26.5000 -1.934E-01 X I 27.0000 -2.018E-01 X I 27.5000 -2.091E-01 X I 28.0000 -2.153E-01 X I 28.5000 -2.204E-01 X I 29.0000 -2.245E-01 X I 29.5000 -2.276E-01 X I 30.0000 -2.297E-01 X I 31.0000 -2.315E-01 X I 32.0000 -2.301E-01 X I 33.0000 -2.260E-01 X I 34.0000 -2.198E-01 X I 35.0000 -2.118E-01 X I 36.0000 -2.023E-01 X I 37.0000 -1.919E-01 X I 38.0000 -1.808E-01 X I 39.0000 -1.693E-01 X I 40.0000 -1.576E-01 X I 41.0000 -1.460E-01 X I 42.0000 -1.345E-01 X I 43.0000 -1.234E-01 X I 44.0000 -1.128E-01 X I 45.0000 -1.026E-01 X I 46.0000 -9.303E-02 X I 47.0000 -8.406E-02 X I 48.0000 -7.570E-02 X I 49.0000 -6.796E-02 X I 50.0000 -6.084E-02 X I 51.0000 -5.431E-02 X I 52.0000 -4.835E-02 X I 53.0000 -4.294E-02 X I 54.0000 -3.805E-02 X I 55.0000 -3.363E-02 X I 56.0000 -2.967E-02 X I 57.0000 -2.612E-02 X I 58.0000 -2.295E-02 X I 59.0000 -2.012E-02 X I 60.0000 -1.761E-02 X I 62.0000 -1.342E-02 X I 64.0000 -1.017E-02 X I 66.0000 -7.654E-03 X I 68.0000 -5.731E-03 XI 70.0000 -4.269E-03 XI 72.0000 -3.165E-03 XI 74.0000 -2.335E-03 XI 4d d7s2 5p d8s2 5p B 124621.1 113121.1 FIXEDHF 11500. HF 4d d7s2 5p d8s2 5p B 124621.1 113121.1 FIXEDHF 11500. HF 0.000 0.000 0.000 0.000 11 47.00 CONFIG=d8s2 5p d7s2 5p L=2 ELIM= 285442.800 N= 4 E= 113121.100HF E= -1.57031095 Z=1.0000 L=2.0000 STEP=-.1000 NUM= 1500 NSAVE= 1500 IRREG=0 IFITER=99 NNODES= 1 NUMR 1325 NUMS 1325 NUML 1486 RS 17.642 RL 1.500 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 RMAX 1.33273057 RMIN -1.00000000 RSCALE 1.29391318 RMAX 1.29391318 RMIN -1.00000000 RSCALE 1.25622639 RMAX 1.25622639 RMIN -1.00000000 RSCALE 1.21963727 DEL 23.41221476 RSCALE 1.21963727 DEL 8.08467003 RSCALE 1.20779827 DEL 5.51369016 RSCALE 1.20155366 DEL 2.96733340 RSCALE 1.18989020 DEL 1.62633343 RSCALE 1.17833996 DEL 0.80022382 RSCALE 1.16690183 DEL 0.25153405 RSCALE 1.15582211 DEL 0.05318235 RSCALE 1.15074287 DEL 0.00441607 RSCALE 1.14938102 DEL 0.00008444 RSCALE 1.14925769 DEL 0.00000014 RSCALE 1.14925529 DEL 0.00000000 RSCALE 1.14925528 CNORM= 1.23986E+00 0.1000 2.596E-01 I X 0.2000 5.149E-01 I X 0.3000 3.677E-01 I X 0.4000 1.086E-02 IX 0.5000 -3.597E-01 X I 0.6000 -6.534E-01 X I 0.7000 -8.496E-01 X I 0.8000 -9.586E-01 X I 0.9000 -1.000E+00 X I 1.0000 -9.939E-01 X I 1.1000 -9.564E-01 X I 1.2000 -9.000E-01 X I 1.3000 -8.334E-01 X I 1.4000 -7.628E-01 X I 1.5000 -6.922E-01 X I 1.6000 -6.241E-01 X I 1.7000 -5.599E-01 X I 1.8000 -5.005E-01 X I 1.9000 -4.461E-01 X I 2.0000 -3.968E-01 X I 2.2000 -3.126E-01 X I 2.4000 -2.455E-01 X I 2.6000 -1.925E-01 X I 2.8000 -1.508E-01 X I 3.0000 -1.182E-01 X I 3.2000 -9.273E-02 X I 3.4000 -7.280E-02 X I 3.6000 -5.720E-02 X I 3.8000 -4.499E-02 X I 4.0000 -3.541E-02 X I 4.2000 -2.789E-02 X I 4.4000 -2.198E-02 XI 4.6000 -1.733E-02 XI 4.8000 -1.366E-02 XI 5.0000 -1.078E-02 XI 5s d8 5s5p d8s2 5p B 124621.1 113121.1 FIXEDHF 11500. HF 5s d8 5s5p d8s2 5p B 124621.1 113121.1 FIXEDHF 11500. HF 0.000 0.000 0.000 0.000 11 47.00 CONFIG=d8s2 5p d8 5s5p L=0 ELIM= 197253.900 N= 5 E= 113121.100HF E= -0.76667452 Z=1.0000 L=0.0000 STEP=-.1000 NUM= 2200 NSAVE= 2200 IRREG=0 IFITER=99 NNODES= 4 NUMR 2025 NUMS 2025 NUML 2199 RS 17.642 RL 0.250 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 DEL -0.89311906 RSCALE 1.33273057 DEL -0.96626849 RSCALE 1.34579418 DEL -0.89311906 RSCALE 1.33273057 DEL -0.81873602 RSCALE 1.31979378 DEL -0.74362776 RSCALE 1.30698256 DEL -0.66391267 RSCALE 1.29429570 DEL -0.58222252 RSCALE 1.28173199 DEL -0.49676221 RSCALE 1.26929024 DEL -0.40674802 RSCALE 1.25696926 DEL -0.31385082 RSCALE 1.24476787 DEL -0.21220116 RSCALE 1.23268493 DEL -0.09972587 RSCALE 1.22071928 DEL 0.00608010 RSCALE 1.21010997 DEL -0.00024495 RSCALE 1.21071963 DEL -0.00000059 RSCALE 1.21069602 DEL 0.00000000 RSCALE 1.21069596 CNORM= 7.44025E-01 0.1000 -1.526E-01 X I 0.2000 1.290E-01 I X 0.3000 2.174E-01 I X 0.4000 4.161E-02 I X 0.5000 -1.774E-01 X I 0.6000 -3.157E-01 X I 0.7000 -3.481E-01 X I 0.8000 -2.945E-01 X I 0.9000 -1.863E-01 X I 1.0000 -5.155E-02 X I 1.1000 8.937E-02 I X 1.2000 2.233E-01 I X 1.3000 3.427E-01 I X 1.4000 4.443E-01 I X 1.5000 5.271E-01 I X 1.6000 5.920E-01 I X 1.7000 6.403E-01 I X 1.8000 6.741E-01 I X 1.9000 6.955E-01 I X 2.0000 7.064E-01 I X 2.2000 7.039E-01 I X 2.4000 6.786E-01 I X 2.6000 6.398E-01 I X 2.8000 5.935E-01 I X 3.0000 5.443E-01 I X 3.2000 4.948E-01 I X 3.4000 4.468E-01 I X 3.6000 4.013E-01 I X 3.8000 3.589E-01 I X 4.0000 3.198E-01 I X 4.2000 2.842E-01 I X 4.4000 2.518E-01 I X 4.6000 2.226E-01 I X 4.8000 1.963E-01 I X 5.0000 1.728E-01 I X 5.2000 1.518E-01 I X 5.4000 1.331E-01 I X 5.6000 1.165E-01 I X 5.8000 1.019E-01 I X 6.0000 8.892E-02 I X 6.2000 7.752E-02 I X 6.4000 6.750E-02 I X 6.6000 5.871E-02 I X 6.8000 5.101E-02 I X 7.0000 4.427E-02 I X 7.2000 3.839E-02 I X 7.4000 3.326E-02 I X 7.6000 2.879E-02 I X 7.8000 2.490E-02 I X 8.0000 2.152E-02 I X 8.2000 1.859E-02 IX 8.4000 1.604E-02 IX 8.6000 1.383E-02 IX 8.8000 1.192E-02 IX 9.0000 1.027E-02 IX 9.2000 8.841E-03 IX 9.4000 7.607E-03 IX 5p d8s2 d8s2 5p B 124621.1 113121.1 FIXEDHF 11500. HF 5p d8s2 d8s2 5p B 124621.1 113121.1 FIXEDHF 11500. HF 0.000 0.000 0.000 0.000 11 47.00 CONFIG=d8s2 5p d8s2 L=1 ELIM= 159186.700 N= 5 E= 113121.100HF E= -0.41978066 Z=1.0000 L=1.0000 STEP=-.1000 NUM= 2900 NSAVE= 2900 IRREG=0 IFITER=99 NNODES= 3 NUMR 2725 NUMS 2725 NUML 2896 RS 17.642 RL 0.500 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 DEL -0.90479441 RSCALE 1.37271249 DEL -0.96045975 RSCALE 1.38616800 DEL -0.90479441 RSCALE 1.37271249 DEL -0.84572099 RSCALE 1.35938759 DEL -0.78269649 RSCALE 1.34619203 DEL -0.71514068 RSCALE 1.33312457 DEL -0.64228847 RSCALE 1.32018395 DEL -0.56343189 RSCALE 1.30736894 DEL -0.47763385 RSCALE 1.29467833 DEL -0.38382896 RSCALE 1.28211091 DEL -0.28088517 RSCALE 1.26966548 DEL -0.16698018 RSCALE 1.25734086 DEL -0.04052324 RSCALE 1.24513587 DEL 0.00327415 RSCALE 1.24122477 DEL -0.00005963 RSCALE 1.24151715 DEL -0.00000009 RSCALE 1.24151192 DEL 0.00000000 RSCALE 1.24151191 CNORM= 9.98319E-01 0.1000 8.699E-02 I X 0.2000 -1.363E-01 X I 0.3000 -1.541E-01 X I 0.4000 -7.839E-03 XI 0.5000 1.516E-01 I X 0.6000 2.498E-01 I X 0.7000 2.741E-01 I X 0.8000 2.388E-01 I X 0.9000 1.645E-01 I X 1.0000 6.960E-02 I X 1.1000 -3.229E-02 X I 1.2000 -1.321E-01 X I 1.3000 -2.244E-01 X I 1.4000 -3.063E-01 X I 1.5000 -3.768E-01 X I 1.6000 -4.358E-01 X I 1.7000 -4.839E-01 X I 1.8000 -5.221E-01 X I 1.9000 -5.516E-01 X I 2.0000 -5.734E-01 X I 2.2000 -5.981E-01 X I 2.4000 -6.038E-01 X I 2.6000 -5.963E-01 X I 2.8000 -5.800E-01 X I 3.0000 -5.580E-01 X I 3.2000 -5.326E-01 X I 3.4000 -5.053E-01 X I 3.6000 -4.772E-01 X I 3.8000 -4.490E-01 X I 4.0000 -4.212E-01 X I 4.2000 -3.940E-01 X I 4.4000 -3.678E-01 X I 4.6000 -3.425E-01 X I 4.8000 -3.183E-01 X I 5.0000 -2.953E-01 X I 5.2000 -2.734E-01 X I 5.4000 -2.528E-01 X I 5.6000 -2.333E-01 X I 5.8000 -2.150E-01 X I 6.0000 -1.979E-01 X I 6.2000 -1.819E-01 X I 6.4000 -1.670E-01 X I 6.6000 -1.531E-01 X I 6.8000 -1.402E-01 X I 7.0000 -1.283E-01 X I 7.2000 -1.172E-01 X I 7.4000 -1.070E-01 X I 7.6000 -9.762E-02 X I 7.8000 -8.897E-02 X I 8.0000 -8.101E-02 X I 8.2000 -7.371E-02 X I 8.4000 -6.702E-02 X I 8.6000 -6.088E-02 X I 8.8000 -5.527E-02 X I 9.0000 -5.015E-02 X I 9.2000 -4.547E-02 X I 9.4000 -4.120E-02 X I 9.6000 -3.730E-02 X I 9.8000 -3.376E-02 X I 10.0000 -3.054E-02 X I 10.4000 -2.494E-02 X I 10.8000 -2.033E-02 X I 11.2000 -1.654E-02 X I 11.6000 -1.344E-02 XI 12.0000 -1.090E-02 XI 12.4000 -8.823E-03 XI 12.8000 -7.134E-03 XI 4d d9 4f d10 4f C 54469.3 49193.8 5000. 4d d9 4f d10 4f C 54469.3 49193.8 5000. 0.000 0.000 0.000 0.000 12 47.00 CONFIG=d10 4f d9 4f L=2 ELIM= 207809.300 N= 4 E= 54469.300 E= -1.39733697 Z=1.0000 L=2.0000 STEP=-.1000 NUM= 1600 NSAVE= 1600 IRREG=0 IFITER=99 NNODES= 1 NUMR 1425 NUMS 1425 NUML 1586 RS 17.642 RL 1.500 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 RMAX 1.33273057 RMIN -1.00000000 RSCALE 1.29391318 RMAX 1.29391318 RMIN -1.00000000 RSCALE 1.25622639 RMAX 1.25622639 RMIN -1.00000000 RSCALE 1.21963727 DEL 113.37672674 RSCALE 1.21963727 DEL 14.61846239 RSCALE 1.20779827 DEL 12.64879034 RSCALE 1.20604583 DEL 6.10855436 RSCALE 1.19479205 DEL 3.55560885 RSCALE 1.18428106 DEL 2.02439791 RSCALE 1.17278527 DEL 1.08765834 RSCALE 1.16140106 DEL 0.45708783 RSCALE 1.15012735 DEL 0.11326956 RSCALE 1.14195527 DEL 0.01523574 RSCALE 1.13926302 DEL 0.00058533 RSCALE 1.13884460 DEL 0.00000315 RSCALE 1.13882789 DEL 0.00000000 RSCALE 1.13882780 CNORM= 1.36510E+00 0.1000 2.512E-01 I X 0.2000 5.016E-01 I X 0.3000 3.645E-01 I X 0.4000 2.210E-02 IX 0.5000 -3.373E-01 X I 0.6000 -6.256E-01 X I 0.7000 -8.216E-01 X I 0.8000 -9.339E-01 X I 0.9000 -9.809E-01 X I 1.0000 -9.810E-01 X I 1.1000 -9.499E-01 X I 1.2000 -8.994E-01 X I 1.3000 -8.381E-01 X I 1.4000 -7.719E-01 X I 1.5000 -7.049E-01 X I 1.6000 -6.396E-01 X I 1.7000 -5.776E-01 X I 1.8000 -5.197E-01 X I 1.9000 -4.663E-01 X I 2.0000 -4.176E-01 X I 2.2000 -3.335E-01 X I 2.4000 -2.655E-01 X I 2.6000 -2.111E-01 X I 2.8000 -1.678E-01 X I 3.0000 -1.335E-01 X I 3.2000 -1.062E-01 X I 3.4000 -8.463E-02 X I 3.6000 -6.749E-02 X I 3.8000 -5.388E-02 X I 4.0000 -4.305E-02 X I 4.2000 -3.442E-02 X I 4.4000 -2.754E-02 X I 4.6000 -2.204E-02 XI 4.8000 -1.764E-02 XI 5.0000 -1.413E-02 XI 5.2000 -1.131E-02 XI 4f d10 d10 4f C 54469.3 49193.8 5000. 10.5 4f d10 d10 4f C 54469.3 49193.8 5000. 10.500 0.000 0.000 0.000 12 47.00 CONFIG=d10 4f d10 L=3 ELIM= 64089.600 N= 4 E= 54469.300 E= -0.08766663 Z=1.0000 L=3.0000 STEP=-.1000 NUM= 6600 NSAVE= 6600 IRREG=0 IFITER=99 NNODES= 0 NUMR 6425 NUMS 6425 NUML 6571 RS 17.642 RL 3.000 P0 0.00000000 RSCALE 10.19417476 R 14.20000000 P0 0.00000000 RSCALE 9.89725705 R 14.10000000 P0 0.00000000 RSCALE 9.60898742 R 13.90000000 P0 0.00000000 RSCALE 9.32911400 R 13.80000000 P0 0.00000000 RSCALE 9.05739224 R 13.70000000 P0 0.00000000 RSCALE 8.79358470 R 13.60000000 P0 0.00000000 RSCALE 8.53746087 R 13.40000000 P0 0.00000000 RSCALE 8.28879696 R 13.30000000 P0 0.00000000 RSCALE 8.04737569 R 13.20000000 P0 0.00000000 RSCALE 7.81298611 R 13.00000000 P0 0.00000000 RSCALE 7.58542340 R 12.80000000 P0 0.00000000 RSCALE 7.36448874 R 12.70000000 P0 0.00000000 RSCALE 7.14998907 R 12.50000000 P0 0.00000000 RSCALE 6.94173696 R 12.30000000 P0 0.00000000 RSCALE 6.73955045 R 12.10000000 P0 0.00000000 RSCALE 6.54325286 R 11.90000000 P0 0.00000000 RSCALE 6.35267268 R 11.70000000 P0 0.00000000 RSCALE 6.16764338 R 11.50000000 P0 0.00000000 RSCALE 5.98800328 R 11.30000000 P0 0.00000000 RSCALE 5.81359542 R 11.10000000 P0 0.00000000 RSCALE 5.64426740 R 10.90000000 P0 0.00000000 RSCALE 5.47987126 R 10.70000000 P0 0.00000000 RSCALE 5.32026336 R 10.50000000 P0 0.00000000 RSCALE 5.16530423 R 10.30000000 P0 0.00000000 RSCALE 5.01485848 R 10.10000000 P0 0.00000000 RSCALE 4.86879464 R 9.90000000 P0 0.00000000 RSCALE 4.72698509 R 9.70000000 P0 0.00000000 RSCALE 4.58930591 R 9.60000000 P0 0.00000000 RSCALE 4.45563680 R 9.50000000 P0 0.00000000 RSCALE 4.32586097 R 9.40000000 P0 0.00000000 RSCALE 4.19986502 R 9.30000000 P0 0.00000000 RSCALE 4.07753886 R 9.30000000 P0 0.00000000 RSCALE 3.95877559 R 9.20000000 P0 0.00000000 RSCALE 3.84347145 R 9.20000000 P0 0.00000000 RSCALE 3.73152568 R 9.10000000 P0 0.00000000 RSCALE 3.62284046 R 9.10000000 P0 0.00000000 RSCALE 3.51732084 R 9.10000000 P0 0.00000000 RSCALE 3.41487460 R 9.10000000 P0 0.00000000 RSCALE 3.31541223 R 9.10000000 P0 0.00000000 RSCALE 3.21884683 R 9.10000000 P0 0.00000000 RSCALE 3.12509401 R 9.10000000 P0 0.00000000 RSCALE 3.03407185 R 9.10000000 P0 0.00000000 RSCALE 2.94570083 R 9.10000000 P0 0.00000000 RSCALE 2.85990372 R 9.10000000 P0 0.00000000 RSCALE 2.77660555 R 9.10000000 P0 0.00000000 RSCALE 2.69573354 R 9.10000000 P0 0.00000000 RSCALE 2.61721703 R 9.10000000 P0 0.00000000 RSCALE 2.54098741 R 9.10000000 INWARD INTEGRATION STOPS AT 92 ORIGIN ~R**2 CNORM= 2.72190E-01 0.1000 3.555E-07 X 0.2000 1.422E-06 X 0.3000 3.199E-06 X 0.4000 5.688E-06 X 0.5000 8.887E-06 X 0.6000 1.280E-05 X 0.7000 1.742E-05 X 0.8000 2.275E-05 X 0.9000 2.879E-05 X 1.0000 3.555E-05 X 1.1000 4.301E-05 X 1.2000 5.119E-05 X 1.3000 6.008E-05 X 1.4000 6.967E-05 X 1.5000 7.998E-05 X 1.6000 9.100E-05 X 1.7000 1.027E-04 X 1.8000 1.152E-04 X 1.9000 1.283E-04 X 2.0000 1.422E-04 X 2.2000 1.720E-04 X 2.4000 2.048E-04 X 2.6000 2.403E-04 X 2.8000 2.787E-04 X 3.0000 3.199E-04 X 3.2000 3.640E-04 X 3.4000 4.109E-04 X 3.6000 4.607E-04 X 3.8000 5.133E-04 X 4.0000 5.688E-04 X 4.2000 6.271E-04 X 4.4000 6.882E-04 X 4.6000 7.522E-04 X 4.8000 8.190E-04 X 5.0000 8.887E-04 X 5.2000 9.612E-04 X 5.4000 1.037E-03 X 5.6000 1.115E-03 X 5.8000 1.196E-03 X 6.0000 1.280E-03 X 6.2000 1.366E-03 X 6.4000 1.456E-03 X 6.6000 1.548E-03 X 6.8000 1.644E-03 X 7.0000 1.742E-03 X 7.2000 1.843E-03 X 7.4000 1.947E-03 X 7.6000 2.053E-03 X 7.8000 2.163E-03 X 8.0000 2.275E-03 X 8.2000 2.390E-03 X 8.4000 2.508E-03 X 8.6000 2.629E-03 X 8.8000 2.753E-03 X 9.0000 2.879E-03 X 9.2000 3.009E-03 X 9.4000 9.632E-03 I X 9.6000 1.626E-02 I X 9.8000 2.289E-02 I X 10.0000 2.953E-02 I X 10.4000 4.284E-02 I X 10.8000 5.620E-02 I X 11.2000 6.960E-02 I X 11.6000 8.305E-02 I X 12.0000 9.656E-02 I X 12.4000 1.101E-01 I X 12.8000 1.238E-01 I X 13.2000 1.376E-01 I X 13.6000 1.514E-01 I X 14.0000 1.654E-01 I X 14.4000 1.796E-01 I X 14.8000 1.939E-01 I X 15.2000 2.085E-01 I X 15.6000 2.233E-01 I X 16.0000 2.385E-01 I X 16.4000 2.540E-01 I X 16.8000 2.699E-01 I X 17.2000 2.864E-01 I X 17.6000 3.033E-01 I X 18.0000 3.177E-01 I X 18.4000 3.278E-01 I X 18.8000 3.340E-01 I X 19.2000 3.367E-01 I X 19.6000 3.364E-01 I X 20.0000 3.334E-01 I X 20.5000 3.265E-01 I X 21.0000 3.167E-01 I X 21.5000 3.048E-01 I X 22.0000 2.912E-01 I X 22.5000 2.766E-01 I X 23.0000 2.612E-01 I X 23.5000 2.455E-01 I X 24.0000 2.298E-01 I X 24.5000 2.142E-01 I X 25.0000 1.991E-01 I X 25.5000 1.844E-01 I X 26.0000 1.703E-01 I X 26.5000 1.569E-01 I X 27.0000 1.443E-01 I X 27.5000 1.323E-01 I X 28.0000 1.212E-01 I X 28.5000 1.108E-01 I X 29.0000 1.011E-01 I X 29.5000 9.213E-02 I X 30.0000 8.386E-02 I X 31.0000 6.922E-02 I X 32.0000 5.691E-02 I X 33.0000 4.662E-02 I X 34.0000 3.808E-02 I X 35.0000 3.102E-02 I X 36.0000 2.520E-02 I X 37.0000 2.043E-02 I X 38.0000 1.653E-02 I X 39.0000 1.335E-02 I X 40.0000 1.075E-02 I X 41.0000 8.651E-03 IX 42.0000 6.946E-03 IX 43.0000 5.568E-03 IX 44.0000 4.457E-03 IX 45.0000 3.561E-03 IX 5f d10 d10 5f D 56677.4 51677.4 FIXEDHF 5000. HF8. 5f d10 d10 5f D 56677.4 51677.4 FIXEDHF 5000. HF 8.000 0.000 0.000 0.000 13 47.00 CONFIG=d10 5f d10 L=3 ELIM= 56099.000 N= 5 E= 51677.400HF E= -0.04029259 Z=1.0000 L=3.0000 STEP=-.1000 NUM= 10100 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 1 NUMR 9925 NUMS 9925 NUML10071 RS 17.642 RL 3.000 P0 0.00000000 RSCALE 7.76699029 R 11.00000000 P0 0.00000000 RSCALE 7.54076727 R 10.80000000 P0 0.00000000 RSCALE 7.32113327 R 10.60000000 P0 0.00000000 RSCALE 7.10789638 R 10.40000000 P0 0.00000000 RSCALE 6.90087028 R 10.20000000 P0 0.00000000 RSCALE 6.69987405 R 10.00000000 P0 0.00000000 RSCALE 6.50473209 R 9.80000000 P0 0.00000000 RSCALE 6.31527387 R 9.60000000 P0 0.00000000 RSCALE 6.13133386 R 9.40000000 P0 0.00000000 RSCALE 5.95275132 R 9.20000000 P0 0.00000000 RSCALE 5.77937021 R 9.00000000 P0 0.00000000 RSCALE 5.61103904 R 8.80000000 P0 0.00000000 RSCALE 5.44761072 R 8.60000000 P0 0.00000000 RSCALE 5.28894245 R 8.30000000 P0 0.00000000 RSCALE 5.13489558 R 8.10000000 P0 0.00000000 RSCALE 4.98533551 R 7.90000000 P0 0.00000000 RSCALE 4.84013157 R 7.70000000 P0 0.00000000 RSCALE 4.69915686 R 7.50000000 P0 0.00000000 RSCALE 4.56228821 R 7.30000000 P0 0.00000000 RSCALE 4.42940603 R 7.10000000 P0 0.00000000 RSCALE 4.30039421 R 6.95000000 P0 0.00000000 RSCALE 4.17514001 R 6.80000000 P0 0.00000000 RSCALE 4.05353399 R 6.60000000 P0 0.00000000 RSCALE 3.93546989 R 6.40000000 P0 0.00000000 RSCALE 3.82084455 R 6.25000000 P0 0.00000000 RSCALE 3.70955782 R 6.05000000 P0 0.00000000 RSCALE 3.60151245 R 5.90000000 P0 0.00000000 RSCALE 3.49661403 R 5.75000000 P0 0.00000000 RSCALE 3.39477090 R 5.55000000 P0 0.00000000 RSCALE 3.29589408 R 5.40000000 P0 0.00000000 RSCALE 3.19989716 R 5.25000000 P0 0.00000000 RSCALE 3.10669627 R 5.10000000 P0 0.00000000 RSCALE 3.01620997 R 4.95000000 P0 0.00000000 RSCALE 2.92835920 R 4.80000000 P0 0.00000000 RSCALE 2.84306718 R 4.65000000 P0 0.00000000 RSCALE 2.76025940 R 4.50000000 P0 0.00000000 RSCALE 2.67986350 R 4.40000000 P0 0.00000000 RSCALE 2.60180922 R 4.25000000 P0 0.00000000 RSCALE 2.52602837 R 4.12500000 P0 0.00000000 RSCALE 2.45245473 R 4.00000000 P0 0.00000000 RSCALE 2.38102401 R 3.85000000 P0 0.00000000 RSCALE 2.31167379 R 3.75000000 P0 0.00000000 RSCALE 2.24434349 R 3.60000000 P0 0.00000000 RSCALE 2.17897426 R 3.50000000 P0 0.00000000 RSCALE 2.11550899 R 3.40000000 P0 0.00000000 RSCALE 2.05389222 R 3.25000000 P0 0.00000000 RSCALE 1.99407012 R 3.15000000 P0 0.00000000 RSCALE 1.93599041 R 3.05000000 RMAX 1.93599041 RMIN -1.00000000 RSCALE 1.87960234 RMAX 1.87960234 RMIN -1.00000000 RSCALE 1.82485664 RMAX 1.82485664 RMIN -1.00000000 RSCALE 1.77170547 RMAX 1.77170547 RMIN -1.00000000 RSCALE 1.72010240 RMAX 1.72010240 RMIN -1.00000000 RSCALE 1.67000233 RMAX 1.67000233 RMIN -1.00000000 RSCALE 1.62136149 RMAX 1.62136149 RMIN -1.00000000 RSCALE 1.57413737 RMAX 1.57413737 RMIN -1.00000000 RSCALE 1.52828871 RMAX 1.52828871 RMIN -1.00000000 RSCALE 1.48377544 RMAX 1.48377544 RMIN -1.00000000 RSCALE 1.44055868 RMAX 1.44055868 RMIN -1.00000000 RSCALE 1.39860066 RMAX 1.39860066 RMIN -1.00000000 RSCALE 1.35786472 RMAX 1.35786472 RMIN -1.00000000 RSCALE 1.31831526 RMAX 1.31831526 RMIN -1.00000000 RSCALE 1.27991773 DEL 0.12934239 RSCALE 1.27991773 DEL 0.17559093 RSCALE 1.26749359 DEL 0.12934239 RSCALE 1.27991773 DEL 0.07291949 RSCALE 1.29246366 DEL -0.00238201 RSCALE 1.30513256 DEL 0.00044524 RSCALE 1.30473180 DEL 0.00000250 RSCALE 1.30479491 DEL 0.00000000 RSCALE 1.30479527 CNORM= 9.98079E-01 0.1000 1.050E-04 X 0.2000 6.836E-04 X 0.3000 1.571E-03 X 0.4000 2.452E-03 IX 0.5000 3.164E-03 IX 0.6000 3.674E-03 IX 0.7000 4.005E-03 IX 0.8000 4.201E-03 IX 0.9000 4.305E-03 IX 1.0000 4.351E-03 IX 1.1000 4.369E-03 IX 1.2000 4.377E-03 IX 1.3000 4.391E-03 IX 1.4000 4.421E-03 IX 1.5000 4.475E-03 IX 1.6000 4.558E-03 IX 1.7000 4.674E-03 IX 1.8000 4.826E-03 IX 1.9000 5.017E-03 IX 2.0000 5.248E-03 IX 2.2000 5.836E-03 IX 2.4000 6.604E-03 I X 2.6000 7.562E-03 I X 2.8000 8.719E-03 I X 3.0000 1.008E-02 I X 3.2000 1.167E-02 I X 3.4000 1.347E-02 I X 3.6000 1.551E-02 I X 3.8000 1.777E-02 I X 4.0000 2.027E-02 I X 4.2000 2.299E-02 I X 4.4000 2.593E-02 I X 4.6000 2.909E-02 I X 4.8000 3.244E-02 I X 5.0000 3.599E-02 I X 5.2000 3.970E-02 I X 5.4000 4.358E-02 I X 5.6000 4.759E-02 I X 5.8000 5.174E-02 I X 6.0000 5.599E-02 I X 6.2000 6.033E-02 I X 6.4000 6.474E-02 I X 6.6000 6.920E-02 I X 6.8000 7.370E-02 I X 7.0000 7.822E-02 I X 7.2000 8.274E-02 I X 7.4000 8.723E-02 I X 7.6000 9.169E-02 I X 7.8000 9.610E-02 I X 8.0000 1.004E-01 I X 8.2000 1.047E-01 I X 8.4000 1.088E-01 I X 8.6000 1.128E-01 I X 8.8000 1.167E-01 I X 9.0000 1.204E-01 I X 9.2000 1.240E-01 I X 9.4000 1.274E-01 I X 9.6000 1.306E-01 I X 9.8000 1.336E-01 I X 10.0000 1.364E-01 I X 10.4000 1.414E-01 I X 10.8000 1.454E-01 I X 11.2000 1.484E-01 I X 11.6000 1.504E-01 I X 12.0000 1.514E-01 I X 12.4000 1.514E-01 I X 12.8000 1.503E-01 I X 13.2000 1.482E-01 I X 13.6000 1.451E-01 I X 14.0000 1.410E-01 I X 14.4000 1.360E-01 I X 14.8000 1.301E-01 I X 15.2000 1.233E-01 I X 15.6000 1.158E-01 I X 16.0000 1.076E-01 I X 16.4000 9.872E-02 I X 16.8000 8.926E-02 I X 17.2000 7.927E-02 I X 17.6000 6.884E-02 I X 18.0000 5.780E-02 I X 18.4000 4.614E-02 I X 18.8000 3.404E-02 I X 19.2000 2.164E-02 I X 19.6000 9.050E-03 I X 20.0000 -3.609E-03 XI 20.5000 -1.939E-02 X I 21.0000 -3.497E-02 X I 21.5000 -5.022E-02 X I 22.0000 -6.504E-02 X I 22.5000 -7.933E-02 X I 23.0000 -9.302E-02 X I 23.5000 -1.061E-01 X I 24.0000 -1.184E-01 X I 24.5000 -1.301E-01 X I 25.0000 -1.410E-01 X I 25.5000 -1.511E-01 X I 26.0000 -1.604E-01 X I 26.5000 -1.690E-01 X I 27.0000 -1.768E-01 X I 27.5000 -1.839E-01 X I 28.0000 -1.902E-01 X I 28.5000 -1.957E-01 X I 29.0000 -2.005E-01 X I 29.5000 -2.045E-01 X I 30.0000 -2.079E-01 X I 31.0000 -2.126E-01 X I 32.0000 -2.148E-01 X I 33.0000 -2.148E-01 X I 34.0000 -2.128E-01 X I 35.0000 -2.090E-01 X I 36.0000 -2.038E-01 X I 37.0000 -1.974E-01 X I 38.0000 -1.899E-01 X I 39.0000 -1.817E-01 X I 40.0000 -1.729E-01 X I 41.0000 -1.638E-01 X I 42.0000 -1.544E-01 X I 43.0000 -1.449E-01 X I 44.0000 -1.355E-01 X I 45.0000 -1.262E-01 X I 46.0000 -1.171E-01 X I 47.0000 -1.084E-01 X I 48.0000 -9.994E-02 X I 49.0000 -9.189E-02 X I 50.0000 -8.425E-02 X I 51.0000 -7.704E-02 X I 52.0000 -7.027E-02 X I 53.0000 -6.393E-02 X I 54.0000 -5.804E-02 X I 55.0000 -5.257E-02 X I 56.0000 -4.751E-02 X I 57.0000 -4.285E-02 X I 58.0000 -3.858E-02 X I 59.0000 -3.467E-02 X I 60.0000 -3.110E-02 X I 62.0000 -2.489E-02 X I 64.0000 -1.980E-02 X I 66.0000 -1.565E-02 X I 68.0000 -1.231E-02 X I 70.0000 -9.629E-03 X I 72.0000 -7.496E-03 X I 74.0000 -5.810E-03 XI 76.0000 -4.483E-03 XI 78.0000 -3.446E-03 XI 80.0000 -2.638E-03 XI 6f d10 d10 6f E 58029.4 53029.4 FIXEDHF 5000. HF8. 6f d10 d10 6f E 58029.4 53029.4 FIXEDHF 5000. HF 8.000 0.000 0.000 0.000 14 47.00 CONFIG=d10 6f d10 L=3 ELIM= 56099.000 N= 6 E= 53029.400HF E= -0.02797225 Z=1.0000 L=3.0000 STEP=-.1000 NUM= 12400 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 2 NUMR12225 NUMS12225 NUML12371 RS 17.642 RL 3.000 P0 0.00000000 RSCALE 7.76699029 R 10.50000000 P0 0.00000000 RSCALE 7.54076727 R 10.30000000 P0 0.00000000 RSCALE 7.32113327 R 10.20000000 P0 0.00000000 RSCALE 7.10789638 R 10.00000000 P0 0.00000000 RSCALE 6.90087028 R 9.80000000 P0 0.00000000 RSCALE 6.69987405 R 9.60000000 P0 0.00000000 RSCALE 6.50473209 R 9.50000000 P0 0.00000000 RSCALE 6.31527387 R 9.30000000 P0 0.00000000 RSCALE 6.13133386 R 9.10000000 P0 0.00000000 RSCALE 5.95275132 R 8.90000000 P0 0.00000000 RSCALE 5.77937021 R 8.70000000 P0 0.00000000 RSCALE 5.61103904 R 8.50000000 P0 0.00000000 RSCALE 5.44761072 R 8.30000000 P0 0.00000000 RSCALE 5.28894245 R 8.20000000 P0 0.00000000 RSCALE 5.13489558 R 8.00000000 P0 0.00000000 RSCALE 4.98533551 R 7.80000000 P0 0.00000000 RSCALE 4.84013157 R 7.60000000 P0 0.00000000 RSCALE 4.69915686 R 7.40000000 P0 0.00000000 RSCALE 4.56228821 R 7.20000000 P0 0.00000000 RSCALE 4.42940603 R 7.10000000 P0 0.00000000 RSCALE 4.30039421 R 6.90000000 P0 0.00000000 RSCALE 4.17514001 R 6.75000000 P0 0.00000000 RSCALE 4.05353399 R 6.55000000 P0 0.00000000 RSCALE 3.93546989 R 6.40000000 P0 0.00000000 RSCALE 3.82084455 R 6.20000000 P0 0.00000000 RSCALE 3.70955782 R 6.05000000 P0 0.00000000 RSCALE 3.60151245 R 5.90000000 P0 0.00000000 RSCALE 3.49661403 R 5.75000000 P0 0.00000000 RSCALE 3.39477090 R 5.55000000 P0 0.00000000 RSCALE 3.29589408 R 5.40000000 P0 0.00000000 RSCALE 3.19989716 R 5.25000000 P0 0.00000000 RSCALE 3.10669627 R 5.15000000 P0 0.00000000 RSCALE 3.01620997 R 5.00000000 P0 0.00000000 RSCALE 2.92835920 R 4.85000000 P0 0.00000000 RSCALE 2.84306718 R 4.70000000 P0 0.00000000 RSCALE 2.76025940 R 4.60000000 P0 0.00000000 RSCALE 2.67986350 R 4.45000000 P0 0.00000000 RSCALE 2.60180922 R 4.35000000 P0 0.00000000 RSCALE 2.52602837 R 4.25000000 P0 0.00000000 RSCALE 2.45245473 R 4.10000000 P0 0.00000000 RSCALE 2.38102401 R 4.00000000 P0 0.00000000 RSCALE 2.31167379 R 3.90000000 P0 0.00000000 RSCALE 2.24434349 R 3.80000000 P0 0.00000000 RSCALE 2.17897426 R 3.70000000 P0 0.00000000 RSCALE 2.11550899 R 3.60000000 P0 0.00000000 RSCALE 2.05389222 R 3.55000000 P0 0.00000000 RSCALE 1.99407012 R 3.45000000 P0 0.00000000 RSCALE 1.93599041 R 3.40000000 P0 0.00000000 RSCALE 1.87960234 R 3.30000000 P0 0.00000000 RSCALE 1.82485664 R 3.25000000 P0 0.00000000 RSCALE 1.77170547 R 3.20000000 P0 0.00000000 RSCALE 1.72010240 R 3.15000000 P0 0.00000000 RSCALE 1.67000233 R 3.10000000 P0 0.00000000 RSCALE 1.62136149 R 3.05000000 P0 0.00000000 RSCALE 1.57413737 R 3.05000000 P0 0.00000000 RSCALE 1.52828871 R 3.00000000 P0 0.00000000 RSCALE 1.48377544 R 3.00000000 RMAX 1.48377544 RMIN -1.00000000 RSCALE 1.44055868 RMAX 1.44055868 RMIN -1.00000000 RSCALE 1.39860066 RMAX 1.39860066 RMIN -1.00000000 RSCALE 1.35786472 RMAX 1.35786472 RMIN -1.00000000 RSCALE 1.31831526 RMAX 1.31831526 RMIN -1.00000000 RSCALE 1.27991773 DEL -0.94730404 RSCALE 1.27991773 DEL -0.95066742 RSCALE 1.29246366 DEL -0.94730404 RSCALE 1.27991773 DEL -0.94449164 RSCALE 1.26749359 DEL -0.94205113 RSCALE 1.25519005 DEL -0.93988848 RSCALE 1.24300594 DEL -0.93794791 RSCALE 1.23094010 DEL -0.93619294 RSCALE 1.21899138 DEL -0.93459788 RSCALE 1.20715865 DEL -0.93314335 RSCALE 1.19544078 DEL -0.93181389 RSCALE 1.18383665 DEL -0.93059672 RSCALE 1.17234517 DEL -0.92948095 RSCALE 1.16096523 DEL -0.92845711 RSCALE 1.14969576 DEL -0.92751700 RSCALE 1.13853568 DEL -0.92665307 RSCALE 1.12748393 DEL -0.92585849 RSCALE 1.11653946 DEL -0.92512704 RSCALE 1.10570123 DEL -0.92445326 RSCALE 1.09496821 DEL -0.92383206 RSCALE 1.08433937 DEL -0.92325870 RSCALE 1.07381370 DEL -0.92272885 RSCALE 1.06339021 DEL -0.92223873 RSCALE 1.05306789 DEL -0.92178483 RSCALE 1.04284578 DEL -0.92136383 RSCALE 1.03272289 DEL -0.92097279 RSCALE 1.02269827 DEL -0.92060917 RSCALE 1.01277095 DEL -0.92027052 RSCALE 1.00294000 DEL -0.91995461 RSCALE 0.99320447 DEL -0.91965962 RSCALE 0.98356345 DEL -0.91938377 RSCALE 0.97401602 DEL -0.91912546 RSCALE 0.96456126 DEL -0.91888338 RSCALE 0.95519828 DEL -0.91865629 RSCALE 0.94592618 DEL -0.91844305 RSCALE 0.93674409 DEL -0.91824276 RSCALE 0.92765113 DEL -0.91805455 RSCALE 0.91864644 NOT CONVERGED NOT CONVERGED NOT CONVERGED NOT CONVERGED NOT CONVERGED NOT CONVERGED CNORM= 1.00910E+00 0.1000 1.231E-07 X 0.2000 9.207E-07 X 0.3000 2.541E-06 X 0.4000 4.904E-06 X 0.5000 7.983E-06 X 0.6000 1.183E-05 X 0.7000 1.656E-05 X 0.8000 2.233E-05 X 0.9000 2.931E-05 X 1.0000 3.771E-05 X 1.1000 4.774E-05 X 1.2000 5.964E-05 X 1.3000 7.364E-05 X 1.4000 9.001E-05 X 1.5000 1.090E-04 X 1.6000 1.309E-04 X 1.7000 1.560E-04 X 1.8000 1.845E-04 X 1.9000 2.168E-04 X 2.0000 2.530E-04 X 2.2000 3.386E-04 X 2.4000 4.434E-04 X 2.6000 5.692E-04 X 2.8000 7.175E-04 X 3.0000 8.896E-04 X 3.2000 3.160E-03 IX 3.4000 5.501E-03 I X 3.6000 7.947E-03 I X 3.8000 1.052E-02 I X 4.0000 1.323E-02 I X 4.2000 1.609E-02 I X 4.4000 1.909E-02 I X 4.6000 2.225E-02 I X 4.8000 2.554E-02 I X 5.0000 2.898E-02 I X 5.2000 3.253E-02 I X 5.4000 3.620E-02 I X 5.6000 3.997E-02 I X 5.8000 4.383E-02 I X 6.0000 4.775E-02 I X 6.2000 5.173E-02 I X 6.4000 5.574E-02 I X 6.6000 5.978E-02 I X 6.8000 6.381E-02 I X 7.0000 6.783E-02 I X 7.2000 7.181E-02 I X 7.4000 7.574E-02 I X 7.6000 7.960E-02 I X 7.8000 8.337E-02 I X 8.0000 8.704E-02 I X 8.2000 9.059E-02 I X 8.4000 9.400E-02 I X 8.6000 9.726E-02 I X 8.8000 1.004E-01 I X 9.0000 1.033E-01 I X 9.2000 1.060E-01 I X 9.4000 1.085E-01 I X 9.6000 1.109E-01 I X 9.8000 1.129E-01 I X 10.0000 1.148E-01 I X 10.4000 1.178E-01 I X 10.8000 1.198E-01 I X 11.2000 1.208E-01 I X 11.6000 1.206E-01 I X 12.0000 1.195E-01 I X 12.4000 1.172E-01 I X 12.8000 1.140E-01 I X 13.2000 1.097E-01 I X 13.6000 1.045E-01 I X 14.0000 9.835E-02 I X 14.4000 9.138E-02 I X 14.8000 8.363E-02 I X 15.2000 7.517E-02 I X 15.6000 6.610E-02 I X 16.0000 5.649E-02 I X 16.4000 4.643E-02 I X 16.8000 3.600E-02 I X 17.2000 2.528E-02 I X 17.6000 1.438E-02 I X 18.0000 3.328E-03 IX 18.4000 -7.768E-03 X I 18.8000 -1.877E-02 X I 19.2000 -2.958E-02 X I 19.6000 -4.008E-02 X I 20.0000 -5.019E-02 X I 20.5000 -6.218E-02 X I 21.0000 -7.333E-02 X I 21.5000 -8.357E-02 X I 22.0000 -9.282E-02 X I 22.5000 -1.010E-01 X I 23.0000 -1.082E-01 X I 23.5000 -1.143E-01 X I 24.0000 -1.192E-01 X I 24.5000 -1.231E-01 X I 25.0000 -1.259E-01 X I 25.5000 -1.276E-01 X I 26.0000 -1.283E-01 X I 26.5000 -1.279E-01 X I 27.0000 -1.266E-01 X I 27.5000 -1.244E-01 X I 28.0000 -1.212E-01 X I 28.5000 -1.172E-01 X I 29.0000 -1.124E-01 X I 29.5000 -1.068E-01 X I 30.0000 -1.006E-01 X I 31.0000 -8.619E-02 X I 32.0000 -6.974E-02 X I 33.0000 -5.170E-02 X I 34.0000 -3.255E-02 X I 35.0000 -1.272E-02 X I 36.0000 7.350E-03 I X 37.0000 2.729E-02 I X 38.0000 4.677E-02 I X 39.0000 6.548E-02 I X 40.0000 8.319E-02 I X 41.0000 9.969E-02 I X 42.0000 1.148E-01 I X 43.0000 1.285E-01 I X 44.0000 1.406E-01 I X 45.0000 1.512E-01 I X 46.0000 1.601E-01 I X 47.0000 1.675E-01 I X 48.0000 1.733E-01 I X 49.0000 1.777E-01 I X 50.0000 1.807E-01 I X 51.0000 1.824E-01 I X 52.0000 1.829E-01 I X 53.0000 1.822E-01 I X 54.0000 1.806E-01 I X 55.0000 1.780E-01 I X 56.0000 1.747E-01 I X 57.0000 1.707E-01 I X 58.0000 1.661E-01 I X 59.0000 1.611E-01 I X 60.0000 1.556E-01 I X 62.0000 1.438E-01 I X 64.0000 1.312E-01 I X 66.0000 1.185E-01 I X 68.0000 1.060E-01 I X 70.0000 9.403E-02 I X 72.0000 8.270E-02 I X 74.0000 7.219E-02 I X 76.0000 6.259E-02 I X 78.0000 5.392E-02 I X 80.0000 4.617E-02 I X 82.0000 3.932E-02 I X 84.0000 3.331E-02 I X 86.0000 2.809E-02 I X 88.0000 2.357E-02 I X 90.0000 1.970E-02 I X 92.0000 1.639E-02 I X 94.0000 1.359E-02 I X 96.0000 1.122E-02 I X 98.0000 9.237E-03 I X 100.0000 7.578E-03 I X 104.0000 5.053E-03 I X 108.0000 3.331E-03 IX 112.0000 2.173E-03 IX 7f d10 d10 7f F 58844.9 53844.9 FIXEDHF 5000. HF8. 7f d10 d10 7f F 58844.9 53844.9 FIXEDHF 5000. HF 8.000 0.000 0.000 0.000 15 47.00 CONFIG=d10 7f d10 L=3 ELIM= 56099.000 N= 7 E= 53844.900HF E= -0.02054087 Z=1.0000 L=3.0000 STEP=-.1000 NUM= 14800 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 3 NUMR14625 NUMS14625 NUML14771 RS 17.642 RL 3.000 P0 0.00000000 RSCALE 7.76699029 R 10.30000000 P0 0.00000000 RSCALE 7.54076727 R 10.10000000 P0 0.00000000 RSCALE 7.32113327 R 10.00000000 P0 0.00000000 RSCALE 7.10789638 R 9.80000000 P0 0.00000000 RSCALE 6.90087028 R 9.60000000 P0 0.00000000 RSCALE 6.69987405 R 9.50000000 P0 0.00000000 RSCALE 6.50473209 R 9.30000000 P0 0.00000000 RSCALE 6.31527387 R 9.10000000 P0 0.00000000 RSCALE 6.13133386 R 9.00000000 P0 0.00000000 RSCALE 5.95275132 R 8.80000000 P0 0.00000000 RSCALE 5.77937021 R 8.60000000 P0 0.00000000 RSCALE 5.61103904 R 8.40000000 P0 0.00000000 RSCALE 5.44761072 R 8.30000000 P0 0.00000000 RSCALE 5.28894245 R 8.10000000 P0 0.00000000 RSCALE 5.13489558 R 7.90000000 P0 0.00000000 RSCALE 4.98533551 R 7.70000000 P0 0.00000000 RSCALE 4.84013157 R 7.60000000 P0 0.00000000 RSCALE 4.69915686 R 7.40000000 P0 0.00000000 RSCALE 4.56228821 R 7.20000000 P0 0.00000000 RSCALE 4.42940603 R 7.00000000 P0 0.00000000 RSCALE 4.30039421 R 6.90000000 P0 0.00000000 RSCALE 4.17514001 R 6.70000000 P0 0.00000000 RSCALE 4.05353399 R 6.55000000 P0 0.00000000 RSCALE 3.93546989 R 6.40000000 P0 0.00000000 RSCALE 3.82084455 R 6.25000000 P0 0.00000000 RSCALE 3.70955782 R 6.05000000 P0 0.00000000 RSCALE 3.60151245 R 5.90000000 P0 0.00000000 RSCALE 3.49661403 R 5.75000000 P0 0.00000000 RSCALE 3.39477090 R 5.60000000 P0 0.00000000 RSCALE 3.29589408 R 5.45000000 P0 0.00000000 RSCALE 3.19989716 R 5.35000000 P0 0.00000000 RSCALE 3.10669627 R 5.20000000 P0 0.00000000 RSCALE 3.01620997 R 5.05000000 P0 0.00000000 RSCALE 2.92835920 R 4.95000000 P0 0.00000000 RSCALE 2.84306718 R 4.80000000 P0 0.00000000 RSCALE 2.76025940 R 4.70000000 P0 0.00000000 RSCALE 2.67986350 R 4.60000000 P0 0.00000000 RSCALE 2.60180922 R 4.45000000 P0 0.00000000 RSCALE 2.52602837 R 4.37500000 P0 0.00000000 RSCALE 2.45245473 R 4.25000000 P0 0.00000000 RSCALE 2.38102401 R 4.20000000 P0 0.00000000 RSCALE 2.31167379 R 4.10000000 P0 0.00000000 RSCALE 2.24434349 R 4.00000000 P0 0.00000000 RSCALE 2.17897426 R 3.95000000 P0 0.00000000 RSCALE 2.11550899 R 3.85000000 P0 0.00000000 RSCALE 2.05389222 R 3.80000000 P0 0.00000000 RSCALE 1.99407012 R 3.75000000 P0 0.00000000 RSCALE 1.93599041 R 3.70000000 P0 0.00000000 RSCALE 1.87960234 R 3.65000000 P0 0.00000000 RSCALE 1.82485664 R 3.65000000 P0 0.00000000 RSCALE 1.77170547 R 3.60000000 P0 0.00000000 RSCALE 1.72010240 R 3.60000000 P0 0.00000000 RSCALE 1.67000233 R 3.55000000 P0 0.00000000 RSCALE 1.62136149 R 3.55000000 P0 0.00000000 RSCALE 1.57413737 R 3.55000000 P0 0.00000000 RSCALE 1.52828871 R 3.55000000 P0 0.00000000 RSCALE 1.48377544 R 3.50000000 P0 0.00000000 RSCALE 1.44055868 R 3.50000000 P0 0.00000000 RSCALE 1.39860066 R 3.50000000 P0 0.00000000 RSCALE 1.35786472 R 3.50000000 P0 0.00000000 RSCALE 1.31831526 R 3.50000000 P0 0.00000000 RSCALE 1.27991773 R 3.50000000 P0 0.00000000 RSCALE 1.24263857 R 3.50000000 P0 0.00000000 RSCALE 1.20644522 R 3.50000000 P0 0.00000000 RSCALE 1.17130604 R 3.50000000 P0 0.00000000 RSCALE 1.13719033 R 3.50000000 P0 0.00000000 RSCALE 1.10406828 R 3.50000000 P0 0.00000000 RSCALE 1.07191095 R 3.50000000 P0 0.00000000 RSCALE 1.04069024 R 3.50000000 P0 0.00000000 RSCALE 1.01037888 R 3.50000000 INWARD INTEGRATION STOPS AT 36 ORIGIN ~R**2 CNORM= 1.00621E+00 0.1000 7.057E-07 X 0.2000 2.823E-06 X 0.3000 6.351E-06 X 0.4000 1.129E-05 X 0.5000 1.764E-05 X 0.6000 2.540E-05 X 0.7000 3.458E-05 X 0.8000 4.516E-05 X 0.9000 5.716E-05 X 1.0000 7.057E-05 X 1.1000 8.538E-05 X 1.2000 1.016E-04 X 1.3000 1.193E-04 X 1.4000 1.383E-04 X 1.5000 1.588E-04 X 1.6000 1.806E-04 X 1.7000 2.039E-04 X 1.8000 2.286E-04 X 1.9000 2.547E-04 X 2.0000 2.823E-04 X 2.2000 3.415E-04 X 2.4000 4.065E-04 X 2.6000 4.770E-04 X 2.8000 5.532E-04 X 3.0000 6.351E-04 X 3.2000 7.226E-04 X 3.4000 8.157E-04 X 3.6000 9.145E-04 X 3.8000 3.543E-03 IX 4.0000 6.216E-03 I X 4.2000 8.956E-03 I X 4.4000 1.178E-02 I X 4.6000 1.468E-02 I X 4.8000 1.768E-02 I X 5.0000 2.076E-02 I X 5.2000 2.393E-02 I X 5.4000 2.717E-02 I X 5.6000 3.049E-02 I X 5.8000 3.385E-02 I X 6.0000 3.726E-02 I X 6.2000 4.070E-02 I X 6.4000 4.416E-02 I X 6.6000 4.762E-02 I X 6.8000 5.107E-02 I X 7.0000 5.448E-02 I X 7.2000 5.786E-02 I X 7.4000 6.117E-02 I X 7.6000 6.441E-02 I X 7.8000 6.756E-02 I X 8.0000 7.060E-02 I X 8.2000 7.353E-02 I X 8.4000 7.632E-02 I X 8.6000 7.897E-02 I X 8.8000 8.146E-02 I X 9.0000 8.379E-02 I X 9.2000 8.593E-02 I X 9.4000 8.789E-02 I X 9.6000 8.964E-02 I X 9.8000 9.119E-02 I X 10.0000 9.253E-02 I X 10.4000 9.454E-02 I X 10.8000 9.563E-02 I X 11.2000 9.577E-02 I X 11.6000 9.496E-02 I X 12.0000 9.320E-02 I X 12.4000 9.050E-02 I X 12.8000 8.690E-02 I X 13.2000 8.243E-02 I X 13.6000 7.714E-02 I X 14.0000 7.109E-02 I X 14.4000 6.435E-02 I X 14.8000 5.698E-02 I X 15.2000 4.907E-02 I X 15.6000 4.069E-02 I X 16.0000 3.194E-02 I 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45.0000 1.091E-01 I X 46.0000 1.034E-01 I X 47.0000 9.595E-02 I X 48.0000 8.689E-02 I X 49.0000 7.645E-02 I X 50.0000 6.484E-02 I X 51.0000 5.228E-02 I X 52.0000 3.898E-02 I X 53.0000 2.516E-02 I X 54.0000 1.101E-02 I X 55.0000 -3.279E-03 XI 56.0000 -1.753E-02 X I 57.0000 -3.158E-02 X I 58.0000 -4.529E-02 X I 59.0000 -5.853E-02 X I 60.0000 -7.119E-02 X I 62.0000 -9.443E-02 X I 64.0000 -1.144E-01 X I 66.0000 -1.309E-01 X I 68.0000 -1.437E-01 X I 70.0000 -1.529E-01 X I 72.0000 -1.587E-01 X I 74.0000 -1.614E-01 X I 76.0000 -1.613E-01 X I 78.0000 -1.589E-01 X I 80.0000 -1.544E-01 X I 82.0000 -1.483E-01 X I 84.0000 -1.411E-01 X I 86.0000 -1.329E-01 X I 88.0000 -1.241E-01 X I 90.0000 -1.151E-01 X I 92.0000 -1.059E-01 X I 94.0000 -9.681E-02 X I 96.0000 -8.797E-02 X I 98.0000 -7.948E-02 X I 100.0000 -7.143E-02 X I 104.0000 -5.685E-02 X I 108.0000 -4.445E-02 X I 112.0000 -3.421E-02 X I 116.0000 -2.596E-02 X I 120.0000 -1.944E-02 X I 124.0000 -1.439E-02 X I 128.0000 -1.054E-02 X I 132.0000 -7.641E-03 X I 136.0000 -5.490E-03 X I 140.0000 -3.911E-03 XI 144.0000 -2.764E-03 XI 148.0000 -1.939E-03 XI 8f d10 d10 8f G 59374.1 54374.1 FIXEDHF 5000. HF8. 8f d10 d10 8f G 59374.1 54374.1 FIXEDHF 5000. 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7.50000000 P0 0.00000000 RSCALE 4.69915686 R 7.40000000 P0 0.00000000 RSCALE 4.56228821 R 7.20000000 P0 0.00000000 RSCALE 4.42940603 R 7.00000000 P0 0.00000000 RSCALE 4.30039421 R 6.90000000 P0 0.00000000 RSCALE 4.17514001 R 6.70000000 P0 0.00000000 RSCALE 4.05353399 R 6.55000000 P0 0.00000000 RSCALE 3.93546989 R 6.40000000 P0 0.00000000 RSCALE 3.82084455 R 6.25000000 P0 0.00000000 RSCALE 3.70955782 R 6.10000000 P0 0.00000000 RSCALE 3.60151245 R 5.95000000 P0 0.00000000 RSCALE 3.49661403 R 5.80000000 P0 0.00000000 RSCALE 3.39477090 R 5.65000000 P0 0.00000000 RSCALE 3.29589408 R 5.50000000 P0 0.00000000 RSCALE 3.19989716 R 5.35000000 P0 0.00000000 RSCALE 3.10669627 R 5.25000000 P0 0.00000000 RSCALE 3.01620997 R 5.10000000 P0 0.00000000 RSCALE 2.92835920 R 5.00000000 P0 0.00000000 RSCALE 2.84306718 R 4.85000000 P0 0.00000000 RSCALE 2.76025940 R 4.75000000 P0 0.00000000 RSCALE 2.67986350 R 4.65000000 P0 0.00000000 RSCALE 2.60180922 R 4.55000000 P0 0.00000000 RSCALE 2.52602837 R 4.45000000 P0 0.00000000 RSCALE 2.45245473 R 4.35000000 P0 0.00000000 RSCALE 2.38102401 R 4.25000000 P0 0.00000000 RSCALE 2.31167379 R 4.20000000 P0 0.00000000 RSCALE 2.24434349 R 4.15000000 P0 0.00000000 RSCALE 2.17897426 R 4.05000000 P0 0.00000000 RSCALE 2.11550899 R 4.00000000 P0 0.00000000 RSCALE 2.05389222 R 3.95000000 P0 0.00000000 RSCALE 1.99407012 R 3.90000000 P0 0.00000000 RSCALE 1.93599041 R 3.90000000 P0 0.00000000 RSCALE 1.87960234 R 3.85000000 P0 0.00000000 RSCALE 1.82485664 R 3.80000000 P0 0.00000000 RSCALE 1.77170547 R 3.80000000 P0 0.00000000 RSCALE 1.72010240 R 3.80000000 P0 0.00000000 RSCALE 1.67000233 R 3.75000000 P0 0.00000000 RSCALE 1.62136149 R 3.75000000 P0 0.00000000 RSCALE 1.57413737 R 3.75000000 P0 0.00000000 RSCALE 1.52828871 R 3.75000000 P0 0.00000000 RSCALE 1.48377544 R 3.75000000 P0 0.00000000 RSCALE 1.44055868 R 3.75000000 P0 0.00000000 RSCALE 1.39860066 R 3.75000000 P0 0.00000000 RSCALE 1.35786472 R 3.75000000 P0 0.00000000 RSCALE 1.31831526 R 3.75000000 P0 0.00000000 RSCALE 1.27991773 R 3.75000000 P0 0.00000000 RSCALE 1.24263857 R 3.75000000 P0 0.00000000 RSCALE 1.20644522 R 3.75000000 P0 0.00000000 RSCALE 1.17130604 R 3.75000000 P0 0.00000000 RSCALE 1.13719033 R 3.75000000 P0 0.00000000 RSCALE 1.10406828 R 3.75000000 P0 0.00000000 RSCALE 1.07191095 R 3.75000000 INWARD INTEGRATION STOPS AT 38 ORIGIN ~R**2 CNORM= 1.00398E+00 0.1000 3.221E-07 X 0.2000 1.288E-06 X 0.3000 2.899E-06 X 0.4000 5.153E-06 X 0.5000 8.051E-06 X 0.6000 1.159E-05 X 0.7000 1.578E-05 X 0.8000 2.061E-05 X 0.9000 2.609E-05 X 1.0000 3.221E-05 X 1.1000 3.897E-05 X 1.2000 4.638E-05 X 1.3000 5.443E-05 X 1.4000 6.312E-05 X 1.5000 7.246E-05 X 1.6000 8.245E-05 X 1.7000 9.307E-05 X 1.8000 1.043E-04 X 1.9000 1.163E-04 X 2.0000 1.288E-04 X 2.2000 1.559E-04 X 2.4000 1.855E-04 X 2.6000 2.177E-04 X 2.8000 2.525E-04 X 3.0000 2.899E-04 X 3.2000 3.298E-04 X 3.4000 3.723E-04 X 3.6000 4.174E-04 X 3.8000 4.651E-04 X 4.0000 2.886E-03 IX 4.2000 5.337E-03 I X 4.4000 7.835E-03 I X 4.6000 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18.0000 -2.014E-02 X I 18.4000 -2.758E-02 X I 18.8000 -3.465E-02 X I 19.2000 -4.127E-02 X I 19.6000 -4.738E-02 X I 20.0000 -5.295E-02 X I 20.5000 -5.907E-02 X I 21.0000 -6.423E-02 X I 21.5000 -6.838E-02 X I 22.0000 -7.152E-02 X I 22.5000 -7.364E-02 X I 23.0000 -7.475E-02 X I 23.5000 -7.489E-02 X I 24.0000 -7.408E-02 X I 24.5000 -7.236E-02 X I 25.0000 -6.978E-02 X I 25.5000 -6.640E-02 X I 26.0000 -6.227E-02 X I 26.5000 -5.746E-02 X I 27.0000 -5.203E-02 X I 27.5000 -4.606E-02 X I 28.0000 -3.961E-02 X I 28.5000 -3.276E-02 X I 29.0000 -2.559E-02 X I 29.5000 -1.817E-02 X I 30.0000 -1.057E-02 X I 31.0000 4.845E-03 I X 32.0000 2.009E-02 I X 33.0000 3.464E-02 I X 34.0000 4.802E-02 I X 35.0000 5.983E-02 I X 36.0000 6.976E-02 I X 37.0000 7.756E-02 I X 38.0000 8.308E-02 I X 39.0000 8.622E-02 I X 40.0000 8.699E-02 I X 41.0000 8.543E-02 I X 42.0000 8.166E-02 I X 43.0000 7.584E-02 I X 44.0000 6.818E-02 I X 45.0000 5.892E-02 I X 46.0000 4.832E-02 I X 47.0000 3.665E-02 I X 48.0000 2.420E-02 I X 49.0000 1.124E-02 I X 50.0000 -1.941E-03 XI 51.0000 -1.509E-02 X I 52.0000 -2.795E-02 X I 53.0000 -4.030E-02 X I 54.0000 -5.194E-02 X I 55.0000 -6.269E-02 X I 56.0000 -7.240E-02 X I 57.0000 -8.094E-02 X I 58.0000 -8.821E-02 X I 59.0000 -9.414E-02 X I 60.0000 -9.869E-02 X I 62.0000 -1.036E-01 X I 64.0000 -1.029E-01 X I 66.0000 -9.707E-02 X I 68.0000 -8.665E-02 X I 70.0000 -7.240E-02 X I 72.0000 -5.514E-02 X I 74.0000 -3.573E-02 X I 76.0000 -1.501E-02 X I 78.0000 6.226E-03 I X 80.0000 2.727E-02 I X 82.0000 4.752E-02 I X 84.0000 6.647E-02 I X 86.0000 8.373E-02 I X 88.0000 9.902E-02 I X 90.0000 1.122E-01 I X 92.0000 1.230E-01 I X 94.0000 1.317E-01 I X 96.0000 1.381E-01 I X 98.0000 1.424E-01 I X 100.0000 1.448E-01 I X 104.0000 1.443E-01 I X 108.0000 1.383E-01 I X 112.0000 1.284E-01 I X 116.0000 1.161E-01 I X 120.0000 1.025E-01 I X 124.0000 8.872E-02 I X 128.0000 7.546E-02 I X 132.0000 6.317E-02 I X 136.0000 5.214E-02 I X 140.0000 4.249E-02 I X 144.0000 3.422E-02 I X 148.0000 2.727E-02 I X 152.0000 2.152E-02 I X 156.0000 1.682E-02 I X 160.0000 1.304E-02 I X 164.0000 1.003E-02 I X 168.0000 7.659E-03 I X 172.0000 5.808E-03 I X 176.0000 4.375E-03 I X 180.0000 3.276E-03 IX 184.0000 2.439E-03 IX 188.0000 1.806E-03 IX 9f d10 d10 9f H 59737.0 54737.0 FIXEDHF 5000. HF8. 9f d10 d10 9f H 59737.0 54737.0 FIXEDHF 5000. 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7.50000000 P0 0.00000000 RSCALE 4.69915686 R 7.30000000 P0 0.00000000 RSCALE 4.56228821 R 7.20000000 P0 0.00000000 RSCALE 4.42940603 R 7.00000000 P0 0.00000000 RSCALE 4.30039421 R 6.85000000 P0 0.00000000 RSCALE 4.17514001 R 6.70000000 P0 0.00000000 RSCALE 4.05353399 R 6.55000000 P0 0.00000000 RSCALE 3.93546989 R 6.40000000 P0 0.00000000 RSCALE 3.82084455 R 6.25000000 P0 0.00000000 RSCALE 3.70955782 R 6.10000000 P0 0.00000000 RSCALE 3.60151245 R 5.95000000 P0 0.00000000 RSCALE 3.49661403 R 5.80000000 P0 0.00000000 RSCALE 3.39477090 R 5.65000000 P0 0.00000000 RSCALE 3.29589408 R 5.50000000 P0 0.00000000 RSCALE 3.19989716 R 5.40000000 P0 0.00000000 RSCALE 3.10669627 R 5.25000000 P0 0.00000000 RSCALE 3.01620997 R 5.15000000 P0 0.00000000 RSCALE 2.92835920 R 5.00000000 P0 0.00000000 RSCALE 2.84306718 R 4.90000000 P0 0.00000000 RSCALE 2.76025940 R 4.80000000 P0 0.00000000 RSCALE 2.67986350 R 4.70000000 P0 0.00000000 RSCALE 2.60180922 R 4.60000000 P0 0.00000000 RSCALE 2.52602837 R 4.50000000 P0 0.00000000 RSCALE 2.45245473 R 4.40000000 P0 0.00000000 RSCALE 2.38102401 R 4.35000000 P0 0.00000000 RSCALE 2.31167379 R 4.25000000 P0 0.00000000 RSCALE 2.24434349 R 4.20000000 P0 0.00000000 RSCALE 2.17897426 R 4.15000000 P0 0.00000000 RSCALE 2.11550899 R 4.10000000 P0 0.00000000 RSCALE 2.05389222 R 4.05000000 P0 0.00000000 RSCALE 1.99407012 R 4.00000000 P0 0.00000000 RSCALE 1.93599041 R 4.00000000 P0 0.00000000 RSCALE 1.87960234 R 3.95000000 P0 0.00000000 RSCALE 1.82485664 R 3.95000000 P0 0.00000000 RSCALE 1.77170547 R 3.90000000 P0 0.00000000 RSCALE 1.72010240 R 3.90000000 P0 0.00000000 RSCALE 1.67000233 R 3.90000000 P0 0.00000000 RSCALE 1.62136149 R 3.90000000 P0 0.00000000 RSCALE 1.57413737 R 3.90000000 P0 0.00000000 RSCALE 1.52828871 R 3.90000000 P0 0.00000000 RSCALE 1.48377544 R 3.85000000 P0 0.00000000 RSCALE 1.44055868 R 3.85000000 P0 0.00000000 RSCALE 1.39860066 R 3.85000000 P0 0.00000000 RSCALE 1.35786472 R 3.85000000 P0 0.00000000 RSCALE 1.31831526 R 3.85000000 P0 0.00000000 RSCALE 1.27991773 R 3.85000000 P0 0.00000000 RSCALE 1.24263857 R 3.85000000 P0 0.00000000 RSCALE 1.20644522 R 3.85000000 P0 0.00000000 RSCALE 1.17130604 R 3.85000000 P0 0.00000000 RSCALE 1.13719033 R 3.85000000 P0 0.00000000 RSCALE 1.10406828 R 3.85000000 INWARD INTEGRATION STOPS AT 39 ORIGIN ~R**2 CNORM= 1.00274E+00 0.1000 4.669E-08 X 0.2000 1.868E-07 X 0.3000 4.202E-07 X 0.4000 7.471E-07 X 0.5000 1.167E-06 X 0.6000 1.681E-06 X 0.7000 2.288E-06 X 0.8000 2.988E-06 X 0.9000 3.782E-06 X 1.0000 4.669E-06 X 1.1000 5.650E-06 X 1.2000 6.724E-06 X 1.3000 7.891E-06 X 1.4000 9.152E-06 X 1.5000 1.051E-05 X 1.6000 1.195E-05 X 1.7000 1.349E-05 X 1.8000 1.513E-05 X 1.9000 1.686E-05 X 2.0000 1.868E-05 X 2.2000 2.260E-05 X 2.4000 2.690E-05 X 2.6000 3.156E-05 X 2.8000 3.661E-05 X 3.0000 4.202E-05 X 3.2000 4.781E-05 X 3.4000 5.398E-05 X 3.6000 6.051E-05 X 3.8000 6.742E-05 X 4.0000 1.145E-03 X 4.2000 3.306E-03 IX 4.4000 5.494E-03 I X 4.6000 7.721E-03 I X 4.8000 9.992E-03 I X 5.0000 1.231E-02 I X 5.2000 1.467E-02 I X 5.4000 1.708E-02 I X 5.6000 1.952E-02 I X 5.8000 2.199E-02 I X 6.0000 2.448E-02 I X 6.2000 2.699E-02 I X 6.4000 2.949E-02 I X 6.6000 3.199E-02 I X 6.8000 3.447E-02 I X 7.0000 3.692E-02 I X 7.2000 3.932E-02 I X 7.4000 4.167E-02 I X 7.6000 4.396E-02 I X 7.8000 4.617E-02 I X 8.0000 4.830E-02 I X 8.2000 5.033E-02 I X 8.4000 5.225E-02 I X 8.6000 5.406E-02 I X 8.8000 5.574E-02 I X 9.0000 5.729E-02 I X 9.2000 5.869E-02 I X 9.4000 5.995E-02 I X 9.6000 6.106E-02 I X 9.8000 6.200E-02 I X 10.0000 6.278E-02 I X 10.4000 6.382E-02 I X 10.8000 6.416E-02 I X 11.2000 6.378E-02 I X 11.6000 6.269E-02 I X 12.0000 6.088E-02 I X 12.4000 5.839E-02 I X 12.8000 5.523E-02 I X 13.2000 5.145E-02 I X 13.6000 4.710E-02 I X 14.0000 4.221E-02 I X 14.4000 3.687E-02 I X 14.8000 3.111E-02 I X 15.2000 2.502E-02 I X 15.6000 1.866E-02 I X 16.0000 1.210E-02 I X 16.4000 5.415E-03 I X 16.8000 -1.327E-03 XI 17.2000 -8.056E-03 X I 17.6000 -1.470E-02 X I 18.0000 -2.115E-02 X I 18.4000 -2.728E-02 X I 18.8000 -3.302E-02 X I 19.2000 -3.832E-02 X I 19.6000 -4.313E-02 X I 20.0000 -4.742E-02 X I 20.5000 -5.200E-02 X I 21.0000 -5.569E-02 X I 21.5000 -5.846E-02 X I 22.0000 -6.031E-02 X I 22.5000 -6.125E-02 X I 23.0000 -6.132E-02 X I 23.5000 -6.052E-02 X I 24.0000 -5.891E-02 X I 24.5000 -5.653E-02 X I 25.0000 -5.343E-02 X I 25.5000 -4.967E-02 X I 26.0000 -4.532E-02 X I 26.5000 -4.042E-02 X I 27.0000 -3.506E-02 X I 27.5000 -2.931E-02 X I 28.0000 -2.323E-02 X I 28.5000 -1.689E-02 X I 29.0000 -1.037E-02 X I 29.5000 -3.745E-03 X I 30.0000 2.922E-03 IX 31.0000 1.610E-02 I X 32.0000 2.864E-02 I X 33.0000 4.009E-02 I X 34.0000 5.006E-02 I X 35.0000 5.823E-02 I X 36.0000 6.437E-02 I X 37.0000 6.834E-02 I X 38.0000 7.007E-02 I X 39.0000 6.957E-02 I X 40.0000 6.692E-02 I X 41.0000 6.225E-02 I X 42.0000 5.578E-02 I X 43.0000 4.772E-02 I X 44.0000 3.834E-02 I X 45.0000 2.794E-02 I X 46.0000 1.681E-02 I X 47.0000 5.245E-03 I X 48.0000 -6.445E-03 X I 49.0000 -1.798E-02 X I 50.0000 -2.910E-02 X I 51.0000 -3.956E-02 X I 52.0000 -4.914E-02 X I 53.0000 -5.766E-02 X I 54.0000 -6.497E-02 X I 55.0000 -7.096E-02 X I 56.0000 -7.552E-02 X I 57.0000 -7.862E-02 X I 58.0000 -8.023E-02 X I 59.0000 -8.035E-02 X I 60.0000 -7.903E-02 X I 62.0000 -7.230E-02 X I 64.0000 -6.076E-02 X I 66.0000 -4.536E-02 X I 68.0000 -2.722E-02 X I 70.0000 -7.513E-03 X I 72.0000 1.262E-02 I X 74.0000 3.210E-02 I X 76.0000 5.000E-02 I X 78.0000 6.555E-02 I X 80.0000 7.816E-02 I X 82.0000 8.744E-02 I X 84.0000 9.317E-02 I X 86.0000 9.530E-02 I X 88.0000 9.392E-02 I X 90.0000 8.926E-02 I X 92.0000 8.163E-02 I X 94.0000 7.142E-02 I X 96.0000 5.906E-02 I X 98.0000 4.503E-02 I X 100.0000 2.978E-02 I X 104.0000 -2.585E-03 XI 108.0000 -3.477E-02 X I 112.0000 -6.420E-02 X I 116.0000 -8.908E-02 X I 120.0000 -1.084E-01 X I 124.0000 -1.218E-01 X I 128.0000 -1.296E-01 X I 132.0000 -1.322E-01 X I 136.0000 -1.305E-01 X I 140.0000 -1.253E-01 X I 144.0000 -1.176E-01 X I 148.0000 -1.083E-01 X I 152.0000 -9.789E-02 X I 156.0000 -8.717E-02 X I 160.0000 -7.655E-02 X I 164.0000 -6.638E-02 X I 168.0000 -5.692E-02 X I 172.0000 -4.829E-02 X I 176.0000 -4.058E-02 X I 180.0000 -3.380E-02 X I 184.0000 -2.792E-02 X I 188.0000 -2.289E-02 X I 192.0000 -1.863E-02 X I 196.0000 -1.506E-02 X I 200.0000 -1.209E-02 X I 204.0000 -9.655E-03 X I 208.0000 -7.666E-03 X I 212.0000 -6.053E-03 X I 216.0000 -4.756E-03 X I 220.0000 -3.719E-03 X I 224.0000 -2.894E-03 XI 228.0000 -2.243E-03 XI 232.0000 -1.731E-03 XI 236.0000 -1.331E-03 XI 4d d8 5s4f d9 5s4f I 96209.8 87819.1 8500. 4d d8 5s4f d9 5s4f I 96209.8 87819.1 8500. 0.000 0.000 0.000 0.000 18 47.00 CONFIG=d9 5s4f d8 5s4f L=2 ELIM= 280444.600 N= 4 E= 96209.800 E= -1.67887112 Z=1.0000 L=2.0000 STEP=-.1000 NUM= 1500 NSAVE= 1500 IRREG=0 IFITER=99 NNODES= 1 NUMR 1325 NUMS 1325 NUML 1486 RS 17.642 RL 1.500 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 RMAX 1.41389386 RMIN -1.00000000 RSCALE 1.37271249 RMAX 1.37271249 RMIN -1.00000000 RSCALE 1.33273057 RMAX 1.33273057 RMIN -1.00000000 RSCALE 1.29391318 RMAX 1.29391318 RMIN -1.00000000 RSCALE 1.25622639 RMAX 1.25622639 RMIN -1.00000000 RSCALE 1.21963727 DEL 14.06511967 RSCALE 1.21963727 DEL 5.85628745 RSCALE 1.20779827 DEL 3.63512202 RSCALE 1.19935217 DEL 1.96309784 RSCALE 1.18771008 DEL 0.99633188 RSCALE 1.17618099 DEL 0.36723246 RSCALE 1.16476382 DEL 0.09050449 RSCALE 1.15809913 DEL 0.01062060 RSCALE 1.15591942 DEL 0.00034712 RSCALE 1.15562963 DEL 0.00000131 RSCALE 1.15561984 DEL 0.00000000 RSCALE 1.15561980 CNORM= 1.17153E+00 0.1000 2.645E-01 I X 0.2000 5.226E-01 I X 0.3000 3.694E-01 I X 0.4000 3.821E-03 X 0.5000 -3.732E-01 X I 0.6000 -6.699E-01 X I 0.7000 -8.660E-01 X I 0.8000 -9.727E-01 X I 0.9000 -1.011E+00 X I 1.0000 -1.001E+00 X I 1.1000 -9.595E-01 X I 1.2000 -8.995E-01 X I 1.3000 -8.298E-01 X I 1.4000 -7.567E-01 X I 1.5000 -6.840E-01 X I 1.6000 -6.143E-01 X I 1.7000 -5.490E-01 X I 1.8000 -4.888E-01 X I 1.9000 -4.340E-01 X I 2.0000 -3.845E-01 X I 2.2000 -3.005E-01 X I 2.4000 -2.340E-01 X I 2.6000 -1.819E-01 X I 2.8000 -1.413E-01 X I 3.0000 -1.098E-01 X I 3.2000 -8.540E-02 X I 3.4000 -6.646E-02 X I 3.6000 -5.176E-02 X I 3.8000 -4.034E-02 X I 4.0000 -3.147E-02 X I 4.2000 -2.457E-02 XI 4.4000 -1.919E-02 XI 4.6000 -1.499E-02 XI 4.8000 -1.172E-02 XI 5s d9 4f d9 5s4f I 96209.8 87819.1 8500. 5s d9 4f d9 5s4f I 96209.8 87819.1 8500. 0.000 0.000 0.000 0.000 18 47.00 CONFIG=d9 5s4f d9 4f L=0 ELIM= 207809.300 N= 5 E= 96209.800 E= -1.01696952 Z=1.0000 L=0.0000 STEP=-.1000 NUM= 1900 NSAVE= 1900 IRREG=0 IFITER=99 NNODES= 4 NUMR 1725 NUMS 1725 NUML 1899 RS 17.642 RL 0.250 RMAX 1.50000000 RMIN -1.00000000 RSCALE 1.45631068 RMAX 1.45631068 RMIN -1.00000000 RSCALE 1.41389386 DEL -0.93417887 RSCALE 1.41389386 RMAX 1.42775304 RMIN -1.00000000 RSCALE 1.42082345 DEL -0.96852680 RSCALE 1.42082345 DEL -0.89978216 RSCALE 1.40703154 DEL -0.82989951 RSCALE 1.39337351 DEL -0.75832766 RSCALE 1.37984805 DEL -0.68534295 RSCALE 1.36645389 DEL -0.60778917 RSCALE 1.35318974 DEL -0.52754516 RSCALE 1.34005435 DEL -0.44301694 RSCALE 1.32704646 DEL -0.35335480 RSCALE 1.31416484 DEL -0.25987457 RSCALE 1.30140826 DEL -0.15710095 RSCALE 1.28877551 DEL -0.04274962 RSCALE 1.27626539 DEL 0.00189812 RSCALE 1.27158855 DEL -0.00003463 RSCALE 1.27178737 DEL -0.00000003 RSCALE 1.27178381 DEL 0.00000000 RSCALE 1.27178381 CNORM= 5.96552E-01 0.1000 -1.758E-01 X I 0.2000 1.552E-01 I X 0.3000 2.442E-01 I X 0.4000 2.613E-02 I X 0.5000 -2.273E-01 X I 0.6000 -3.721E-01 X I 0.7000 -3.859E-01 X I 0.8000 -2.996E-01 X I 0.9000 -1.548E-01 X I 1.0000 1.370E-02 IX 1.1000 1.814E-01 I X 1.2000 3.339E-01 I X 1.3000 4.636E-01 I X 1.4000 5.680E-01 I X 1.5000 6.477E-01 I X 1.6000 7.046E-01 I X 1.7000 7.417E-01 I X 1.8000 7.619E-01 I X 1.9000 7.683E-01 I X 2.0000 7.636E-01 I X 2.2000 7.302E-01 I X 2.4000 6.769E-01 I X 2.6000 6.142E-01 I X 2.8000 5.488E-01 I X 3.0000 4.850E-01 I X 3.2000 4.250E-01 I X 3.4000 3.700E-01 I X 3.6000 3.206E-01 I X 3.8000 2.766E-01 I X 4.0000 2.380E-01 I X 4.2000 2.041E-01 I X 4.4000 1.747E-01 I X 4.6000 1.492E-01 I X 4.8000 1.272E-01 I X 5.0000 1.083E-01 I X 5.2000 9.202E-02 I X 5.4000 7.808E-02 I X 5.6000 6.616E-02 I X 5.8000 5.599E-02 I X 6.0000 4.732E-02 I X 6.2000 3.996E-02 I X 6.4000 3.370E-02 I X 6.6000 2.840E-02 I X 6.8000 2.391E-02 I X 7.0000 2.011E-02 IX 7.2000 1.690E-02 IX 7.4000 1.420E-02 IX 7.6000 1.191E-02 IX 7.8000 9.992E-03 IX 8.0000 8.375E-03 IX 4f d9 5s d9 5s4f I 96209.8 87819.1 8500. 10. 4f d9 5s d9 5s4f I 96209.8 87819.1 8500. 10.000 0.000 0.000 0.000 18 47.00 CONFIG=d9 5s4f d9 5s L=3 ELIM= 105289.800 N= 4 E= 96209.800 E= -0.08274305 Z=1.0000 L=3.0000 STEP=-.1000 NUM= 6800 NSAVE= 6800 IRREG=0 IFITER=99 NNODES= 0 NUMR 6625 NUMS 6625 NUML 6771 RS 17.642 RL 3.000 P0 0.00000000 RSCALE 9.70873786 R 13.80000000 P0 0.00000000 RSCALE 9.42595909 R 13.70000000 P0 0.00000000 RSCALE 9.15141659 R 13.60000000 P0 0.00000000 RSCALE 8.88487048 R 13.40000000 P0 0.00000000 RSCALE 8.62608784 R 13.30000000 P0 0.00000000 RSCALE 8.37484257 R 13.10000000 P0 0.00000000 RSCALE 8.13091511 R 13.00000000 P0 0.00000000 RSCALE 7.89409234 R 12.80000000 P0 0.00000000 RSCALE 7.66416732 R 12.60000000 P0 0.00000000 RSCALE 7.44093915 R 12.40000000 P0 0.00000000 RSCALE 7.22421277 R 12.20000000 P0 0.00000000 RSCALE 7.01379880 R 12.00000000 P0 0.00000000 RSCALE 6.80951340 R 11.80000000 P0 0.00000000 RSCALE 6.61117806 R 11.60000000 P0 0.00000000 RSCALE 6.41861947 R 11.40000000 P0 0.00000000 RSCALE 6.23166939 R 11.10000000 P0 0.00000000 RSCALE 6.05016446 R 10.90000000 P0 0.00000000 RSCALE 5.87394608 R 10.60000000 P0 0.00000000 RSCALE 5.70286027 R 10.40000000 P0 0.00000000 RSCALE 5.53675754 R 10.10000000 P0 0.00000000 RSCALE 5.37549276 R 9.90000000 P0 0.00000000 RSCALE 5.21892501 R 9.70000000 P0 0.00000000 RSCALE 5.06691748 R 9.40000000 P0 0.00000000 RSCALE 4.91933736 R 9.20000000 P0 0.00000000 RSCALE 4.77605569 R 9.00000000 P0 0.00000000 RSCALE 4.63694727 R 8.80000000 P0 0.00000000 RSCALE 4.50189056 R 8.60000000 P0 0.00000000 RSCALE 4.37076753 R 8.40000000 P0 0.00000000 RSCALE 4.24346362 R 8.30000000 P0 0.00000000 RSCALE 4.11986760 R 8.10000000 P0 0.00000000 RSCALE 3.99987145 R 8.00000000 P0 0.00000000 RSCALE 3.88337034 R 7.90000000 P0 0.00000000 RSCALE 3.77026247 R 7.80000000 P0 0.00000000 RSCALE 3.66044900 R 7.70000000 P0 0.00000000 RSCALE 3.55383398 R 7.60000000 P0 0.00000000 RSCALE 3.45032425 R 7.60000000 P0 0.00000000 RSCALE 3.34982937 R 7.50000000 P0 0.00000000 RSCALE 3.25226152 R 7.50000000 P0 0.00000000 RSCALE 3.15753546 R 7.40000000 P0 0.00000000 RSCALE 3.06556841 R 7.40000000 P0 0.00000000 RSCALE 2.97628001 R 7.40000000 P0 0.00000000 RSCALE 2.88959224 R 7.40000000 P0 0.00000000 RSCALE 2.80542936 R 7.40000000 P0 0.00000000 RSCALE 2.72371782 R 7.40000000 P0 0.00000000 RSCALE 2.64438624 R 7.40000000 P0 0.00000000 RSCALE 2.56736528 R 7.40000000 P0 0.00000000 RSCALE 2.49258765 R 7.40000000 P0 0.00000000 RSCALE 2.41998801 R 7.40000000 P0 0.00000000 RSCALE 2.34950292 R 7.40000000 P0 0.00000000 RSCALE 2.28107080 R 7.40000000 P0 0.00000000 RSCALE 2.21463184 R 7.40000000 P0 0.00000000 RSCALE 2.15012800 R 7.40000000 P0 0.00000000 RSCALE 2.08750292 R 7.40000000 INWARD INTEGRATION STOPS AT 75 ORIGIN ~R**2 CNORM= 3.62093E-01 0.1000 4.228E-07 X 0.2000 1.691E-06 X 0.3000 3.805E-06 X 0.4000 6.765E-06 X 0.5000 1.057E-05 X 0.6000 1.522E-05 X 0.7000 2.072E-05 X 0.8000 2.706E-05 X 0.9000 3.425E-05 X 1.0000 4.228E-05 X 1.1000 5.116E-05 X 1.2000 6.088E-05 X 1.3000 7.145E-05 X 1.4000 8.287E-05 X 1.5000 9.513E-05 X 1.6000 1.082E-04 X 1.7000 1.222E-04 X 1.8000 1.370E-04 X 1.9000 1.526E-04 X 2.0000 1.691E-04 X 2.2000 2.046E-04 X 2.4000 2.435E-04 X 2.6000 2.858E-04 X 2.8000 3.315E-04 X 3.0000 3.805E-04 X 3.2000 4.329E-04 X 3.4000 4.888E-04 X 3.6000 5.479E-04 X 3.8000 6.105E-04 X 4.0000 6.765E-04 X 4.2000 7.458E-04 X 4.4000 8.185E-04 X 4.6000 8.946E-04 X 4.8000 9.741E-04 X 5.0000 1.057E-03 X 5.2000 1.143E-03 X 5.4000 1.233E-03 X 5.6000 1.326E-03 X 5.8000 1.422E-03 X 6.0000 1.522E-03 X 6.2000 1.625E-03 X 6.4000 1.732E-03 X 6.6000 1.842E-03 X 6.8000 1.955E-03 X 7.0000 2.072E-03 X 7.2000 2.192E-03 X 7.4000 2.315E-03 X 7.6000 5.214E-03 IX 7.8000 1.089E-02 I X 8.0000 1.658E-02 I X 8.2000 2.228E-02 I X 8.4000 2.799E-02 I X 8.6000 3.372E-02 I X 8.8000 3.947E-02 I X 9.0000 4.524E-02 I X 9.2000 5.102E-02 I X 9.4000 5.681E-02 I X 9.6000 6.262E-02 I X 9.8000 6.844E-02 I X 10.0000 7.427E-02 I X 10.4000 8.595E-02 I X 10.8000 9.765E-02 I X 11.2000 1.094E-01 I X 11.6000 1.211E-01 I X 12.0000 1.328E-01 I X 12.4000 1.444E-01 I X 12.8000 1.561E-01 I X 13.2000 1.678E-01 I X 13.6000 1.795E-01 I X 14.0000 1.911E-01 I X 14.4000 2.029E-01 I X 14.8000 2.146E-01 I X 15.2000 2.265E-01 I X 15.6000 2.385E-01 I X 16.0000 2.506E-01 I X 16.4000 2.629E-01 I X 16.8000 2.754E-01 I X 17.2000 2.882E-01 I X 17.6000 3.013E-01 I X 18.0000 3.121E-01 I X 18.4000 3.193E-01 I X 18.8000 3.230E-01 I X 19.2000 3.239E-01 I X 19.6000 3.222E-01 I X 20.0000 3.182E-01 I X 20.5000 3.107E-01 I X 21.0000 3.008E-01 I X 21.5000 2.892E-01 I X 22.0000 2.763E-01 I X 22.5000 2.625E-01 I X 23.0000 2.482E-01 I X 23.5000 2.337E-01 I X 24.0000 2.192E-01 I X 24.5000 2.049E-01 I X 25.0000 1.910E-01 I X 25.5000 1.775E-01 I X 26.0000 1.645E-01 I X 26.5000 1.522E-01 I X 27.0000 1.405E-01 I X 27.5000 1.295E-01 I X 28.0000 1.191E-01 I X 28.5000 1.094E-01 I X 29.0000 1.003E-01 I X 29.5000 9.192E-02 I X 30.0000 8.411E-02 I X 31.0000 7.020E-02 I X 32.0000 5.837E-02 I X 33.0000 4.838E-02 I X 34.0000 3.998E-02 I X 35.0000 3.295E-02 I X 36.0000 2.710E-02 I X 37.0000 2.223E-02 I X 38.0000 1.819E-02 I X 39.0000 1.486E-02 I X 40.0000 1.211E-02 I X 41.0000 9.857E-03 I X 42.0000 8.005E-03 IX 43.0000 6.490E-03 IX 44.0000 5.252E-03 IX 45.0000 4.244E-03 IX 46.0000 3.424E-03 IX 5f d9 5s d9 5s5f J 98664.9 90324.3 8500. 12. 5f d9 5s d9 5s5f J 98664.9 90324.3 8500. 12.000 0.000 0.000 0.000 19 47.00 CONFIG=d9 5s5f d9 5s L=3 ELIM= 105289.800 N= 5 E= 98664.900 E= -0.06037053 Z=1.0000 L=3.0000 STEP=-.1000 NUM= 8100 NSAVE= 8100 IRREG=0 IFITER=99 NNODES= 1 NUMR 7925 NUMS 7925 NUML 8071 RS 17.642 RL 3.000 P0 0.00000000 RSCALE 11.65048544 R 12.50000000 P0 0.00000000 RSCALE 11.31115091 R 12.40000000 P0 0.00000000 RSCALE 10.98169991 R 12.30000000 P0 0.00000000 RSCALE 10.66184457 R 12.10000000 P0 0.00000000 RSCALE 10.35130541 R 12.00000000 P0 0.00000000 RSCALE 10.04981108 R 11.80000000 P0 0.00000000 RSCALE 9.75709814 R 11.60000000 P0 0.00000000 RSCALE 9.47291081 R 11.50000000 P0 0.00000000 RSCALE 9.19700079 R 11.30000000 P0 0.00000000 RSCALE 8.92912698 R 11.10000000 P0 0.00000000 RSCALE 8.66905532 R 10.90000000 P0 0.00000000 RSCALE 8.41655856 R 10.70000000 P0 0.00000000 RSCALE 8.17141608 R 10.50000000 P0 0.00000000 RSCALE 7.93341367 R 10.40000000 P0 0.00000000 RSCALE 7.70234337 R 10.20000000 P0 0.00000000 RSCALE 7.47800327 R 10.00000000 P0 0.00000000 RSCALE 7.26019735 R 9.80000000 P0 0.00000000 RSCALE 7.04873529 R 9.50000000 P0 0.00000000 RSCALE 6.84343232 R 9.30000000 P0 0.00000000 RSCALE 6.64410905 R 9.10000000 P0 0.00000000 RSCALE 6.45059131 R 8.90000000 P0 0.00000000 RSCALE 6.26271001 R 8.70000000 P0 0.00000000 RSCALE 6.08030098 R 8.50000000 P0 0.00000000 RSCALE 5.90320484 R 8.30000000 P0 0.00000000 RSCALE 5.73126683 R 8.00000000 P0 0.00000000 RSCALE 5.56433673 R 7.80000000 P0 0.00000000 RSCALE 5.40226867 R 7.60000000 P0 0.00000000 RSCALE 5.24492104 R 7.40000000 P0 0.00000000 RSCALE 5.09215635 R 7.20000000 P0 0.00000000 RSCALE 4.94384111 R 6.95000000 P0 0.00000000 RSCALE 4.79984574 R 6.75000000 P0 0.00000000 RSCALE 4.66004441 R 6.55000000 P0 0.00000000 RSCALE 4.52431496 R 6.30000000 P0 0.00000000 RSCALE 4.39253880 R 6.10000000 P0 0.00000000 RSCALE 4.26460077 R 5.90000000 P0 0.00000000 RSCALE 4.14038910 R 5.65000000 P0 0.00000000 RSCALE 4.01979524 R 5.45000000 P0 0.00000000 RSCALE 3.90271383 R 5.25000000 P0 0.00000000 RSCALE 3.78904255 R 5.05000000 P0 0.00000000 RSCALE 3.67868209 R 4.85000000 P0 0.00000000 RSCALE 3.57153601 R 4.60000000 P0 0.00000000 RSCALE 3.46751069 R 4.40000000 P0 0.00000000 RSCALE 3.36651523 R 4.20000000 P0 0.00000000 RSCALE 3.26846139 R 4.00000000 P0 0.00000000 RSCALE 3.17326349 R 3.80000000 P0 0.00000000 RSCALE 3.08083834 R 3.60000000 P0 0.00000000 RSCALE 2.99110518 R 3.40000000 P0 0.00000000 RSCALE 2.90398561 R 3.20000000 P0 0.00000000 RSCALE 2.81940351 R 3.00000000 RMAX 2.81940351 RMIN -1.00000000 RSCALE 2.73728496 RMAX 2.73728496 RMIN -1.00000000 RSCALE 2.65755821 RMAX 2.65755821 RMIN -1.00000000 RSCALE 2.58015360 RMAX 2.58015360 RMIN -1.00000000 RSCALE 2.50500350 RMAX 2.50500350 RMIN -1.00000000 RSCALE 2.43204223 RMAX 2.43204223 RMIN -1.00000000 RSCALE 2.36120605 RMAX 2.36120605 RMIN -1.00000000 RSCALE 2.29243306 RMAX 2.29243306 RMIN -1.00000000 RSCALE 2.22566316 RMAX 2.22566316 RMIN -1.00000000 RSCALE 2.16083802 RMAX 2.16083802 RMIN -1.00000000 RSCALE 2.09790099 RMAX 2.09790099 RMIN -1.00000000 RSCALE 2.03679708 RMAX 2.03679708 RMIN -1.00000000 RSCALE 1.97747289 RMAX 1.97747289 RMIN -1.00000000 RSCALE 1.91987660 RMAX 1.91987660 RMIN -1.00000000 RSCALE 1.86395786 RMAX 1.86395786 RMIN -1.00000000 RSCALE 1.80966782 RMAX 1.80966782 RMIN -1.00000000 RSCALE 1.75695905 RMAX 1.75695905 RMIN -1.00000000 RSCALE 1.70578549 RMAX 1.70578549 RMIN -1.00000000 RSCALE 1.65610242 RMAX 1.65610242 RMIN -1.00000000 RSCALE 1.60786642 RMAX 1.60786642 RMIN -1.00000000 RSCALE 1.56103536 RMAX 1.56103536 RMIN -1.00000000 RSCALE 1.51556831 RMAX 1.51556831 RMIN -1.00000000 RSCALE 1.47142555 RMAX 1.47142555 RMIN -1.00000000 RSCALE 1.42856849 RMAX 1.42856849 RMIN -1.00000000 RSCALE 1.38695970 RMAX 1.38695970 RMIN -1.00000000 RSCALE 1.34656282 DEL -39.56989229 RSCALE 1.34656282 RMAX 1.35976201 RMIN -1.00000000 RSCALE 1.35316241 RMAX 1.35316241 RMIN -1.00000000 RSCALE 1.34986261 RMAX 1.34986261 RMIN -1.00000000 RSCALE 1.34821272 RMAX 1.34821272 RMIN -1.00000000 RSCALE 1.34738777 RMAX 1.34738777 RMIN -1.00000000 RSCALE 1.34697529 RMAX 1.34697529 RMIN -1.00000000 RSCALE 1.34676905 DEL -201.42058887 RSCALE 1.34676905 DEL -32.71911315 RSCALE 1.34651239 DEL -27.83729843 RSCALE 1.34646262 DEL -14.42054627 RSCALE 1.34617877 DEL -8.94798411 RSCALE 1.34587369 DEL -4.96787368 RSCALE 1.34537485 DEL -2.69049504 RSCALE 1.34475222 DEL -1.30201514 RSCALE 1.34401665 DEL -0.53068582 RSCALE 1.34332688 DEL -0.15554017 RSCALE 1.34285231 DEL -0.02503836 RSCALE 1.34265555 DEL -0.00139515 RSCALE 1.34261780 DEL -0.00001324 RSCALE 1.34261557 DEL -0.00000001 RSCALE 1.34261555 CNORM= 2.71441E+00 0.1000 2.549E-02 I X 0.2000 1.642E-01 I X 0.3000 3.715E-01 I X 0.4000 5.684E-01 I X 0.5000 7.161E-01 I X 0.6000 8.081E-01 I X 0.7000 8.520E-01 I X 0.8000 8.598E-01 I X 0.9000 8.427E-01 I X 1.0000 8.096E-01 I X 1.1000 7.672E-01 I X 1.2000 7.203E-01 I X 1.3000 6.719E-01 I X 1.4000 6.242E-01 I X 1.5000 5.783E-01 I X 1.6000 5.352E-01 I X 1.7000 4.950E-01 I X 1.8000 4.579E-01 I X 1.9000 4.239E-01 I X 2.0000 3.929E-01 I X 2.2000 3.391E-01 I X 2.4000 2.950E-01 I X 2.6000 2.588E-01 I X 2.8000 2.292E-01 I X 3.0000 2.049E-01 I X 3.2000 1.850E-01 I X 3.4000 1.686E-01 I X 3.6000 1.551E-01 I X 3.8000 1.440E-01 I X 4.0000 1.349E-01 I X 4.2000 1.273E-01 I X 4.4000 1.211E-01 I X 4.6000 1.159E-01 I X 4.8000 1.117E-01 I X 5.0000 1.082E-01 I X 5.2000 1.053E-01 I X 5.4000 1.029E-01 I X 5.6000 1.009E-01 I X 5.8000 9.926E-02 I X 6.0000 9.792E-02 I X 6.2000 9.681E-02 I X 6.4000 9.589E-02 I X 6.6000 9.514E-02 I X 6.8000 9.450E-02 I X 7.0000 9.397E-02 I X 7.2000 9.351E-02 I X 7.4000 9.310E-02 I X 7.6000 9.273E-02 I X 7.8000 9.238E-02 I X 8.0000 9.203E-02 I X 8.2000 9.167E-02 I X 8.4000 9.129E-02 I X 8.6000 9.089E-02 I X 8.8000 9.045E-02 I X 9.0000 8.997E-02 I X 9.2000 8.944E-02 I X 9.4000 8.885E-02 I X 9.6000 8.820E-02 I X 9.8000 8.750E-02 I X 10.0000 8.672E-02 I X 10.4000 8.497E-02 I X 10.8000 8.293E-02 I X 11.2000 8.060E-02 I X 11.6000 7.798E-02 I X 12.0000 7.508E-02 I X 12.4000 7.190E-02 I X 12.8000 6.846E-02 I X 13.2000 6.477E-02 I X 13.6000 6.085E-02 I X 14.0000 5.672E-02 I X 14.4000 5.239E-02 I X 14.8000 4.789E-02 I X 15.2000 4.324E-02 I X 15.6000 3.845E-02 I X 16.0000 3.355E-02 I X 16.4000 2.856E-02 I X 16.8000 2.349E-02 I X 17.2000 1.835E-02 IX 17.6000 1.317E-02 IX 18.0000 7.779E-03 X 18.4000 2.184E-03 X 18.8000 -3.464E-03 X 19.2000 -9.039E-03 XI 19.6000 -1.443E-02 XI 20.0000 -1.957E-02 XI 20.5000 -2.551E-02 X I 21.0000 -3.085E-02 X I 21.5000 -3.553E-02 X I 22.0000 -3.953E-02 X I 22.5000 -4.285E-02 X I 23.0000 -4.551E-02 X I 23.5000 -4.755E-02 X I 24.0000 -4.900E-02 X I 24.5000 -4.992E-02 X I 25.0000 -5.037E-02 X I 25.5000 -5.039E-02 X I 26.0000 -5.004E-02 X I 26.5000 -4.937E-02 X I 27.0000 -4.844E-02 X I 27.5000 -4.728E-02 X I 28.0000 -4.594E-02 X I 28.5000 -4.446E-02 X I 29.0000 -4.287E-02 X I 29.5000 -4.120E-02 X I 30.0000 -3.947E-02 X I 31.0000 -3.595E-02 X I 32.0000 -3.244E-02 X I 33.0000 -2.904E-02 X I 34.0000 -2.584E-02 X I 35.0000 -2.286E-02 XI 36.0000 -2.012E-02 XI 37.0000 -1.764E-02 XI 38.0000 -1.541E-02 XI 39.0000 -1.341E-02 XI 40.0000 -1.164E-02 XI 41.0000 -1.008E-02 XI 42.0000 -8.702E-03 XI 6f d9 5s d9 5s6f K 99932.5 91689.7 8500. 6f d9 5s d9 5s6f K 99932.5 91689.7 8500. 0.000 0.000 0.000 0.000 20 47.00 CONFIG=d9 5s6f d9 5s L=3 ELIM= 105289.800 N= 6 E= 99932.500 E= -0.04881931 Z=1.0000 L=3.0000 STEP=-.1000 NUM= 9100 NSAVE= 9100 IRREG=0 IFITER=99 NNODES= 2 NUMR 8960 NUMS 8960 NUML 9071 RS 14.114 RL 3.000 RMAX 3.00000000 RMIN -1.00000000 RSCALE 2.91262136 RMAX 2.91262136 RMIN -1.00000000 RSCALE 2.82778773 RMAX 2.82778773 RMIN -1.00000000 RSCALE 2.74542498 RMAX 2.74542498 RMIN -1.00000000 RSCALE 2.66546114 RMAX 2.66546114 RMIN -1.00000000 RSCALE 2.58782635 RMAX 2.58782635 RMIN -1.00000000 RSCALE 2.51245277 RMAX 2.51245277 RMIN -1.00000000 RSCALE 2.43927453 RMAX 2.43927453 RMIN -1.00000000 RSCALE 2.36822770 RMAX 2.36822770 RMIN -1.00000000 RSCALE 2.29925020 RMAX 2.29925020 RMIN -1.00000000 RSCALE 2.23228174 RMAX 2.23228174 RMIN -1.00000000 RSCALE 2.16726383 RMAX 2.16726383 RMIN -1.00000000 RSCALE 2.10413964 RMAX 2.10413964 RMIN -1.00000000 RSCALE 2.04285402 RMAX 2.04285402 RMIN -1.00000000 RSCALE 1.98335342 RMAX 1.98335342 RMIN -1.00000000 RSCALE 1.92558584 RMAX 1.92558584 RMIN -1.00000000 RSCALE 1.86950082 RMAX 1.86950082 RMIN -1.00000000 RSCALE 1.81504934 DEL 26.35051155 RSCALE 1.81504934 DEL 5.77747835 RSCALE 1.79743068 DEL 4.25527484 RSCALE 1.79248287 DEL 1.81082885 RSCALE 1.77865142 DEL 0.80790760 RSCALE 1.76840518 DEL 0.24305741 RSCALE 1.76015128 DEL 0.04454826 RSCALE 1.75659959 DEL 0.00298978 RSCALE 1.75580254 DEL 0.00003948 RSCALE 1.75574520 DEL 0.00000004 RSCALE 1.75574443 DEL 0.00000000 RSCALE 1.75574443 CNORM= 1.33492E+00 0.1000 1.517E-02 I X 0.2000 8.865E-02 I X 0.3000 1.725E-01 I X 0.4000 2.136E-01 I X 0.5000 1.996E-01 I X 0.6000 1.429E-01 I X 0.7000 6.172E-02 I X 0.8000 -2.793E-02 X I 0.9000 -1.151E-01 X I 1.0000 -1.935E-01 X I 1.1000 -2.600E-01 X I 1.2000 -3.138E-01 X I 1.3000 -3.555E-01 X I 1.4000 -3.864E-01 X I 1.5000 -4.078E-01 X I 1.6000 -4.214E-01 X I 1.7000 -4.285E-01 X I 1.8000 -4.305E-01 X I 1.9000 -4.285E-01 X I 2.0000 -4.233E-01 X I 2.2000 -4.068E-01 X I 2.4000 -3.856E-01 X I 2.6000 -3.625E-01 X I 2.8000 -3.394E-01 X I 3.0000 -3.173E-01 X I 3.2000 -2.967E-01 X I 3.4000 -2.780E-01 X I 3.6000 -2.610E-01 X I 3.8000 -2.459E-01 X I 4.0000 -2.324E-01 X I 4.2000 -2.205E-01 X I 4.4000 -2.100E-01 X I 4.6000 -2.007E-01 X I 4.8000 -1.924E-01 X I 5.0000 -1.851E-01 X I 5.2000 -1.786E-01 X I 5.4000 -1.728E-01 X I 5.6000 -1.675E-01 X I 5.8000 -1.628E-01 X I 6.0000 -1.584E-01 X I 6.2000 -1.543E-01 X I 6.4000 -1.505E-01 X I 6.6000 -1.469E-01 X I 6.8000 -1.433E-01 X I 7.0000 -1.399E-01 X I 7.2000 -1.365E-01 X I 7.4000 -1.331E-01 X I 7.6000 -1.297E-01 X I 7.8000 -1.263E-01 X I 8.0000 -1.228E-01 X I 8.2000 -1.193E-01 X I 8.4000 -1.156E-01 X I 8.6000 -1.119E-01 X I 8.8000 -1.081E-01 X I 9.0000 -1.042E-01 X I 9.2000 -1.002E-01 X I 9.4000 -9.606E-02 X I 9.6000 -9.183E-02 X I 9.8000 -8.749E-02 X I 10.0000 -8.304E-02 X I 10.4000 -7.384E-02 X I 10.8000 -6.425E-02 X I 11.2000 -5.433E-02 X I 11.6000 -4.410E-02 X I 12.0000 -3.364E-02 X I 12.4000 -2.298E-02 X I 12.8000 -1.220E-02 X I 13.2000 -1.359E-03 X 13.6000 9.493E-03 IX 14.0000 2.030E-02 I X 14.4000 3.099E-02 I X 14.8000 4.153E-02 I X 15.2000 5.186E-02 I X 15.6000 6.193E-02 I X 16.0000 7.170E-02 I X 16.4000 8.114E-02 I X 16.8000 9.021E-02 I X 17.2000 9.888E-02 I X 17.6000 1.071E-01 I X 18.0000 1.149E-01 I X 18.4000 1.223E-01 I X 18.8000 1.291E-01 I X 19.2000 1.355E-01 I X 19.6000 1.413E-01 I X 20.0000 1.467E-01 I X 20.5000 1.528E-01 I X 21.0000 1.580E-01 I X 21.5000 1.625E-01 I X 22.0000 1.663E-01 I X 22.5000 1.693E-01 I X 23.0000 1.716E-01 I X 23.5000 1.733E-01 I X 24.0000 1.744E-01 I X 24.5000 1.748E-01 I X 25.0000 1.747E-01 I X 25.5000 1.741E-01 I X 26.0000 1.730E-01 I X 26.5000 1.714E-01 I X 27.0000 1.694E-01 I X 27.5000 1.671E-01 I X 28.0000 1.644E-01 I X 28.5000 1.614E-01 I X 29.0000 1.582E-01 I X 29.5000 1.547E-01 I X 30.0000 1.510E-01 I X 31.0000 1.432E-01 I X 32.0000 1.348E-01 I X 33.0000 1.263E-01 I X 34.0000 1.176E-01 I X 35.0000 1.090E-01 I X 36.0000 1.005E-01 I X 37.0000 9.228E-02 I X 38.0000 8.438E-02 I X 39.0000 7.686E-02 I X 40.0000 6.976E-02 I X 41.0000 6.310E-02 I X 42.0000 5.689E-02 I X 43.0000 5.113E-02 I X 44.0000 4.583E-02 I X 45.0000 4.096E-02 I X 46.0000 3.651E-02 I X 47.0000 3.247E-02 I X 48.0000 2.880E-02 I X 49.0000 2.550E-02 I X 50.0000 2.252E-02 I X 51.0000 1.985E-02 I X 52.0000 1.746E-02 I X 53.0000 1.533E-02 I X 54.0000 1.343E-02 I X 55.0000 1.175E-02 I X 56.0000 1.027E-02 IX 57.0000 8.951E-03 IX 58.0000 7.793E-03 IX 59.0000 6.775E-03 IX 60.0000 5.881E-03 IX 62.0000 4.414E-03 IX 7f d9 5s d9 5s7f L 100840.9 92513.1 8500. 7f d9 5s d9 5s7f L 100840.9 92513.1 8500. 0.000 0.000 0.000 0.000 21 47.00 CONFIG=d9 5s7f d9 5s L=3 ELIM= 105289.800 N= 7 E= 100840.900 E= -0.04054136 Z=1.0000 L=3.0000 STEP=-.1000 NUM= 10100 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 3 NUMR 9960 NUMS 9960 NUML10071 RS 14.114 RL 3.000 RMAX 3.00000000 RMIN -1.00000000 RSCALE 2.91262136 RMAX 2.91262136 RMIN -1.00000000 RSCALE 2.82778773 RMAX 2.82778773 RMIN -1.00000000 RSCALE 2.74542498 RMAX 2.74542498 RMIN -1.00000000 RSCALE 2.66546114 RMAX 2.66546114 RMIN -1.00000000 RSCALE 2.58782635 RMAX 2.58782635 RMIN -1.00000000 RSCALE 2.51245277 RMAX 2.51245277 RMIN -1.00000000 RSCALE 2.43927453 RMAX 2.43927453 RMIN -1.00000000 RSCALE 2.36822770 RMAX 2.36822770 RMIN -1.00000000 RSCALE 2.29925020 RMAX 2.29925020 RMIN -1.00000000 RSCALE 2.23228174 DEL -0.97511887 RSCALE 2.23228174 RMAX 2.25416287 RMIN -1.00000000 RSCALE 2.24322231 DEL -0.99218266 RSCALE 2.24322231 DEL -0.95543665 RSCALE 2.22144738 DEL -0.90780546 RSCALE 2.19988383 DEL -0.84891763 RSCALE 2.17852959 DEL -0.77797830 RSCALE 2.15738263 DEL -0.69373971 RSCALE 2.13644095 DEL -0.59442001 RSCALE 2.11570255 DEL -0.47759577 RSCALE 2.09516546 DEL -0.33996293 RSCALE 2.07482772 DEL -0.17707110 RSCALE 2.05468740 DEL 0.01718853 RSCALE 2.03474258 DEL -0.00154505 RSCALE 2.03650734 DEL -0.00001228 RSCALE 2.03636179 DEL 0.00000001 RSCALE 2.03636063 CNORM= 1.00569E+00 0.1000 7.552E-04 X 0.2000 4.195E-03 IX 0.3000 7.495E-03 I X 0.4000 8.065E-03 I X 0.5000 5.799E-03 IX 0.6000 1.829E-03 X 0.7000 -2.598E-03 XI 0.8000 -6.585E-03 X I 0.9000 -9.638E-03 X I 1.0000 -1.158E-02 X I 1.1000 -1.244E-02 X I 1.2000 -1.236E-02 X I 1.3000 -1.149E-02 X I 1.4000 -1.003E-02 X I 1.5000 -8.144E-03 X I 1.6000 -5.965E-03 X I 1.7000 -3.607E-03 XI 1.8000 -1.158E-03 X 1.9000 1.316E-03 X 2.0000 3.769E-03 IX 2.2000 8.493E-03 I X 2.4000 1.288E-02 I X 2.6000 1.690E-02 I X 2.8000 2.059E-02 I X 3.0000 2.401E-02 I X 3.2000 2.721E-02 I X 3.4000 3.027E-02 I X 3.6000 3.324E-02 I X 3.8000 3.618E-02 I X 4.0000 3.911E-02 I X 4.2000 4.209E-02 I X 4.4000 4.512E-02 I X 4.6000 4.824E-02 I X 4.8000 5.146E-02 I X 5.0000 5.479E-02 I X 5.2000 5.823E-02 I X 5.4000 6.178E-02 I X 5.6000 6.545E-02 I X 5.8000 6.922E-02 I X 6.0000 7.309E-02 I X 6.2000 7.704E-02 I X 6.4000 8.106E-02 I X 6.6000 8.514E-02 I X 6.8000 8.926E-02 I X 7.0000 9.340E-02 I X 7.2000 9.753E-02 I X 7.4000 1.016E-01 I X 7.6000 1.057E-01 I X 7.8000 1.097E-01 I X 8.0000 1.137E-01 I X 8.2000 1.175E-01 I X 8.4000 1.212E-01 I X 8.6000 1.248E-01 I X 8.8000 1.282E-01 I X 9.0000 1.315E-01 I X 9.2000 1.345E-01 I X 9.4000 1.374E-01 I X 9.6000 1.401E-01 I X 9.8000 1.426E-01 I X 10.0000 1.449E-01 I X 10.4000 1.487E-01 I X 10.8000 1.516E-01 I X 11.2000 1.535E-01 I X 11.6000 1.543E-01 I X 12.0000 1.541E-01 I X 12.4000 1.528E-01 I X 12.8000 1.505E-01 I X 13.2000 1.471E-01 I X 13.6000 1.428E-01 I X 14.0000 1.375E-01 I X 14.4000 1.313E-01 I X 14.8000 1.242E-01 I X 15.2000 1.164E-01 I X 15.6000 1.079E-01 I X 16.0000 9.863E-02 I X 16.4000 8.881E-02 I X 16.8000 7.847E-02 I X 17.2000 6.768E-02 I X 17.6000 5.651E-02 I X 18.0000 4.503E-02 I X 18.4000 3.330E-02 I X 18.8000 2.140E-02 I X 19.2000 9.396E-03 I X 19.6000 -2.660E-03 XI 20.0000 -1.470E-02 X I 20.5000 -2.965E-02 X I 21.0000 -4.439E-02 X I 21.5000 -5.883E-02 X I 22.0000 -7.287E-02 X I 22.5000 -8.645E-02 X I 23.0000 -9.950E-02 X I 23.5000 -1.120E-01 X I 24.0000 -1.238E-01 X I 24.5000 -1.349E-01 X I 25.0000 -1.454E-01 X I 25.5000 -1.551E-01 X I 26.0000 -1.640E-01 X I 26.5000 -1.722E-01 X I 27.0000 -1.796E-01 X I 27.5000 -1.862E-01 X I 28.0000 -1.921E-01 X I 28.5000 -1.973E-01 X I 29.0000 -2.017E-01 X I 29.5000 -2.054E-01 X I 30.0000 -2.084E-01 X I 31.0000 -2.124E-01 X I 32.0000 -2.140E-01 X I 33.0000 -2.134E-01 X I 34.0000 -2.109E-01 X I 35.0000 -2.067E-01 X I 36.0000 -2.011E-01 X I 37.0000 -1.943E-01 X I 38.0000 -1.866E-01 X I 39.0000 -1.782E-01 X I 40.0000 -1.693E-01 X I 41.0000 -1.601E-01 X I 42.0000 -1.507E-01 X I 43.0000 -1.412E-01 X I 44.0000 -1.319E-01 X I 45.0000 -1.226E-01 X I 46.0000 -1.137E-01 X I 47.0000 -1.050E-01 X I 48.0000 -9.672E-02 X I 49.0000 -8.881E-02 X I 50.0000 -8.133E-02 X I 51.0000 -7.427E-02 X I 52.0000 -6.766E-02 X I 53.0000 -6.149E-02 X I 54.0000 -5.575E-02 X I 55.0000 -5.044E-02 X I 56.0000 -4.554E-02 X I 57.0000 -4.103E-02 X I 58.0000 -3.689E-02 X I 59.0000 -3.312E-02 X I 60.0000 -2.967E-02 X I 62.0000 -2.370E-02 X I 64.0000 -1.881E-02 X I 66.0000 -1.484E-02 X I 68.0000 -1.165E-02 X I 70.0000 -9.096E-03 X I 72.0000 -7.067E-03 X I 74.0000 -5.467E-03 XI 76.0000 -4.211E-03 XI 78.0000 -3.231E-03 XI 80.0000 -2.469E-03 XI 8f d9 5s d9 5s8f M 101376.9 93047.0 8500. 8f d9 5s d9 5s8f M 101376.9 93047.0 8500. 0.000 0.000 0.000 0.000 22 47.00 CONFIG=d9 5s8f d9 5s L=3 ELIM= 105289.800 N= 8 E= 101376.900 E= -0.03565697 Z=1.0000 L=3.0000 STEP=-.1000 NUM= 10900 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 4 NUMR10760 NUMS10760 NUML10871 RS 14.114 RL 3.000 RMAX 3.00000000 RMIN -1.00000000 RSCALE 2.91262136 RMAX 2.91262136 RMIN -1.00000000 RSCALE 2.82778773 RMAX 2.82778773 RMIN -1.00000000 RSCALE 2.74542498 RMAX 2.74542498 RMIN -1.00000000 RSCALE 2.66546114 RMAX 2.66546114 RMIN -1.00000000 RSCALE 2.58782635 RMAX 2.58782635 RMIN -1.00000000 RSCALE 2.51245277 RMAX 2.51245277 RMIN -1.00000000 RSCALE 2.43927453 RMAX 2.43927453 RMIN -1.00000000 RSCALE 2.36822770 RMAX 2.36822770 RMIN -1.00000000 RSCALE 2.29925020 RMAX 2.29925020 RMIN -1.00000000 RSCALE 2.23228174 DEL -0.21478455 RSCALE 2.23228174 RMAX 2.25416287 RMIN -1.00000000 RSCALE 2.24322231 DEL -0.80214948 RSCALE 2.24322231 DEL 0.05097510 RSCALE 2.22828106 DEL -0.01125851 RSCALE 2.22917381 DEL -0.00013158 RSCALE 2.22901231 DEL 0.00000034 RSCALE 2.22901040 DEL 0.00000000 RSCALE 2.22901040 CNORM= 1.02044E+00 0.1000 5.562E-03 I X 0.2000 3.000E-02 I X 0.3000 5.085E-02 I X 0.4000 4.973E-02 I X 0.5000 2.828E-02 I X 0.6000 -2.920E-03 XI 0.7000 -3.367E-02 X I 0.8000 -5.746E-02 X I 0.9000 -7.149E-02 X I 1.0000 -7.558E-02 X I 1.1000 -7.103E-02 X I 1.2000 -5.977E-02 X I 1.3000 -4.379E-02 X I 1.4000 -2.493E-02 X I 1.5000 -4.666E-03 XI 1.6000 1.584E-02 I X 1.7000 3.575E-02 I X 1.8000 5.448E-02 I X 1.9000 7.168E-02 I X 2.0000 8.715E-02 I X 2.2000 1.127E-01 I X 2.4000 1.313E-01 I X 2.6000 1.439E-01 I X 2.8000 1.517E-01 I X 3.0000 1.556E-01 I X 3.2000 1.565E-01 I X 3.4000 1.552E-01 I X 3.6000 1.524E-01 I X 3.8000 1.484E-01 I X 4.0000 1.436E-01 I X 4.2000 1.383E-01 I X 4.4000 1.327E-01 I X 4.6000 1.269E-01 I X 4.8000 1.210E-01 I X 5.0000 1.150E-01 I X 5.2000 1.090E-01 I X 5.4000 1.031E-01 I X 5.6000 9.714E-02 I X 5.8000 9.125E-02 I X 6.0000 8.539E-02 I X 6.2000 7.956E-02 I X 6.4000 7.374E-02 I X 6.6000 6.792E-02 I X 6.8000 6.210E-02 I X 7.0000 5.626E-02 I X 7.2000 5.041E-02 I X 7.4000 4.453E-02 I X 7.6000 3.863E-02 I X 7.8000 3.269E-02 I X 8.0000 2.672E-02 I X 8.2000 2.072E-02 I X 8.4000 1.470E-02 I X 8.6000 8.664E-03 I X 8.8000 2.612E-03 IX 9.0000 -3.444E-03 XI 9.2000 -9.494E-03 X I 9.4000 -1.553E-02 X I 9.6000 -2.154E-02 X I 9.8000 -2.751E-02 X I 10.0000 -3.344E-02 X I 10.4000 -4.510E-02 X I 10.8000 -5.643E-02 X I 11.2000 -6.734E-02 X I 11.6000 -7.774E-02 X I 12.0000 -8.755E-02 X I 12.4000 -9.669E-02 X I 12.8000 -1.051E-01 X I 13.2000 -1.127E-01 X I 13.6000 -1.195E-01 X I 14.0000 -1.254E-01 X I 14.4000 -1.303E-01 X I 14.8000 -1.343E-01 X I 15.2000 -1.374E-01 X I 15.6000 -1.395E-01 X I 16.0000 -1.406E-01 X I 16.4000 -1.407E-01 X I 16.8000 -1.400E-01 X I 17.2000 -1.383E-01 X I 17.6000 -1.357E-01 X I 18.0000 -1.323E-01 X I 18.4000 -1.280E-01 X I 18.8000 -1.230E-01 X I 19.2000 -1.173E-01 X I 19.6000 -1.109E-01 X I 20.0000 -1.039E-01 X I 20.5000 -9.429E-02 X I 21.0000 -8.392E-02 X I 21.5000 -7.287E-02 X I 22.0000 -6.125E-02 X I 22.5000 -4.916E-02 X I 23.0000 -3.671E-02 X I 23.5000 -2.400E-02 X I 24.0000 -1.112E-02 X I 24.5000 1.832E-03 IX 25.0000 1.478E-02 I X 25.5000 2.763E-02 I X 26.0000 4.031E-02 I X 26.5000 5.276E-02 I X 27.0000 6.490E-02 I X 27.5000 7.670E-02 I X 28.0000 8.808E-02 I X 28.5000 9.902E-02 I X 29.0000 1.095E-01 I X 29.5000 1.194E-01 I X 30.0000 1.288E-01 I X 31.0000 1.458E-01 I X 32.0000 1.605E-01 I X 33.0000 1.727E-01 I X 34.0000 1.825E-01 I X 35.0000 1.900E-01 I X 36.0000 1.953E-01 I X 37.0000 1.985E-01 I X 38.0000 1.998E-01 I X 39.0000 1.994E-01 I X 40.0000 1.974E-01 I X 41.0000 1.941E-01 I X 42.0000 1.896E-01 I X 43.0000 1.841E-01 I X 44.0000 1.778E-01 I X 45.0000 1.709E-01 I X 46.0000 1.635E-01 I X 47.0000 1.558E-01 I X 48.0000 1.478E-01 I X 49.0000 1.397E-01 I X 50.0000 1.315E-01 I X 51.0000 1.235E-01 I X 52.0000 1.155E-01 I X 53.0000 1.078E-01 I X 54.0000 1.003E-01 I X 55.0000 9.302E-02 I X 56.0000 8.608E-02 I X 57.0000 7.946E-02 I X 58.0000 7.318E-02 I X 59.0000 6.725E-02 I X 60.0000 6.166E-02 I X 62.0000 5.154E-02 I X 64.0000 4.275E-02 I X 66.0000 3.522E-02 I X 68.0000 2.883E-02 I X 70.0000 2.346E-02 I X 72.0000 1.898E-02 I X 74.0000 1.528E-02 I X 76.0000 1.224E-02 I X 78.0000 9.759E-03 I X 80.0000 7.749E-03 I X 82.0000 6.127E-03 I X 84.0000 4.827E-03 IX 86.0000 3.788E-03 IX 88.0000 2.963E-03 IX 90.0000 2.310E-03 IX 9f d9 5s d9 5s9f N 101748.6 93412.9 8500. 9f d9 5s d9 5s9f N 101748.6 93412.9 8500. 0.000 0.000 0.000 0.000 23 47.00 CONFIG=d9 5s9f d9 5s L=3 ELIM= 105289.800 N= 9 E= 101748.600 E= -0.03226979 Z=1.0000 L=3.0000 STEP=-.1000 NUM= 11500 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 5 NUMR11360 NUMS11360 NUML11471 RS 14.114 RL 3.000 RMAX 3.00000000 RMIN -1.00000000 RSCALE 2.91262136 DEL 0.97926314 RSCALE 2.91262136 DEL 0.91254235 RSCALE 2.88434859 DEL 0.82922461 RSCALE 2.85635026 DEL 0.72521112 RSCALE 2.82862371 DEL 0.59434346 RSCALE 2.80116630 DEL 0.42710387 RSCALE 2.77397542 DEL 0.20812670 RSCALE 2.74704849 DEL -0.07492136 RSCALE 2.72145580 DEL 0.00917118 RSCALE 2.72823005 DEL 0.00036109 RSCALE 2.72749125 DEL -0.00000181 RSCALE 2.72746097 DEL 0.00000000 RSCALE 2.72746112 CNORM= 1.01643E+00 0.1000 4.125E-03 IX 0.2000 2.092E-02 I X 0.3000 3.151E-02 I X 0.4000 2.396E-02 I X 0.5000 3.614E-03 IX 0.6000 -1.864E-02 X I 0.7000 -3.461E-02 X I 0.8000 -4.081E-02 X I 0.9000 -3.746E-02 X I 1.0000 -2.680E-02 X I 1.1000 -1.173E-02 X I 1.2000 4.996E-03 IX 1.3000 2.120E-02 I X 1.4000 3.536E-02 I X 1.5000 4.656E-02 I X 1.6000 5.439E-02 I X 1.7000 5.880E-02 I X 1.8000 5.999E-02 I X 1.9000 5.831E-02 I X 2.0000 5.418E-02 I X 2.2000 4.035E-02 I X 2.4000 2.180E-02 I X 2.6000 1.215E-03 X 2.8000 -1.952E-02 X I 3.0000 -3.917E-02 X I 3.2000 -5.703E-02 X I 3.4000 -7.277E-02 X I 3.6000 -8.630E-02 X I 3.8000 -9.768E-02 X I 4.0000 -1.071E-01 X I 4.2000 -1.147E-01 X I 4.4000 -1.207E-01 X I 4.6000 -1.253E-01 X I 4.8000 -1.287E-01 X I 5.0000 -1.311E-01 X I 5.2000 -1.326E-01 X I 5.4000 -1.334E-01 X I 5.6000 -1.335E-01 X I 5.8000 -1.331E-01 X I 6.0000 -1.323E-01 X I 6.2000 -1.311E-01 X I 6.4000 -1.295E-01 X I 6.6000 -1.276E-01 X I 6.8000 -1.254E-01 X I 7.0000 -1.230E-01 X I 7.2000 -1.204E-01 X I 7.4000 -1.176E-01 X I 7.6000 -1.146E-01 X I 7.8000 -1.114E-01 X I 8.0000 -1.080E-01 X I 8.2000 -1.045E-01 X I 8.4000 -1.008E-01 X I 8.6000 -9.691E-02 X I 8.8000 -9.289E-02 X I 9.0000 -8.871E-02 X I 9.2000 -8.438E-02 X I 9.4000 -7.990E-02 X I 9.6000 -7.528E-02 X I 9.8000 -7.053E-02 X I 10.0000 -6.564E-02 X I 10.4000 -5.549E-02 X I 10.8000 -4.491E-02 X I 11.2000 -3.397E-02 X I 11.6000 -2.275E-02 X I 12.0000 -1.135E-02 X I 12.4000 1.386E-04 X 12.8000 1.163E-02 I X 13.2000 2.303E-02 I X 13.6000 3.424E-02 I X 14.0000 4.518E-02 I X 14.4000 5.576E-02 I X 14.8000 6.591E-02 I X 15.2000 7.555E-02 I X 15.6000 8.462E-02 I X 16.0000 9.306E-02 I X 16.4000 1.008E-01 I X 16.8000 1.079E-01 I X 17.2000 1.141E-01 I X 17.6000 1.196E-01 I X 18.0000 1.243E-01 I X 18.4000 1.281E-01 I X 18.8000 1.311E-01 I X 19.2000 1.332E-01 I X 19.6000 1.345E-01 I X 20.0000 1.350E-01 I X 20.5000 1.345E-01 I X 21.0000 1.327E-01 I X 21.5000 1.297E-01 I X 22.0000 1.256E-01 I X 22.5000 1.205E-01 I X 23.0000 1.143E-01 I X 23.5000 1.073E-01 I X 24.0000 9.940E-02 I X 24.5000 9.075E-02 I X 25.0000 8.144E-02 I X 25.5000 7.155E-02 I X 26.0000 6.117E-02 I X 26.5000 5.037E-02 I X 27.0000 3.924E-02 I X 27.5000 2.787E-02 I X 28.0000 1.632E-02 I X 28.5000 4.677E-03 IX 29.0000 -6.995E-03 X I 29.5000 -1.863E-02 X I 30.0000 -3.016E-02 X I 31.0000 -5.270E-02 X I 32.0000 -7.420E-02 X I 33.0000 -9.433E-02 X I 34.0000 -1.128E-01 X I 35.0000 -1.295E-01 X I 36.0000 -1.443E-01 X I 37.0000 -1.570E-01 X I 38.0000 -1.677E-01 X I 39.0000 -1.763E-01 X I 40.0000 -1.830E-01 X I 41.0000 -1.879E-01 X I 42.0000 -1.909E-01 X I 43.0000 -1.924E-01 X I 44.0000 -1.923E-01 X I 45.0000 -1.909E-01 X I 46.0000 -1.883E-01 X I 47.0000 -1.847E-01 X I 48.0000 -1.802E-01 X I 49.0000 -1.749E-01 X I 50.0000 -1.690E-01 X I 51.0000 -1.626E-01 X I 52.0000 -1.558E-01 X I 53.0000 -1.488E-01 X I 54.0000 -1.416E-01 X I 55.0000 -1.342E-01 X I 56.0000 -1.269E-01 X I 57.0000 -1.196E-01 X I 58.0000 -1.124E-01 X I 59.0000 -1.054E-01 X I 60.0000 -9.852E-02 X I 62.0000 -8.552E-02 X I 64.0000 -7.358E-02 X I 66.0000 -6.281E-02 X I 68.0000 -5.321E-02 X I 70.0000 -4.477E-02 X I 72.0000 -3.743E-02 X I 74.0000 -3.111E-02 X I 76.0000 -2.572E-02 X I 78.0000 -2.115E-02 X I 80.0000 -1.730E-02 X I 82.0000 -1.410E-02 X I 84.0000 -1.143E-02 X I 86.0000 -9.237E-03 X I 88.0000 -7.433E-03 X I 90.0000 -5.960E-03 X I 92.0000 -4.762E-03 XI 94.0000 -3.793E-03 XI 96.0000 -3.012E-03 XI 98.0000 -2.384E-03 XI 4d d7s2 4f d8s2 4f O 163713.8 152213.8 FIXEDHF 11500. HF8. 4d d7s2 4f d8s2 4f O 163713.8 152213.8 FIXEDHF 11500. HF 8.000 0.000 0.000 0.000 24 47.00 CONFIG=d8s2 4f d7s2 4f L=2 ELIM= 367427.500 N= 4 E= 152213.800HF E= -1.96117164 Z=1.0000 L=2.0000 STEP=-.1000 NUM= 1400 NSAVE= 1400 IRREG=0 IFITER=99 NNODES= 1 NUMR 1225 NUMS 1225 NUML 1386 RS 17.642 RL 1.500 P0 0.00000000 RSCALE 7.76699029 R 2.52500000 P0 0.00000000 RSCALE 7.54076727 R 2.45000000 P0 0.00000000 RSCALE 7.32113327 R 2.35000000 P0 0.00000000 RSCALE 7.10789638 R 2.30000000 P0 0.00000000 RSCALE 6.90087028 R 2.25000000 P0 0.00000000 RSCALE 6.69987405 R 2.15000000 P0 0.00000000 RSCALE 6.50473209 R 2.10000000 P0 0.00000000 RSCALE 6.31527387 R 2.05000000 P0 0.00000000 RSCALE 6.13133386 R 1.95000000 P0 0.00000000 RSCALE 5.95275132 R 1.90000000 P0 0.00000000 RSCALE 5.77937021 R 1.85000000 P0 0.00000000 RSCALE 5.61103904 R 1.80000000 P0 0.00000000 RSCALE 5.44761072 R 1.75000000 P0 0.00000000 RSCALE 5.28894245 R 1.70000000 P0 0.00000000 RSCALE 5.13489558 R 1.60000000 P0 0.00000000 RSCALE 4.98533551 R 1.57500000 P0 0.00000000 RSCALE 4.84013157 R 1.50000000 RMAX 4.84013157 RMIN -1.00000000 RSCALE 4.69915686 RMAX 4.69915686 RMIN -1.00000000 RSCALE 4.56228821 RMAX 4.56228821 RMIN -1.00000000 RSCALE 4.42940603 RMAX 4.42940603 RMIN -1.00000000 RSCALE 4.30039421 RMAX 4.30039421 RMIN -1.00000000 RSCALE 4.17514001 RMAX 4.17514001 RMIN -1.00000000 RSCALE 4.05353399 RMAX 4.05353399 RMIN -1.00000000 RSCALE 3.93546989 RMAX 3.93546989 RMIN -1.00000000 RSCALE 3.82084455 RMAX 3.82084455 RMIN -1.00000000 RSCALE 3.70955782 RMAX 3.70955782 RMIN -1.00000000 RSCALE 3.60151245 RMAX 3.60151245 RMIN -1.00000000 RSCALE 3.49661403 RMAX 3.49661403 RMIN -1.00000000 RSCALE 3.39477090 RMAX 3.39477090 RMIN -1.00000000 RSCALE 3.29589408 RMAX 3.29589408 RMIN -1.00000000 RSCALE 3.19989716 RMAX 3.19989716 RMIN -1.00000000 RSCALE 3.10669627 RMAX 3.10669627 RMIN -1.00000000 RSCALE 3.01620997 RMAX 3.01620997 RMIN -1.00000000 RSCALE 2.92835920 RMAX 2.92835920 RMIN -1.00000000 RSCALE 2.84306718 RMAX 2.84306718 RMIN -1.00000000 RSCALE 2.76025940 RMAX 2.76025940 RMIN -1.00000000 RSCALE 2.67986350 RMAX 2.67986350 RMIN -1.00000000 RSCALE 2.60180922 RMAX 2.60180922 RMIN -1.00000000 RSCALE 2.52602837 RMAX 2.52602837 RMIN -1.00000000 RSCALE 2.45245473 RMAX 2.45245473 RMIN -1.00000000 RSCALE 2.38102401 RMAX 2.38102401 RMIN -1.00000000 RSCALE 2.31167379 RMAX 2.31167379 RMIN -1.00000000 RSCALE 2.24434349 RMAX 2.24434349 RMIN -1.00000000 RSCALE 2.17897426 RMAX 2.17897426 RMIN -1.00000000 RSCALE 2.11550899 RMAX 2.11550899 RMIN -1.00000000 RSCALE 2.05389222 RMAX 2.05389222 RMIN -1.00000000 RSCALE 1.99407012 RMAX 1.99407012 RMIN -1.00000000 RSCALE 1.93599041 RMAX 1.93599041 RMIN -1.00000000 RSCALE 1.87960234 RMAX 1.87960234 RMIN -1.00000000 RSCALE 1.82485664 RMAX 1.82485664 RMIN -1.00000000 RSCALE 1.77170547 RMAX 1.77170547 RMIN -1.00000000 RSCALE 1.72010240 RMAX 1.72010240 RMIN -1.00000000 RSCALE 1.67000233 RMAX 1.67000233 RMIN -1.00000000 RSCALE 1.62136149 RMAX 1.62136149 RMIN -1.00000000 RSCALE 1.57413737 RMAX 1.57413737 RMIN -1.00000000 RSCALE 1.52828871 RMAX 1.52828871 RMIN -1.00000000 RSCALE 1.48377544 RMAX 1.48377544 RMIN -1.00000000 RSCALE 1.44055868 RMAX 1.44055868 RMIN -1.00000000 RSCALE 1.39860066 RMAX 1.39860066 RMIN -1.00000000 RSCALE 1.35786472 RMAX 1.35786472 RMIN -1.00000000 RSCALE 1.31831526 RMAX 1.31831526 RMIN -1.00000000 RSCALE 1.27991773 RMAX 1.27991773 RMIN -1.00000000 RSCALE 1.24263857 RMAX 1.24263857 RMIN -1.00000000 RSCALE 1.20644522 DEL 2.48517372 RSCALE 1.20644522 DEL 1.24321597 RSCALE 1.19473427 DEL 0.49783859 RSCALE 1.18313700 DEL 0.14406491 RSCALE 1.17539117 DEL 0.02245478 RSCALE 1.17223689 DEL 0.00119054 RSCALE 1.17165446 DEL 0.00001039 RSCALE 1.17162186 DEL 0.00000000 RSCALE 1.17162157 CNORM= 9.88528E-01 0.1000 2.764E-01 I X 0.2000 5.410E-01 I X 0.3000 3.724E-01 I X 0.4000 -1.434E-02 XI 0.5000 -4.068E-01 X I 0.6000 -7.100E-01 X I 0.7000 -9.050E-01 X I 0.8000 -1.006E+00 X I 0.9000 -1.035E+00 X I 1.0000 -1.015E+00 X I 1.1000 -9.642E-01 X I 1.2000 -8.957E-01 X I 1.3000 -8.187E-01 X I 1.4000 -7.397E-01 X I 1.5000 -6.624E-01 X I 1.6000 -5.893E-01 X I 1.7000 -5.216E-01 X I 1.8000 -4.600E-01 X I 1.9000 -4.044E-01 X I 2.0000 -3.548E-01 X I 2.2000 -2.718E-01 X I 2.4000 -2.074E-01 X I 2.6000 -1.579E-01 X I 2.8000 -1.202E-01 X I 3.0000 -9.142E-02 X I 3.2000 -6.958E-02 X I 3.4000 -5.299E-02 X I 3.6000 -4.039E-02 X I 3.8000 -3.080E-02 X I 4.0000 -2.351E-02 XI 4.2000 -1.796E-02 XI 4.4000 -1.372E-02 XI 4.6000 -1.049E-02 XI 5s d8 5s4f d8s2 4f O 163713.8 152213.8 FIXEDHF 11500. HF8. 5s d8 5s4f d8s2 4f O 163713.8 152213.8 FIXEDHF 11500. HF 8.000 0.000 0.000 0.000 24 47.00 CONFIG=d8s2 4f d8 5s4f L=0 ELIM= 267436.600 N= 5 E= 152213.800HF E= -1.04998747 Z=1.0000 L=0.0000 STEP=-.1000 NUM= 1900 NSAVE= 1900 IRREG=0 IFITER=99 NNODES= 4 NUMR 1725 NUMS 1725 NUML 1899 RS 17.642 RL 0.250 P0 0.00000000 RSCALE 7.76699029 R 1.12500000 P0 0.00000000 RSCALE 7.54076727 R 1.05000000 P0 0.00000000 RSCALE 7.32113327 R 1.00000000 P0 0.00000000 RSCALE 7.10789638 R 0.95000000 P0 0.00000000 RSCALE 6.90087028 R 0.90000000 P0 0.00000000 RSCALE 6.69987405 R 0.85000000 P0 0.00000000 RSCALE 6.50473209 R 0.85000000 P0 0.00000000 RSCALE 6.31527387 R 0.80000000 P0 0.00000000 RSCALE 6.13133386 R 0.75000000 P0 0.00000000 RSCALE 5.95275132 R 0.72500000 P0 0.00000000 RSCALE 5.77937021 R 0.70000000 P0 0.00000000 RSCALE 5.61103904 R 0.65000000 P0 0.00000000 RSCALE 5.44761072 R 0.60000000 P0 0.00000000 RSCALE 5.28894245 R 0.60000000 P0 0.00000000 RSCALE 5.13489558 R 0.55000000 P0 0.00000000 RSCALE 4.98533551 R 0.52500000 P0 0.00000000 RSCALE 4.84013157 R 0.50000000 P0 0.00000000 RSCALE 4.69915686 R 0.45000000 P0 0.00000000 RSCALE 4.56228821 R 0.45000000 P0 0.00000000 RSCALE 4.42940603 R 0.40000000 P0 0.00000000 RSCALE 4.30039421 R 0.40000000 P0 0.00000000 RSCALE 4.17514001 R 0.35000000 P0 0.00000000 RSCALE 4.05353399 R 0.35000000 P0 0.00000000 RSCALE 3.93546989 R 0.30000000 P0 0.00000000 RSCALE 3.82084455 R 0.30000000 P0 0.00000000 RSCALE 3.70955782 R 0.25000000 P0 0.00000000 RSCALE 3.60151245 R 0.25000000 P0 0.00000000 RSCALE 3.49661403 R 0.25000000 P0 0.00000000 RSCALE 3.39477090 R 0.20000000 P0 0.00000000 RSCALE 3.29589408 R 0.20000000 P0 0.00000000 RSCALE 3.19989716 R 0.20000000 RMAX 3.19989716 RMIN -1.00000000 RSCALE 3.10669627 RMAX 3.10669627 RMIN -1.00000000 RSCALE 3.01620997 RMAX 3.01620997 RMIN -1.00000000 RSCALE 2.92835920 RMAX 2.92835920 RMIN -1.00000000 RSCALE 2.84306718 RMAX 2.84306718 RMIN -1.00000000 RSCALE 2.76025940 RMAX 2.76025940 RMIN -1.00000000 RSCALE 2.67986350 RMAX 2.67986350 RMIN -1.00000000 RSCALE 2.60180922 RMAX 2.60180922 RMIN -1.00000000 RSCALE 2.52602837 RMAX 2.52602837 RMIN -1.00000000 RSCALE 2.45245473 RMAX 2.45245473 RMIN -1.00000000 RSCALE 2.38102401 RMAX 2.38102401 RMIN -1.00000000 RSCALE 2.31167379 RMAX 2.31167379 RMIN -1.00000000 RSCALE 2.24434349 RMAX 2.24434349 RMIN -1.00000000 RSCALE 2.17897426 RMAX 2.17897426 RMIN -1.00000000 RSCALE 2.11550899 RMAX 2.11550899 RMIN -1.00000000 RSCALE 2.05389222 RMAX 2.05389222 RMIN -1.00000000 RSCALE 1.99407012 RMAX 1.99407012 RMIN -1.00000000 RSCALE 1.93599041 RMAX 1.93599041 RMIN -1.00000000 RSCALE 1.87960234 RMAX 1.87960234 RMIN -1.00000000 RSCALE 1.82485664 RMAX 1.82485664 RMIN -1.00000000 RSCALE 1.77170547 RMAX 1.77170547 RMIN -1.00000000 RSCALE 1.72010240 RMAX 1.72010240 RMIN -1.00000000 RSCALE 1.67000233 RMAX 1.67000233 RMIN -1.00000000 RSCALE 1.62136149 RMAX 1.62136149 RMIN -1.00000000 RSCALE 1.57413737 RMAX 1.57413737 RMIN -1.00000000 RSCALE 1.52828871 RMAX 1.52828871 RMIN -1.00000000 RSCALE 1.48377544 RMAX 1.48377544 RMIN -1.00000000 RSCALE 1.44055868 RMAX 1.44055868 RMIN -1.00000000 RSCALE 1.39860066 DEL -0.81370766 RSCALE 1.39860066 DEL -0.88343435 RSCALE 1.41230993 DEL -0.81370766 RSCALE 1.39860066 DEL -0.74216859 RSCALE 1.38502447 DEL -0.66824159 RSCALE 1.37158005 DEL -0.59130888 RSCALE 1.35826615 DEL -0.51069135 RSCALE 1.34508148 DEL -0.42562616 RSCALE 1.33202479 DEL -0.33523939 RSCALE 1.31909485 DEL -0.23851171 RSCALE 1.30629042 DEL -0.13423402 RSCALE 1.29361027 DEL -0.02094888 RSCALE 1.28105322 DEL 0.00125216 RSCALE 1.27873115 DEL -0.00001120 RSCALE 1.27886211 DEL -0.00000001 RSCALE 1.27886095 CNORM= 5.55274E-01 0.1000 -1.783E-01 X I 0.2000 1.582E-01 I X 0.3000 2.470E-01 I X 0.4000 2.405E-02 I X 0.5000 -2.330E-01 X I 0.6000 -3.781E-01 X I 0.7000 -3.895E-01 X I 0.8000 -2.992E-01 X I 0.9000 -1.501E-01 X I 1.0000 2.203E-02 I X 1.1000 1.925E-01 I X 1.2000 3.467E-01 I X 1.3000 4.771E-01 I X 1.4000 5.815E-01 I X 1.5000 6.604E-01 I X 1.6000 7.160E-01 I X 1.7000 7.515E-01 I X 1.8000 7.699E-01 I X 1.9000 7.745E-01 I X 2.0000 7.679E-01 I X 2.2000 7.309E-01 I X 2.4000 6.746E-01 I X 2.6000 6.094E-01 I X 2.8000 5.423E-01 I X 3.0000 4.771E-01 I X 3.2000 4.163E-01 I X 3.4000 3.610E-01 I X 3.6000 3.115E-01 I X 3.8000 2.677E-01 I X 4.0000 2.293E-01 I X 4.2000 1.959E-01 I X 4.4000 1.670E-01 I X 4.6000 1.421E-01 I X 4.8000 1.206E-01 I X 5.0000 1.023E-01 I X 5.2000 8.656E-02 I X 5.4000 7.316E-02 I X 5.6000 6.175E-02 I X 5.8000 5.206E-02 I X 6.0000 4.384E-02 I X 6.2000 3.687E-02 I X 6.4000 3.098E-02 I X 6.6000 2.601E-02 I X 6.8000 2.182E-02 I X 7.0000 1.828E-02 IX 7.2000 1.531E-02 IX 7.4000 1.281E-02 IX 7.6000 1.071E-02 IX 7.8000 8.950E-03 IX 4f d8s2 d8s2 4f O 163713.8 152213.8 FIXEDHF 11500. HF8. 4f d8s2 d8s2 4f O 163713.8 152213.8 FIXEDHF 11500. HF 8.000 0.000 0.000 0.000 24 47.00 CONFIG=d8s2 4f d8s2 L=3 ELIM= 159186.700 N= 4 E= 152213.800HF E= -0.06354174 Z=1.0000 L=3.0000 STEP=-.1000 NUM= 7900 NSAVE= 7900 IRREG=0 IFITER=99 NNODES= 0 NUMR 7725 NUMS 7725 NUML 7871 RS 17.642 RL 3.000 P0 0.00000000 RSCALE 7.76699029 R 12.50000000 P0 0.00000000 RSCALE 7.54076727 R 12.40000000 P0 0.00000000 RSCALE 7.32113327 R 12.20000000 P0 0.00000000 RSCALE 7.10789638 R 12.00000000 P0 0.00000000 RSCALE 6.90087028 R 11.80000000 P0 0.00000000 RSCALE 6.69987405 R 11.60000000 P0 0.00000000 RSCALE 6.50473209 R 11.40000000 P0 0.00000000 RSCALE 6.31527387 R 11.20000000 P0 0.00000000 RSCALE 6.13133386 R 11.00000000 P0 0.00000000 RSCALE 5.95275132 R 10.80000000 P0 0.00000000 RSCALE 5.77937021 R 10.50000000 P0 0.00000000 RSCALE 5.61103904 R 10.30000000 P0 0.00000000 RSCALE 5.44761072 R 10.10000000 P0 0.00000000 RSCALE 5.28894245 R 9.90000000 P0 0.00000000 RSCALE 5.13489558 R 9.70000000 P0 0.00000000 RSCALE 4.98533551 R 9.50000000 P0 0.00000000 RSCALE 4.84013157 R 9.40000000 P0 0.00000000 RSCALE 4.69915686 R 9.20000000 P0 0.00000000 RSCALE 4.56228821 R 9.00000000 P0 0.00000000 RSCALE 4.42940603 R 8.90000000 P0 0.00000000 RSCALE 4.30039421 R 8.80000000 P0 0.00000000 RSCALE 4.17514001 R 8.70000000 P0 0.00000000 RSCALE 4.05353399 R 8.60000000 P0 0.00000000 RSCALE 3.93546989 R 8.50000000 P0 0.00000000 RSCALE 3.82084455 R 8.50000000 P0 0.00000000 RSCALE 3.70955782 R 8.40000000 P0 0.00000000 RSCALE 3.60151245 R 8.40000000 P0 0.00000000 RSCALE 3.49661403 R 8.30000000 P0 0.00000000 RSCALE 3.39477090 R 8.30000000 P0 0.00000000 RSCALE 3.29589408 R 8.30000000 P0 0.00000000 RSCALE 3.19989716 R 8.30000000 P0 0.00000000 RSCALE 3.10669627 R 8.30000000 P0 0.00000000 RSCALE 3.01620997 R 8.30000000 P0 0.00000000 RSCALE 2.92835920 R 8.30000000 P0 0.00000000 RSCALE 2.84306718 R 8.30000000 P0 0.00000000 RSCALE 2.76025940 R 8.30000000 P0 0.00000000 RSCALE 2.67986350 R 8.20000000 P0 0.00000000 RSCALE 2.60180922 R 8.20000000 P0 0.00000000 RSCALE 2.52602837 R 8.20000000 P0 0.00000000 RSCALE 2.45245473 R 8.20000000 P0 0.00000000 RSCALE 2.38102401 R 8.20000000 P0 0.00000000 RSCALE 2.31167379 R 8.20000000 INWARD INTEGRATION STOPS AT 83 ORIGIN ~R**2 CNORM= 7.86800E-01 0.1000 3.507E-09 X 0.2000 1.403E-08 X 0.3000 3.157E-08 X 0.4000 5.612E-08 X 0.5000 8.769E-08 X 0.6000 1.263E-07 X 0.7000 1.719E-07 X 0.8000 2.245E-07 X 0.9000 2.841E-07 X 1.0000 3.507E-07 X 1.1000 4.244E-07 X 1.2000 5.051E-07 X 1.3000 5.928E-07 X 1.4000 6.875E-07 X 1.5000 7.892E-07 X 1.6000 8.979E-07 X 1.7000 1.014E-06 X 1.8000 1.136E-06 X 1.9000 1.266E-06 X 2.0000 1.403E-06 X 2.2000 1.698E-06 X 2.4000 2.020E-06 X 2.6000 2.371E-06 X 2.8000 2.750E-06 X 3.0000 3.157E-06 X 3.2000 3.592E-06 X 3.4000 4.055E-06 X 3.6000 4.546E-06 X 3.8000 5.065E-06 X 4.0000 5.612E-06 X 4.2000 6.187E-06 X 4.4000 6.790E-06 X 4.6000 7.422E-06 X 4.8000 8.081E-06 X 5.0000 8.769E-06 X 5.2000 9.484E-06 X 5.4000 1.023E-05 X 5.6000 1.100E-05 X 5.8000 1.180E-05 X 6.0000 1.263E-05 X 6.2000 1.348E-05 X 6.4000 1.437E-05 X 6.6000 1.528E-05 X 6.8000 1.622E-05 X 7.0000 1.719E-05 X 7.2000 1.818E-05 X 7.4000 1.921E-05 X 7.6000 2.026E-05 X 7.8000 2.134E-05 X 8.0000 2.245E-05 X 8.2000 2.358E-05 X 8.4000 3.979E-03 IX 8.6000 1.189E-02 I X 8.8000 1.979E-02 I X 9.0000 2.769E-02 I X 9.2000 3.558E-02 I X 9.4000 4.345E-02 I X 9.6000 5.130E-02 I X 9.8000 5.911E-02 I X 10.0000 6.689E-02 I X 10.4000 8.231E-02 I X 10.8000 9.750E-02 I X 11.2000 1.124E-01 I X 11.6000 1.269E-01 I X 12.0000 1.411E-01 I X 12.4000 1.548E-01 I X 12.8000 1.680E-01 I X 13.2000 1.807E-01 I X 13.6000 1.928E-01 I X 14.0000 2.044E-01 I X 14.4000 2.154E-01 I X 14.8000 2.257E-01 I X 15.2000 2.355E-01 I X 15.6000 2.446E-01 I X 16.0000 2.532E-01 I X 16.4000 2.612E-01 I X 16.8000 2.686E-01 I X 17.2000 2.754E-01 I X 17.6000 2.817E-01 I X 18.0000 2.865E-01 I X 18.4000 2.893E-01 I X 18.8000 2.904E-01 I X 19.2000 2.900E-01 I X 19.6000 2.883E-01 I X 20.0000 2.854E-01 I X 20.5000 2.804E-01 I X 21.0000 2.742E-01 I X 21.5000 2.669E-01 I X 22.0000 2.589E-01 I X 22.5000 2.502E-01 I X 23.0000 2.412E-01 I X 23.5000 2.318E-01 I X 24.0000 2.223E-01 I X 24.5000 2.128E-01 I X 25.0000 2.032E-01 I X 25.5000 1.937E-01 I X 26.0000 1.844E-01 I X 26.5000 1.752E-01 I X 27.0000 1.663E-01 I X 27.5000 1.576E-01 I X 28.0000 1.492E-01 I X 28.5000 1.410E-01 I X 29.0000 1.331E-01 I X 29.5000 1.255E-01 I X 30.0000 1.183E-01 I X 31.0000 1.046E-01 I X 32.0000 9.214E-02 I X 33.0000 8.085E-02 I X 34.0000 7.070E-02 I X 35.0000 6.161E-02 I X 36.0000 5.351E-02 I X 37.0000 4.634E-02 I X 38.0000 4.002E-02 I X 39.0000 3.446E-02 I X 40.0000 2.960E-02 I X 41.0000 2.536E-02 I X 42.0000 2.168E-02 I X 43.0000 1.849E-02 I X 44.0000 1.574E-02 I X 45.0000 1.337E-02 I X 46.0000 1.133E-02 I X 47.0000 9.590E-03 I X 48.0000 8.101E-03 I X 49.0000 6.831E-03 IX 50.0000 5.750E-03 IX 51.0000 4.833E-03 IX 52.0000 4.056E-03 IX 53.0000 3.399E-03 IX 6h d10 d10 6h P 58047.9 53047.9 FIXEDHF 5000. HF8. 6h d10 d10 6h P 58047.9 53047.9 FIXEDHF 5000. HF 8.000 0.000 0.000 0.000 25 47.00 CONFIG=d10 6h d10 L=5 ELIM= 56099.000 N= 6 E= 53047.900HF E= -0.02780367 Z=1.0000 L=5.0000 STEP=-.1000 NUM= 12400 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 0 NUMR12225 NUMS12225 NUML12326 RS 17.642 RL 7.500 P0 0.00000000 RSCALE 7.76699029 R 15.20000000 P0 0.00000000 RSCALE 7.54076727 R 15.20000000 P0 0.00000000 RSCALE 7.32113327 R 15.20000000 P0 0.00000000 RSCALE 7.10789638 R 15.10000000 P0 0.00000000 RSCALE 6.90087028 R 15.10000000 P0 0.00000000 RSCALE 6.69987405 R 15.10000000 P0 0.00000000 RSCALE 6.50473209 R 15.10000000 P0 0.00000000 RSCALE 6.31527387 R 15.10000000 P0 0.00000000 RSCALE 6.13133386 R 15.10000000 P0 0.00000000 RSCALE 5.95275132 R 15.00000000 P0 0.00000000 RSCALE 5.77937021 R 15.00000000 P0 0.00000000 RSCALE 5.61103904 R 15.00000000 P0 0.00000000 RSCALE 5.44761072 R 15.00000000 P0 0.00000000 RSCALE 5.28894245 R 15.00000000 P0 0.00000000 RSCALE 5.13489558 R 15.00000000 P0 0.00000000 RSCALE 4.98533551 R 15.00000000 P0 0.00000000 RSCALE 4.84013157 R 15.00000000 P0 0.00000000 RSCALE 4.69915686 R 15.00000000 P0 0.00000000 RSCALE 4.56228821 R 15.00000000 P0 0.00000000 RSCALE 4.42940603 R 15.00000000 P0 0.00000000 RSCALE 4.30039421 R 15.00000000 P0 0.00000000 RSCALE 4.17514001 R 15.00000000 INWARD INTEGRATION STOPS AT 151 ORIGIN ~R**2 CNORM= 9.96607E-01 0.1000 3.762E-08 X 0.2000 1.505E-07 X 0.3000 3.386E-07 X 0.4000 6.019E-07 X 0.5000 9.405E-07 X 0.6000 1.354E-06 X 0.7000 1.843E-06 X 0.8000 2.408E-06 X 0.9000 3.047E-06 X 1.0000 3.762E-06 X 1.1000 4.552E-06 X 1.2000 5.417E-06 X 1.3000 6.358E-06 X 1.4000 7.374E-06 X 1.5000 8.465E-06 X 1.6000 9.631E-06 X 1.7000 1.087E-05 X 1.8000 1.219E-05 X 1.9000 1.358E-05 X 2.0000 1.505E-05 X 2.2000 1.821E-05 X 2.4000 2.167E-05 X 2.6000 2.543E-05 X 2.8000 2.949E-05 X 3.0000 3.386E-05 X 3.2000 3.852E-05 X 3.4000 4.349E-05 X 3.6000 4.876E-05 X 3.8000 5.432E-05 X 4.0000 6.019E-05 X 4.2000 6.636E-05 X 4.4000 7.283E-05 X 4.6000 7.961E-05 X 4.8000 8.668E-05 X 5.0000 9.405E-05 X 5.2000 1.017E-04 X 5.4000 1.097E-04 X 5.6000 1.180E-04 X 5.8000 1.266E-04 X 6.0000 1.354E-04 X 6.2000 1.446E-04 X 6.4000 1.541E-04 X 6.6000 1.639E-04 X 6.8000 1.740E-04 X 7.0000 1.843E-04 X 7.2000 1.950E-04 X 7.4000 2.060E-04 X 7.6000 2.173E-04 X 7.8000 2.289E-04 X 8.0000 2.408E-04 X 8.2000 2.530E-04 X 8.4000 2.655E-04 X 8.6000 2.782E-04 X 8.8000 2.913E-04 X 9.0000 3.047E-04 X 9.2000 3.184E-04 X 9.4000 3.324E-04 X 9.6000 3.467E-04 X 9.8000 3.613E-04 X 10.0000 3.762E-04 X 10.4000 4.069E-04 X 10.8000 4.388E-04 X 11.2000 4.719E-04 X 11.6000 5.062E-04 X 12.0000 5.417E-04 X 12.4000 5.785E-04 X 12.8000 6.164E-04 X 13.2000 6.555E-04 X 13.6000 6.958E-04 X 14.0000 7.374E-04 X 14.4000 7.801E-04 X 14.8000 8.240E-04 X 15.2000 2.451E-03 IX 15.6000 8.833E-03 I X 16.0000 1.525E-02 I X 16.4000 2.171E-02 I X 16.8000 2.823E-02 I X 17.2000 3.482E-02 I X 17.6000 4.148E-02 I X 18.0000 4.806E-02 I X 18.4000 5.447E-02 I X 18.8000 6.071E-02 I X 19.2000 6.678E-02 I X 19.6000 7.268E-02 I X 20.0000 7.842E-02 I X 20.5000 8.537E-02 I X 21.0000 9.209E-02 I X 21.5000 9.859E-02 I X 22.0000 1.049E-01 I X 22.5000 1.110E-01 I X 23.0000 1.169E-01 I X 23.5000 1.226E-01 I X 24.0000 1.281E-01 I X 24.5000 1.335E-01 I X 25.0000 1.386E-01 I X 25.5000 1.436E-01 I X 26.0000 1.484E-01 I X 26.5000 1.530E-01 I X 27.0000 1.574E-01 I X 27.5000 1.616E-01 I X 28.0000 1.656E-01 I X 28.5000 1.694E-01 I X 29.0000 1.729E-01 I X 29.5000 1.762E-01 I X 30.0000 1.792E-01 I X 31.0000 1.846E-01 I X 32.0000 1.889E-01 I X 33.0000 1.923E-01 I X 34.0000 1.946E-01 I X 35.0000 1.959E-01 I X 36.0000 1.963E-01 I X 37.0000 1.958E-01 I X 38.0000 1.944E-01 I X 39.0000 1.923E-01 I X 40.0000 1.894E-01 I X 41.0000 1.859E-01 I X 42.0000 1.817E-01 I X 43.0000 1.771E-01 I X 44.0000 1.721E-01 I X 45.0000 1.666E-01 I X 46.0000 1.609E-01 I X 47.0000 1.549E-01 I X 48.0000 1.488E-01 I X 49.0000 1.425E-01 I X 50.0000 1.361E-01 I X 51.0000 1.297E-01 I X 52.0000 1.233E-01 I X 53.0000 1.170E-01 I X 54.0000 1.108E-01 I X 55.0000 1.047E-01 I X 56.0000 9.871E-02 I X 57.0000 9.290E-02 I X 58.0000 8.728E-02 I X 59.0000 8.184E-02 I X 60.0000 7.662E-02 I X 62.0000 6.681E-02 I X 64.0000 5.790E-02 I X 66.0000 4.988E-02 I X 68.0000 4.274E-02 I X 70.0000 3.643E-02 I X 72.0000 3.090E-02 I X 74.0000 2.609E-02 I X 76.0000 2.193E-02 I X 78.0000 1.836E-02 I X 80.0000 1.531E-02 I X 82.0000 1.272E-02 I X 84.0000 1.053E-02 I X 86.0000 8.686E-03 I X 88.0000 7.142E-03 I X 90.0000 5.855E-03 I X 92.0000 4.785E-03 IX 94.0000 3.900E-03 IX 96.0000 3.170E-03 IX 98.0000 2.570E-03 IX 100.0000 2.078E-03 IX 7h d10 d10 7h Q 58857.8 53857.8 FIXEDHF 5000. HF8. 7h d10 d10 7h Q 58857.8 53857.8 FIXEDHF 5000. HF 8.000 0.000 0.000 0.000 26 47.00 CONFIG=d10 7h d10 L=5 ELIM= 56099.000 N= 7 E= 53857.800HF E= -0.02042332 Z=1.0000 L=5.0000 STEP=-.1000 NUM= 14700 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 1 NUMR14525 NUMS14525 NUML14626 RS 17.642 RL 7.500 P0 0.00000000 RSCALE 7.76699029 R 15.00000000 P0 0.00000000 RSCALE 7.54076727 R 14.90000000 P0 0.00000000 RSCALE 7.32113327 R 14.90000000 P0 0.00000000 RSCALE 7.10789638 R 14.90000000 P0 0.00000000 RSCALE 6.90087028 R 14.90000000 P0 0.00000000 RSCALE 6.69987405 R 14.80000000 P0 0.00000000 RSCALE 6.50473209 R 14.80000000 P0 0.00000000 RSCALE 6.31527387 R 14.80000000 P0 0.00000000 RSCALE 6.13133386 R 14.80000000 P0 0.00000000 RSCALE 5.95275132 R 14.80000000 P0 0.00000000 RSCALE 5.77937021 R 14.70000000 P0 0.00000000 RSCALE 5.61103904 R 14.70000000 P0 0.00000000 RSCALE 5.44761072 R 14.70000000 P0 0.00000000 RSCALE 5.28894245 R 14.70000000 P0 0.00000000 RSCALE 5.13489558 R 14.70000000 P0 0.00000000 RSCALE 4.98533551 R 14.70000000 P0 0.00000000 RSCALE 4.84013157 R 14.70000000 P0 0.00000000 RSCALE 4.69915686 R 14.70000000 P0 0.00000000 RSCALE 4.56228821 R 14.70000000 P0 0.00000000 RSCALE 4.42940603 R 14.70000000 P0 0.00000000 RSCALE 4.30039421 R 14.70000000 P0 0.00000000 RSCALE 4.17514001 R 14.70000000 INWARD INTEGRATION STOPS AT 148 ORIGIN ~R**2 CNORM= 9.95099E-01 0.1000 4.298E-08 X 0.2000 1.719E-07 X 0.3000 3.868E-07 X 0.4000 6.877E-07 X 0.5000 1.075E-06 X 0.6000 1.547E-06 X 0.7000 2.106E-06 X 0.8000 2.751E-06 X 0.9000 3.482E-06 X 1.0000 4.298E-06 X 1.1000 5.201E-06 X 1.2000 6.190E-06 X 1.3000 7.264E-06 X 1.4000 8.425E-06 X 1.5000 9.671E-06 X 1.6000 1.100E-05 X 1.7000 1.242E-05 X 1.8000 1.393E-05 X 1.9000 1.552E-05 X 2.0000 1.719E-05 X 2.2000 2.080E-05 X 2.4000 2.476E-05 X 2.6000 2.906E-05 X 2.8000 3.370E-05 X 3.0000 3.868E-05 X 3.2000 4.401E-05 X 3.4000 4.969E-05 X 3.6000 5.571E-05 X 3.8000 6.207E-05 X 4.0000 6.877E-05 X 4.2000 7.582E-05 X 4.4000 8.322E-05 X 4.6000 9.095E-05 X 4.8000 9.903E-05 X 5.0000 1.075E-04 X 5.2000 1.162E-04 X 5.4000 1.253E-04 X 5.6000 1.348E-04 X 5.8000 1.446E-04 X 6.0000 1.547E-04 X 6.2000 1.652E-04 X 6.4000 1.761E-04 X 6.6000 1.872E-04 X 6.8000 1.988E-04 X 7.0000 2.106E-04 X 7.2000 2.228E-04 X 7.4000 2.354E-04 X 7.6000 2.483E-04 X 7.8000 2.615E-04 X 8.0000 2.751E-04 X 8.2000 2.890E-04 X 8.4000 3.033E-04 X 8.6000 3.179E-04 X 8.8000 3.329E-04 X 9.0000 3.482E-04 X 9.2000 3.638E-04 X 9.4000 3.798E-04 X 9.6000 3.961E-04 X 9.8000 4.128E-04 X 10.0000 4.298E-04 X 10.4000 4.649E-04 X 10.8000 5.014E-04 X 11.2000 5.392E-04 X 11.6000 5.784E-04 X 12.0000 6.190E-04 X 12.4000 6.609E-04 X 12.8000 7.042E-04 X 13.2000 7.489E-04 X 13.6000 7.950E-04 X 14.0000 8.425E-04 X 14.4000 8.913E-04 X 14.8000 9.415E-04 X 15.2000 7.055E-03 I X 15.6000 1.319E-02 I X 16.0000 1.936E-02 I X 16.4000 2.556E-02 I X 16.8000 3.181E-02 I X 17.2000 3.809E-02 I X 17.6000 4.441E-02 I X 18.0000 5.059E-02 I X 18.4000 5.653E-02 I X 18.8000 6.222E-02 I X 19.2000 6.767E-02 I X 19.6000 7.287E-02 I X 20.0000 7.782E-02 I X 20.5000 8.366E-02 I X 21.0000 8.911E-02 I X 21.5000 9.419E-02 I X 22.0000 9.890E-02 I X 22.5000 1.032E-01 I X 23.0000 1.072E-01 I X 23.5000 1.108E-01 I X 24.0000 1.140E-01 I X 24.5000 1.169E-01 I X 25.0000 1.194E-01 I X 25.5000 1.215E-01 I X 26.0000 1.232E-01 I X 26.5000 1.245E-01 I X 27.0000 1.254E-01 I X 27.5000 1.260E-01 I X 28.0000 1.261E-01 I X 28.5000 1.259E-01 I X 29.0000 1.252E-01 I X 29.5000 1.242E-01 I X 30.0000 1.227E-01 I X 31.0000 1.186E-01 I X 32.0000 1.130E-01 I X 33.0000 1.059E-01 I X 34.0000 9.750E-02 I X 35.0000 8.788E-02 I X 36.0000 7.719E-02 I X 37.0000 6.557E-02 I X 38.0000 5.318E-02 I X 39.0000 4.019E-02 I X 40.0000 2.675E-02 I X 41.0000 1.302E-02 I X 42.0000 -8.524E-04 X 43.0000 -1.471E-02 X I 44.0000 -2.843E-02 X I 45.0000 -4.188E-02 X I 46.0000 -5.494E-02 X I 47.0000 -6.751E-02 X I 48.0000 -7.951E-02 X I 49.0000 -9.086E-02 X I 50.0000 -1.015E-01 X I 51.0000 -1.114E-01 X I 52.0000 -1.204E-01 X I 53.0000 -1.286E-01 X I 54.0000 -1.360E-01 X I 55.0000 -1.425E-01 X I 56.0000 -1.481E-01 X I 57.0000 -1.530E-01 X I 58.0000 -1.569E-01 X I 59.0000 -1.601E-01 X I 60.0000 -1.625E-01 X I 62.0000 -1.651E-01 X I 64.0000 -1.650E-01 X I 66.0000 -1.626E-01 X I 68.0000 -1.583E-01 X I 70.0000 -1.524E-01 X I 72.0000 -1.452E-01 X I 74.0000 -1.372E-01 X I 76.0000 -1.285E-01 X I 78.0000 -1.194E-01 X I 80.0000 -1.102E-01 X I 82.0000 -1.011E-01 X I 84.0000 -9.216E-02 X I 86.0000 -8.353E-02 X I 88.0000 -7.531E-02 X I 90.0000 -6.756E-02 X I 92.0000 -6.033E-02 X I 94.0000 -5.363E-02 X I 96.0000 -4.748E-02 X I 98.0000 -4.186E-02 X I 100.0000 -3.677E-02 X I 104.0000 -2.808E-02 X I 108.0000 -2.116E-02 X I 112.0000 -1.576E-02 X I 116.0000 -1.161E-02 X I 120.0000 -8.464E-03 X I 124.0000 -6.115E-03 X I 128.0000 -4.380E-03 XI 132.0000 -3.113E-03 XI 136.0000 -2.195E-03 XI 8h d10 d10 8h R 59382.8 54382.8 FIXEDHF 5000. HF8. 8h d10 d10 8h R 59382.8 54382.8 FIXEDHF 5000. HF 8.000 0.000 0.000 0.000 27 47.00 CONFIG=d10 8h d10 L=5 ELIM= 56099.000 N= 8 E= 54382.800HF E= -0.01563917 Z=1.0000 L=5.0000 STEP=-.1000 NUM= 17200 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 2 NUMR17025 NUMS17025 NUML17126 RS 17.642 RL 7.500 P0 0.00000000 RSCALE 7.76699029 R 14.80000000 P0 0.00000000 RSCALE 7.54076727 R 14.80000000 P0 0.00000000 RSCALE 7.32113327 R 14.70000000 P0 0.00000000 RSCALE 7.10789638 R 14.70000000 P0 0.00000000 RSCALE 6.90087028 R 14.70000000 P0 0.00000000 RSCALE 6.69987405 R 14.60000000 P0 0.00000000 RSCALE 6.50473209 R 14.60000000 P0 0.00000000 RSCALE 6.31527387 R 14.60000000 P0 0.00000000 RSCALE 6.13133386 R 14.50000000 P0 0.00000000 RSCALE 5.95275132 R 14.50000000 P0 0.00000000 RSCALE 5.77937021 R 14.50000000 P0 0.00000000 RSCALE 5.61103904 R 14.50000000 P0 0.00000000 RSCALE 5.44761072 R 14.50000000 P0 0.00000000 RSCALE 5.28894245 R 14.50000000 P0 0.00000000 RSCALE 5.13489558 R 14.40000000 P0 0.00000000 RSCALE 4.98533551 R 14.40000000 P0 0.00000000 RSCALE 4.84013157 R 14.40000000 P0 0.00000000 RSCALE 4.69915686 R 14.40000000 P0 0.00000000 RSCALE 4.56228821 R 14.40000000 P0 0.00000000 RSCALE 4.42940603 R 14.40000000 P0 0.00000000 RSCALE 4.30039421 R 14.40000000 P0 0.00000000 RSCALE 4.17514001 R 14.40000000 P0 0.00000000 RSCALE 4.05353399 R 14.40000000 INWARD INTEGRATION STOPS AT 145 ORIGIN ~R**2 CNORM= 9.96119E-01 0.1000 1.280E-08 X 0.2000 5.121E-08 X 0.3000 1.152E-07 X 0.4000 2.048E-07 X 0.5000 3.201E-07 X 0.6000 4.609E-07 X 0.7000 6.273E-07 X 0.8000 8.194E-07 X 0.9000 1.037E-06 X 1.0000 1.280E-06 X 1.1000 1.549E-06 X 1.2000 1.844E-06 X 1.3000 2.164E-06 X 1.4000 2.509E-06 X 1.5000 2.881E-06 X 1.6000 3.277E-06 X 1.7000 3.700E-06 X 1.8000 4.148E-06 X 1.9000 4.622E-06 X 2.0000 5.121E-06 X 2.2000 6.196E-06 X 2.4000 7.374E-06 X 2.6000 8.654E-06 X 2.8000 1.004E-05 X 3.0000 1.152E-05 X 3.2000 1.311E-05 X 3.4000 1.480E-05 X 3.6000 1.659E-05 X 3.8000 1.849E-05 X 4.0000 2.048E-05 X 4.2000 2.258E-05 X 4.4000 2.479E-05 X 4.6000 2.709E-05 X 4.8000 2.950E-05 X 5.0000 3.201E-05 X 5.2000 3.462E-05 X 5.4000 3.733E-05 X 5.6000 4.015E-05 X 5.8000 4.307E-05 X 6.0000 4.609E-05 X 6.2000 4.921E-05 X 6.4000 5.244E-05 X 6.6000 5.577E-05 X 6.8000 5.920E-05 X 7.0000 6.273E-05 X 7.2000 6.637E-05 X 7.4000 7.011E-05 X 7.6000 7.395E-05 X 7.8000 7.789E-05 X 8.0000 8.194E-05 X 8.2000 8.608E-05 X 8.4000 9.033E-05 X 8.6000 9.469E-05 X 8.8000 9.914E-05 X 9.0000 1.037E-04 X 9.2000 1.084E-04 X 9.4000 1.131E-04 X 9.6000 1.180E-04 X 9.8000 1.230E-04 X 10.0000 1.280E-04 X 10.4000 1.385E-04 X 10.8000 1.493E-04 X 11.2000 1.606E-04 X 11.6000 1.723E-04 X 12.0000 1.844E-04 X 12.4000 1.969E-04 X 12.8000 2.098E-04 X 13.2000 2.231E-04 X 13.6000 2.368E-04 X 14.0000 2.509E-04 X 14.4000 2.655E-04 X 14.8000 4.265E-03 I X 15.2000 9.603E-03 I X 15.6000 1.496E-02 I X 16.0000 2.035E-02 I X 16.4000 2.576E-02 I X 16.8000 3.119E-02 I X 17.2000 3.663E-02 I X 17.6000 4.208E-02 I X 18.0000 4.737E-02 I X 18.4000 5.239E-02 I X 18.8000 5.715E-02 I X 19.2000 6.164E-02 I X 19.6000 6.585E-02 I X 20.0000 6.979E-02 I X 20.5000 7.432E-02 I X 21.0000 7.843E-02 I X 21.5000 8.211E-02 I X 22.0000 8.537E-02 I X 22.5000 8.821E-02 I X 23.0000 9.062E-02 I X 23.5000 9.261E-02 I X 24.0000 9.419E-02 I X 24.5000 9.534E-02 I X 25.0000 9.607E-02 I X 25.5000 9.639E-02 I X 26.0000 9.628E-02 I X 26.5000 9.576E-02 I X 27.0000 9.483E-02 I X 27.5000 9.348E-02 I X 28.0000 9.172E-02 I X 28.5000 8.956E-02 I X 29.0000 8.701E-02 I X 29.5000 8.408E-02 I X 30.0000 8.077E-02 I X 31.0000 7.310E-02 I X 32.0000 6.414E-02 I X 33.0000 5.406E-02 I X 34.0000 4.303E-02 I X 35.0000 3.127E-02 I X 36.0000 1.897E-02 I X 37.0000 6.357E-03 I X 38.0000 -6.363E-03 X I 39.0000 -1.898E-02 X I 40.0000 -3.130E-02 X I 41.0000 -4.313E-02 X I 42.0000 -5.430E-02 X I 43.0000 -6.466E-02 X I 44.0000 -7.407E-02 X I 45.0000 -8.242E-02 X I 46.0000 -8.963E-02 X I 47.0000 -9.561E-02 X I 48.0000 -1.003E-01 X I 49.0000 -1.037E-01 X I 50.0000 -1.058E-01 X I 51.0000 -1.066E-01 X I 52.0000 -1.061E-01 X I 53.0000 -1.044E-01 X I 54.0000 -1.014E-01 X I 55.0000 -9.737E-02 X I 56.0000 -9.226E-02 X I 57.0000 -8.618E-02 X I 58.0000 -7.922E-02 X I 59.0000 -7.148E-02 X I 60.0000 -6.305E-02 X I 62.0000 -4.451E-02 X I 64.0000 -2.440E-02 X I 66.0000 -3.475E-03 XI 68.0000 1.756E-02 I X 70.0000 3.810E-02 I X 72.0000 5.760E-02 I X 74.0000 7.565E-02 I X 76.0000 9.192E-02 I X 78.0000 1.062E-01 I X 80.0000 1.183E-01 I X 82.0000 1.282E-01 I X 84.0000 1.359E-01 I X 86.0000 1.415E-01 I X 88.0000 1.451E-01 I X 90.0000 1.468E-01 I X 92.0000 1.468E-01 I X 94.0000 1.453E-01 I X 96.0000 1.426E-01 I X 98.0000 1.387E-01 I X 100.0000 1.339E-01 I X 104.0000 1.222E-01 I X 108.0000 1.090E-01 I X 112.0000 9.520E-02 I X 116.0000 8.165E-02 I X 120.0000 6.890E-02 I X 124.0000 5.729E-02 I X 128.0000 4.702E-02 I X 132.0000 3.813E-02 I X 136.0000 3.058E-02 I X 140.0000 2.428E-02 I X 144.0000 1.909E-02 I X 148.0000 1.489E-02 I X 152.0000 1.151E-02 I X 156.0000 8.837E-03 I X 160.0000 6.735E-03 I X 164.0000 5.100E-03 I X 168.0000 3.837E-03 IX 172.0000 2.870E-03 IX 176.0000 2.135E-03 IX 180.0000 1.580E-03 IX 9h d10 d10 9h S 59743.5 54743.5 FIXEDHF 5000. HF8. 9h d10 d10 9h S 59743.5 54743.5 FIXEDHF 5000. HF 8.000 0.000 0.000 0.000 28 47.00 CONFIG=d10 9h d10 L=5 ELIM= 56099.000 N= 9 E= 54743.500HF E= -0.01235223 Z=1.0000 L=5.0000 STEP=-.1000 NUM= 19700 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 3 NUMR19525 NUMS19525 NUML19626 RS 17.642 RL 7.500 P0 0.00000000 RSCALE 7.76699029 R 14.70000000 P0 0.00000000 RSCALE 7.54076727 R 14.70000000 P0 0.00000000 RSCALE 7.32113327 R 14.60000000 P0 0.00000000 RSCALE 7.10789638 R 14.60000000 P0 0.00000000 RSCALE 6.90087028 R 14.50000000 P0 0.00000000 RSCALE 6.69987405 R 14.50000000 P0 0.00000000 RSCALE 6.50473209 R 14.50000000 P0 0.00000000 RSCALE 6.31527387 R 14.40000000 P0 0.00000000 RSCALE 6.13133386 R 14.40000000 P0 0.00000000 RSCALE 5.95275132 R 14.40000000 P0 0.00000000 RSCALE 5.77937021 R 14.40000000 P0 0.00000000 RSCALE 5.61103904 R 14.30000000 P0 0.00000000 RSCALE 5.44761072 R 14.30000000 P0 0.00000000 RSCALE 5.28894245 R 14.30000000 P0 0.00000000 RSCALE 5.13489558 R 14.30000000 P0 0.00000000 RSCALE 4.98533551 R 14.30000000 P0 0.00000000 RSCALE 4.84013157 R 14.30000000 P0 0.00000000 RSCALE 4.69915686 R 14.30000000 P0 0.00000000 RSCALE 4.56228821 R 14.30000000 P0 0.00000000 RSCALE 4.42940603 R 14.30000000 P0 0.00000000 RSCALE 4.30039421 R 14.30000000 P0 0.00000000 RSCALE 4.17514001 R 14.30000000 P0 0.00000000 RSCALE 4.05353399 R 14.30000000 INWARD INTEGRATION STOPS AT 144 ORIGIN ~R**2 CNORM= 9.97115E-01 0.1000 3.731E-08 X 0.2000 1.492E-07 X 0.3000 3.357E-07 X 0.4000 5.969E-07 X 0.5000 9.326E-07 X 0.6000 1.343E-06 X 0.7000 1.828E-06 X 0.8000 2.388E-06 X 0.9000 3.022E-06 X 1.0000 3.731E-06 X 1.1000 4.514E-06 X 1.2000 5.372E-06 X 1.3000 6.305E-06 X 1.4000 7.312E-06 X 1.5000 8.394E-06 X 1.6000 9.550E-06 X 1.7000 1.078E-05 X 1.8000 1.209E-05 X 1.9000 1.347E-05 X 2.0000 1.492E-05 X 2.2000 1.806E-05 X 2.4000 2.149E-05 X 2.6000 2.522E-05 X 2.8000 2.925E-05 X 3.0000 3.357E-05 X 3.2000 3.820E-05 X 3.4000 4.312E-05 X 3.6000 4.835E-05 X 3.8000 5.387E-05 X 4.0000 5.969E-05 X 4.2000 6.581E-05 X 4.4000 7.222E-05 X 4.6000 7.894E-05 X 4.8000 8.595E-05 X 5.0000 9.326E-05 X 5.2000 1.009E-04 X 5.4000 1.088E-04 X 5.6000 1.170E-04 X 5.8000 1.255E-04 X 6.0000 1.343E-04 X 6.2000 1.434E-04 X 6.4000 1.528E-04 X 6.6000 1.625E-04 X 6.8000 1.725E-04 X 7.0000 1.828E-04 X 7.2000 1.934E-04 X 7.4000 2.043E-04 X 7.6000 2.155E-04 X 7.8000 2.270E-04 X 8.0000 2.388E-04 X 8.2000 2.508E-04 X 8.4000 2.632E-04 X 8.6000 2.759E-04 X 8.8000 2.889E-04 X 9.0000 3.022E-04 X 9.2000 3.158E-04 X 9.4000 3.296E-04 X 9.6000 3.438E-04 X 9.8000 3.583E-04 X 10.0000 3.731E-04 X 10.4000 4.035E-04 X 10.8000 4.351E-04 X 11.2000 4.680E-04 X 11.6000 5.020E-04 X 12.0000 5.372E-04 X 12.4000 5.736E-04 X 12.8000 6.112E-04 X 13.2000 6.500E-04 X 13.6000 6.900E-04 X 14.0000 7.312E-04 X 14.4000 7.736E-04 X 14.8000 5.370E-03 I X 15.2000 9.979E-03 I X 15.6000 1.460E-02 I X 16.0000 1.925E-02 I X 16.4000 2.390E-02 I X 16.8000 2.856E-02 I X 17.2000 3.322E-02 I X 17.6000 3.787E-02 I X 18.0000 4.235E-02 I X 18.4000 4.658E-02 I X 18.8000 5.054E-02 I X 19.2000 5.424E-02 I X 19.6000 5.767E-02 I X 20.0000 6.082E-02 I X 20.5000 6.439E-02 I X 21.0000 6.753E-02 I X 21.5000 7.024E-02 I X 22.0000 7.254E-02 I X 22.5000 7.442E-02 I X 23.0000 7.588E-02 I X 23.5000 7.693E-02 I X 24.0000 7.756E-02 I X 24.5000 7.779E-02 I X 25.0000 7.761E-02 I X 25.5000 7.703E-02 I X 26.0000 7.604E-02 I X 26.5000 7.467E-02 I X 27.0000 7.291E-02 I X 27.5000 7.078E-02 I X 28.0000 6.828E-02 I X 28.5000 6.542E-02 I X 29.0000 6.222E-02 I X 29.5000 5.870E-02 I X 30.0000 5.487E-02 I X 31.0000 4.637E-02 I X 32.0000 3.689E-02 I X 33.0000 2.665E-02 I X 34.0000 1.586E-02 I X 35.0000 4.744E-03 I X 36.0000 -6.470E-03 X I 37.0000 -1.755E-02 X I 38.0000 -2.829E-02 X I 39.0000 -3.848E-02 X I 40.0000 -4.793E-02 X I 41.0000 -5.648E-02 X I 42.0000 -6.398E-02 X I 43.0000 -7.031E-02 X I 44.0000 -7.538E-02 X I 45.0000 -7.913E-02 X I 46.0000 -8.152E-02 X I 47.0000 -8.252E-02 X I 48.0000 -8.216E-02 X I 49.0000 -8.046E-02 X I 50.0000 -7.747E-02 X I 51.0000 -7.328E-02 X I 52.0000 -6.796E-02 X I 53.0000 -6.162E-02 X I 54.0000 -5.438E-02 X I 55.0000 -4.635E-02 X I 56.0000 -3.767E-02 X I 57.0000 -2.848E-02 X I 58.0000 -1.889E-02 X I 59.0000 -9.062E-03 X I 60.0000 8.871E-04 X 62.0000 2.063E-02 I X 64.0000 3.939E-02 I X 66.0000 5.633E-02 I X 68.0000 7.080E-02 I X 70.0000 8.229E-02 I X 72.0000 9.046E-02 I X 74.0000 9.517E-02 I X 76.0000 9.638E-02 I X 78.0000 9.422E-02 I X 80.0000 8.892E-02 I X 82.0000 8.079E-02 I X 84.0000 7.022E-02 I X 86.0000 5.763E-02 I X 88.0000 4.345E-02 I X 90.0000 2.815E-02 I X 92.0000 1.215E-02 I X 94.0000 -4.137E-03 X I 96.0000 -2.034E-02 X I 98.0000 -3.611E-02 X I 100.0000 -5.118E-02 X I 104.0000 -7.829E-02 X I 108.0000 -1.003E-01 X I 112.0000 -1.166E-01 X I 116.0000 -1.271E-01 X I 120.0000 -1.323E-01 X I 124.0000 -1.327E-01 X I 128.0000 -1.293E-01 X I 132.0000 -1.229E-01 X I 136.0000 -1.143E-01 X I 140.0000 -1.044E-01 X I 144.0000 -9.383E-02 X I 148.0000 -8.311E-02 X I 152.0000 -7.265E-02 X I 156.0000 -6.276E-02 X I 160.0000 -5.362E-02 X I 164.0000 -4.536E-02 X I 168.0000 -3.802E-02 X I 172.0000 -3.160E-02 X I 176.0000 -2.605E-02 X I 180.0000 -2.132E-02 X I 184.0000 -1.732E-02 X I 188.0000 -1.398E-02 X I 192.0000 -1.122E-02 X I 196.0000 -8.951E-03 X I 200.0000 -7.100E-03 X I 204.0000 -5.604E-03 X I 208.0000 -4.400E-03 X I 212.0000 -3.439E-03 XI 216.0000 -2.676E-03 XI 220.0000 -2.073E-03 XI 224.0000 -1.600E-03 XI 6h d9 5s d9 5s6h T 100231.3 91731.3 FIXEDHF 8500. HF8. 6h d9 5s d9 5s6h T 100231.3 91731.3 FIXEDHF 8500. HF 8.000 0.000 0.000 0.000 29 47.00 CONFIG=d9 5s6h d9 5s L=5 ELIM= 94783.100 N= 6 E= 91731.300HF E= -0.02781005 Z=1.0000 L=5.0000 STEP=-.1000 NUM= 12400 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 0 NUMR12225 NUMS12225 NUML12326 RS 17.642 RL 7.500 P0 0.00000000 RSCALE 7.76699029 R 15.20000000 P0 0.00000000 RSCALE 7.54076727 R 15.20000000 P0 0.00000000 RSCALE 7.32113327 R 15.10000000 P0 0.00000000 RSCALE 7.10789638 R 15.10000000 P0 0.00000000 RSCALE 6.90087028 R 15.10000000 P0 0.00000000 RSCALE 6.69987405 R 15.10000000 P0 0.00000000 RSCALE 6.50473209 R 15.10000000 P0 0.00000000 RSCALE 6.31527387 R 15.00000000 P0 0.00000000 RSCALE 6.13133386 R 15.00000000 P0 0.00000000 RSCALE 5.95275132 R 15.00000000 P0 0.00000000 RSCALE 5.77937021 R 15.00000000 P0 0.00000000 RSCALE 5.61103904 R 15.00000000 P0 0.00000000 RSCALE 5.44761072 R 15.00000000 P0 0.00000000 RSCALE 5.28894245 R 15.00000000 P0 0.00000000 RSCALE 5.13489558 R 15.00000000 P0 0.00000000 RSCALE 4.98533551 R 15.00000000 P0 0.00000000 RSCALE 4.84013157 R 15.00000000 P0 0.00000000 RSCALE 4.69915686 R 15.00000000 P0 0.00000000 RSCALE 4.56228821 R 15.00000000 P0 0.00000000 RSCALE 4.42940603 R 15.00000000 P0 0.00000000 RSCALE 4.30039421 R 15.00000000 P0 0.00000000 RSCALE 4.17514001 R 15.00000000 INWARD INTEGRATION STOPS AT 151 ORIGIN ~R**2 CNORM= 9.97052E-01 0.1000 5.514E-08 X 0.2000 2.206E-07 X 0.3000 4.963E-07 X 0.4000 8.823E-07 X 0.5000 1.379E-06 X 0.6000 1.985E-06 X 0.7000 2.702E-06 X 0.8000 3.529E-06 X 0.9000 4.466E-06 X 1.0000 5.514E-06 X 1.1000 6.672E-06 X 1.2000 7.940E-06 X 1.3000 9.319E-06 X 1.4000 1.081E-05 X 1.5000 1.241E-05 X 1.6000 1.412E-05 X 1.7000 1.594E-05 X 1.8000 1.787E-05 X 1.9000 1.991E-05 X 2.0000 2.206E-05 X 2.2000 2.669E-05 X 2.4000 3.176E-05 X 2.6000 3.728E-05 X 2.8000 4.323E-05 X 3.0000 4.963E-05 X 3.2000 5.646E-05 X 3.4000 6.374E-05 X 3.6000 7.146E-05 X 3.8000 7.962E-05 X 4.0000 8.823E-05 X 4.2000 9.727E-05 X 4.4000 1.068E-04 X 4.6000 1.167E-04 X 4.8000 1.270E-04 X 5.0000 1.379E-04 X 5.2000 1.491E-04 X 5.4000 1.608E-04 X 5.6000 1.729E-04 X 5.8000 1.855E-04 X 6.0000 1.985E-04 X 6.2000 2.120E-04 X 6.4000 2.259E-04 X 6.6000 2.402E-04 X 6.8000 2.550E-04 X 7.0000 2.702E-04 X 7.2000 2.859E-04 X 7.4000 3.020E-04 X 7.6000 3.185E-04 X 7.8000 3.355E-04 X 8.0000 3.529E-04 X 8.2000 3.708E-04 X 8.4000 3.891E-04 X 8.6000 4.078E-04 X 8.8000 4.270E-04 X 9.0000 4.466E-04 X 9.2000 4.667E-04 X 9.4000 4.872E-04 X 9.6000 5.082E-04 X 9.8000 5.296E-04 X 10.0000 5.514E-04 X 10.4000 5.964E-04 X 10.8000 6.432E-04 X 11.2000 6.917E-04 X 11.6000 7.420E-04 X 12.0000 7.940E-04 X 12.4000 8.479E-04 X 12.8000 9.034E-04 X 13.2000 9.608E-04 X 13.6000 1.020E-03 X 14.0000 1.081E-03 X 14.4000 1.143E-03 X 14.8000 1.208E-03 X 15.2000 2.848E-03 IX 15.6000 9.224E-03 I X 16.0000 1.563E-02 I X 16.4000 2.209E-02 I X 16.8000 2.861E-02 I X 17.2000 3.520E-02 I X 17.6000 4.186E-02 I X 18.0000 4.844E-02 I X 18.4000 5.485E-02 I X 18.8000 6.108E-02 I X 19.2000 6.714E-02 I X 19.6000 7.304E-02 I X 20.0000 7.877E-02 I X 20.5000 8.572E-02 I X 21.0000 9.243E-02 I X 21.5000 9.892E-02 I X 22.0000 1.052E-01 I X 22.5000 1.113E-01 I X 23.0000 1.172E-01 I X 23.5000 1.229E-01 I X 24.0000 1.284E-01 I X 24.5000 1.337E-01 I X 25.0000 1.389E-01 I X 25.5000 1.438E-01 I X 26.0000 1.486E-01 I X 26.5000 1.532E-01 I X 27.0000 1.576E-01 I X 27.5000 1.618E-01 I X 28.0000 1.658E-01 I X 28.5000 1.695E-01 I X 29.0000 1.730E-01 I X 29.5000 1.763E-01 I X 30.0000 1.794E-01 I X 31.0000 1.847E-01 I X 32.0000 1.890E-01 I X 33.0000 1.923E-01 I X 34.0000 1.946E-01 I X 35.0000 1.959E-01 I X 36.0000 1.963E-01 I X 37.0000 1.958E-01 I X 38.0000 1.944E-01 I X 39.0000 1.922E-01 I X 40.0000 1.893E-01 I X 41.0000 1.858E-01 I X 42.0000 1.816E-01 I X 43.0000 1.770E-01 I X 44.0000 1.719E-01 I X 45.0000 1.665E-01 I X 46.0000 1.608E-01 I X 47.0000 1.548E-01 I X 48.0000 1.486E-01 I X 49.0000 1.423E-01 I X 50.0000 1.360E-01 I X 51.0000 1.296E-01 I X 52.0000 1.232E-01 I X 53.0000 1.169E-01 I X 54.0000 1.107E-01 I X 55.0000 1.046E-01 I X 56.0000 9.858E-02 I X 57.0000 9.278E-02 I X 58.0000 8.715E-02 I X 59.0000 8.172E-02 I X 60.0000 7.650E-02 I X 62.0000 6.671E-02 I X 64.0000 5.780E-02 I X 66.0000 4.980E-02 I X 68.0000 4.266E-02 I X 70.0000 3.636E-02 I X 72.0000 3.084E-02 I X 74.0000 2.604E-02 I X 76.0000 2.189E-02 I X 78.0000 1.832E-02 I X 80.0000 1.528E-02 I X 82.0000 1.269E-02 I X 84.0000 1.050E-02 I X 86.0000 8.665E-03 I X 88.0000 7.124E-03 I X 90.0000 5.840E-03 I X 92.0000 4.773E-03 IX 94.0000 3.890E-03 IX 96.0000 3.161E-03 IX 98.0000 2.563E-03 IX 100.0000 2.072E-03 IX 7h d9 5s d9 5s7h U 101040.9 92540.9 FIXEDHF 8500. HF8. 7h d9 5s d9 5s7h U 101040.9 92540.9 FIXEDHF 8500. HF 8.000 0.000 0.000 0.000 30 47.00 CONFIG=d9 5s7h d9 5s L=5 ELIM= 94783.100 N= 7 E= 92540.900HF E= -0.02043243 Z=1.0000 L=5.0000 STEP=-.1000 NUM= 14700 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 1 NUMR14525 NUMS14525 NUML14626 RS 17.642 RL 7.500 P0 0.00000000 RSCALE 7.76699029 R 14.90000000 P0 0.00000000 RSCALE 7.54076727 R 14.90000000 P0 0.00000000 RSCALE 7.32113327 R 14.90000000 P0 0.00000000 RSCALE 7.10789638 R 14.90000000 P0 0.00000000 RSCALE 6.90087028 R 14.80000000 P0 0.00000000 RSCALE 6.69987405 R 14.80000000 P0 0.00000000 RSCALE 6.50473209 R 14.80000000 P0 0.00000000 RSCALE 6.31527387 R 14.80000000 P0 0.00000000 RSCALE 6.13133386 R 14.70000000 P0 0.00000000 RSCALE 5.95275132 R 14.70000000 P0 0.00000000 RSCALE 5.77937021 R 14.70000000 P0 0.00000000 RSCALE 5.61103904 R 14.70000000 P0 0.00000000 RSCALE 5.44761072 R 14.70000000 P0 0.00000000 RSCALE 5.28894245 R 14.70000000 P0 0.00000000 RSCALE 5.13489558 R 14.70000000 P0 0.00000000 RSCALE 4.98533551 R 14.70000000 P0 0.00000000 RSCALE 4.84013157 R 14.70000000 P0 0.00000000 RSCALE 4.69915686 R 14.70000000 P0 0.00000000 RSCALE 4.56228821 R 14.60000000 P0 0.00000000 RSCALE 4.42940603 R 14.60000000 P0 0.00000000 RSCALE 4.30039421 R 14.60000000 P0 0.00000000 RSCALE 4.17514001 R 14.60000000 P0 0.00000000 RSCALE 4.05353399 R 14.60000000 INWARD INTEGRATION STOPS AT 147 ORIGIN ~R**2 CNORM= 9.95275E-01 0.1000 5.650E-10 X 0.2000 2.260E-09 X 0.3000 5.085E-09 X 0.4000 9.040E-09 X 0.5000 1.412E-08 X 0.6000 2.034E-08 X 0.7000 2.768E-08 X 0.8000 3.616E-08 X 0.9000 4.576E-08 X 1.0000 5.650E-08 X 1.1000 6.836E-08 X 1.2000 8.136E-08 X 1.3000 9.548E-08 X 1.4000 1.107E-07 X 1.5000 1.271E-07 X 1.6000 1.446E-07 X 1.7000 1.633E-07 X 1.8000 1.831E-07 X 1.9000 2.040E-07 X 2.0000 2.260E-07 X 2.2000 2.735E-07 X 2.4000 3.254E-07 X 2.6000 3.819E-07 X 2.8000 4.430E-07 X 3.0000 5.085E-07 X 3.2000 5.786E-07 X 3.4000 6.531E-07 X 3.6000 7.322E-07 X 3.8000 8.159E-07 X 4.0000 9.040E-07 X 4.2000 9.967E-07 X 4.4000 1.094E-06 X 4.6000 1.196E-06 X 4.8000 1.302E-06 X 5.0000 1.412E-06 X 5.2000 1.528E-06 X 5.4000 1.648E-06 X 5.6000 1.772E-06 X 5.8000 1.901E-06 X 6.0000 2.034E-06 X 6.2000 2.172E-06 X 6.4000 2.314E-06 X 6.6000 2.461E-06 X 6.8000 2.613E-06 X 7.0000 2.768E-06 X 7.2000 2.929E-06 X 7.4000 3.094E-06 X 7.6000 3.263E-06 X 7.8000 3.437E-06 X 8.0000 3.616E-06 X 8.2000 3.799E-06 X 8.4000 3.987E-06 X 8.6000 4.179E-06 X 8.8000 4.375E-06 X 9.0000 4.576E-06 X 9.2000 4.782E-06 X 9.4000 4.992E-06 X 9.6000 5.207E-06 X 9.8000 5.426E-06 X 10.0000 5.650E-06 X 10.4000 6.111E-06 X 10.8000 6.590E-06 X 11.2000 7.087E-06 X 11.6000 7.603E-06 X 12.0000 8.136E-06 X 12.4000 8.687E-06 X 12.8000 9.257E-06 X 13.2000 9.844E-06 X 13.6000 1.045E-05 X 14.0000 1.107E-05 X 14.4000 1.172E-05 X 14.8000 1.537E-03 IX 15.2000 7.641E-03 I X 15.6000 1.377E-02 I X 16.0000 1.993E-02 I X 16.4000 2.613E-02 I X 16.8000 3.237E-02 I X 17.2000 3.865E-02 I X 17.6000 4.496E-02 I X 18.0000 5.114E-02 I X 18.4000 5.707E-02 I X 18.8000 6.276E-02 I X 19.2000 6.819E-02 I X 19.6000 7.338E-02 I X 20.0000 7.831E-02 I X 20.5000 8.413E-02 I X 21.0000 8.957E-02 I X 21.5000 9.462E-02 I X 22.0000 9.930E-02 I X 22.5000 1.036E-01 I X 23.0000 1.075E-01 I X 23.5000 1.111E-01 I X 24.0000 1.143E-01 I X 24.5000 1.171E-01 I X 25.0000 1.196E-01 I X 25.5000 1.217E-01 I X 26.0000 1.233E-01 I X 26.5000 1.246E-01 I X 27.0000 1.255E-01 I X 27.5000 1.261E-01 I X 28.0000 1.262E-01 I X 28.5000 1.259E-01 I X 29.0000 1.252E-01 I X 29.5000 1.241E-01 I X 30.0000 1.226E-01 I X 31.0000 1.185E-01 I X 32.0000 1.128E-01 I X 33.0000 1.056E-01 I X 34.0000 9.719E-02 I X 35.0000 8.752E-02 I X 36.0000 7.679E-02 I X 37.0000 6.514E-02 I X 38.0000 5.273E-02 I X 39.0000 3.971E-02 I X 40.0000 2.625E-02 I X 41.0000 1.251E-02 I X 42.0000 -1.365E-03 X 43.0000 -1.523E-02 X I 44.0000 -2.894E-02 X I 45.0000 -4.238E-02 X I 46.0000 -5.542E-02 X I 47.0000 -6.798E-02 X I 48.0000 -7.996E-02 X I 49.0000 -9.128E-02 X I 50.0000 -1.019E-01 X I 51.0000 -1.117E-01 X I 52.0000 -1.207E-01 X I 53.0000 -1.289E-01 X I 54.0000 -1.363E-01 X I 55.0000 -1.427E-01 X I 56.0000 -1.484E-01 X I 57.0000 -1.531E-01 X I 58.0000 -1.571E-01 X I 59.0000 -1.602E-01 X I 60.0000 -1.626E-01 X I 62.0000 -1.651E-01 X I 64.0000 -1.650E-01 X I 66.0000 -1.625E-01 X I 68.0000 -1.582E-01 X I 70.0000 -1.522E-01 X I 72.0000 -1.451E-01 X I 74.0000 -1.370E-01 X I 76.0000 -1.283E-01 X I 78.0000 -1.192E-01 X I 80.0000 -1.100E-01 X I 82.0000 -1.009E-01 X I 84.0000 -9.195E-02 X I 86.0000 -8.333E-02 X I 88.0000 -7.512E-02 X I 90.0000 -6.738E-02 X I 92.0000 -6.016E-02 X I 94.0000 -5.347E-02 X I 96.0000 -4.733E-02 X I 98.0000 -4.173E-02 X I 100.0000 -3.665E-02 X I 104.0000 -2.797E-02 X I 108.0000 -2.108E-02 X I 112.0000 -1.569E-02 X I 116.0000 -1.156E-02 X I 120.0000 -8.426E-03 X I 124.0000 -6.086E-03 X I 128.0000 -4.359E-03 XI 132.0000 -3.096E-03 XI 136.0000 -2.183E-03 XI 8h d9 5s d9 5s8h V 101565.9 93065.9 FIXEDHF 8500. HF8. 8h d9 5s d9 5s8h V 101565.9 93065.9 FIXEDHF 8500. HF 8.000 0.000 0.000 0.000 31 47.00 CONFIG=d9 5s8h d9 5s L=5 ELIM= 94783.100 N= 8 E= 93065.900HF E= -0.01564828 Z=1.0000 L=5.0000 STEP=-.1000 NUM= 17200 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 2 NUMR17025 NUMS17025 NUML17126 RS 17.642 RL 7.500 P0 0.00000000 RSCALE 7.76699029 R 14.80000000 P0 0.00000000 RSCALE 7.54076727 R 14.70000000 P0 0.00000000 RSCALE 7.32113327 R 14.70000000 P0 0.00000000 RSCALE 7.10789638 R 14.60000000 P0 0.00000000 RSCALE 6.90087028 R 14.60000000 P0 0.00000000 RSCALE 6.69987405 R 14.60000000 P0 0.00000000 RSCALE 6.50473209 R 14.50000000 P0 0.00000000 RSCALE 6.31527387 R 14.50000000 P0 0.00000000 RSCALE 6.13133386 R 14.50000000 P0 0.00000000 RSCALE 5.95275132 R 14.50000000 P0 0.00000000 RSCALE 5.77937021 R 14.40000000 P0 0.00000000 RSCALE 5.61103904 R 14.40000000 P0 0.00000000 RSCALE 5.44761072 R 14.40000000 P0 0.00000000 RSCALE 5.28894245 R 14.40000000 P0 0.00000000 RSCALE 5.13489558 R 14.40000000 P0 0.00000000 RSCALE 4.98533551 R 14.40000000 P0 0.00000000 RSCALE 4.84013157 R 14.40000000 P0 0.00000000 RSCALE 4.69915686 R 14.40000000 P0 0.00000000 RSCALE 4.56228821 R 14.40000000 P0 0.00000000 RSCALE 4.42940603 R 14.40000000 P0 0.00000000 RSCALE 4.30039421 R 14.40000000 P0 0.00000000 RSCALE 4.17514001 R 14.40000000 P0 0.00000000 RSCALE 4.05353399 R 14.40000000 INWARD INTEGRATION STOPS AT 145 ORIGIN ~R**2 CNORM= 9.96240E-01 0.1000 4.532E-08 X 0.2000 1.813E-07 X 0.3000 4.079E-07 X 0.4000 7.252E-07 X 0.5000 1.133E-06 X 0.6000 1.632E-06 X 0.7000 2.221E-06 X 0.8000 2.901E-06 X 0.9000 3.671E-06 X 1.0000 4.532E-06 X 1.1000 5.484E-06 X 1.2000 6.527E-06 X 1.3000 7.660E-06 X 1.4000 8.883E-06 X 1.5000 1.020E-05 X 1.6000 1.160E-05 X 1.7000 1.310E-05 X 1.8000 1.468E-05 X 1.9000 1.636E-05 X 2.0000 1.813E-05 X 2.2000 2.194E-05 X 2.4000 2.611E-05 X 2.6000 3.064E-05 X 2.8000 3.553E-05 X 3.0000 4.079E-05 X 3.2000 4.641E-05 X 3.4000 5.239E-05 X 3.6000 5.874E-05 X 3.8000 6.545E-05 X 4.0000 7.252E-05 X 4.2000 7.995E-05 X 4.4000 8.775E-05 X 4.6000 9.590E-05 X 4.8000 1.044E-04 X 5.0000 1.133E-04 X 5.2000 1.226E-04 X 5.4000 1.322E-04 X 5.6000 1.421E-04 X 5.8000 1.525E-04 X 6.0000 1.632E-04 X 6.2000 1.742E-04 X 6.4000 1.856E-04 X 6.6000 1.974E-04 X 6.8000 2.096E-04 X 7.0000 2.221E-04 X 7.2000 2.350E-04 X 7.4000 2.482E-04 X 7.6000 2.618E-04 X 7.8000 2.757E-04 X 8.0000 2.901E-04 X 8.2000 3.048E-04 X 8.4000 3.198E-04 X 8.6000 3.352E-04 X 8.8000 3.510E-04 X 9.0000 3.671E-04 X 9.2000 3.836E-04 X 9.4000 4.005E-04 X 9.6000 4.177E-04 X 9.8000 4.353E-04 X 10.0000 4.532E-04 X 10.4000 4.902E-04 X 10.8000 5.287E-04 X 11.2000 5.685E-04 X 11.6000 6.099E-04 X 12.0000 6.527E-04 X 12.4000 6.969E-04 X 12.8000 7.426E-04 X 13.2000 7.897E-04 X 13.6000 8.383E-04 X 14.0000 8.883E-04 X 14.4000 9.398E-04 X 14.8000 4.938E-03 I X 15.2000 1.026E-02 I X 15.6000 1.561E-02 I X 16.0000 2.099E-02 I X 16.4000 2.639E-02 I X 16.8000 3.181E-02 I X 17.2000 3.725E-02 I X 17.6000 4.269E-02 I X 18.0000 4.797E-02 I X 18.4000 5.298E-02 I X 18.8000 5.772E-02 I X 19.2000 6.219E-02 I X 19.6000 6.638E-02 I X 20.0000 7.029E-02 I X 20.5000 7.480E-02 I X 21.0000 7.887E-02 I X 21.5000 8.252E-02 I X 22.0000 8.573E-02 I X 22.5000 8.853E-02 I X 23.0000 9.090E-02 I X 23.5000 9.285E-02 I X 24.0000 9.438E-02 I X 24.5000 9.549E-02 I X 25.0000 9.618E-02 I X 25.5000 9.645E-02 I X 26.0000 9.630E-02 I X 26.5000 9.574E-02 I X 27.0000 9.476E-02 I X 27.5000 9.336E-02 I X 28.0000 9.157E-02 I X 28.5000 8.936E-02 I X 29.0000 8.677E-02 I X 29.5000 8.380E-02 I X 30.0000 8.045E-02 I X 31.0000 7.271E-02 I X 32.0000 6.369E-02 I X 33.0000 5.355E-02 I X 34.0000 4.248E-02 I X 35.0000 3.067E-02 I X 36.0000 1.835E-02 I X 37.0000 5.722E-03 I X 38.0000 -7.002E-03 X I 39.0000 -1.961E-02 X I 40.0000 -3.192E-02 X I 41.0000 -4.372E-02 X I 42.0000 -5.486E-02 X I 43.0000 -6.518E-02 X I 44.0000 -7.454E-02 X I 45.0000 -8.284E-02 X I 46.0000 -8.999E-02 X I 47.0000 -9.590E-02 X I 48.0000 -1.005E-01 X I 49.0000 -1.039E-01 X I 50.0000 -1.059E-01 X I 51.0000 -1.066E-01 X I 52.0000 -1.061E-01 X I 53.0000 -1.042E-01 X I 54.0000 -1.012E-01 X I 55.0000 -9.713E-02 X I 56.0000 -9.196E-02 X I 57.0000 -8.582E-02 X I 58.0000 -7.882E-02 X I 59.0000 -7.103E-02 X I 60.0000 -6.255E-02 X I 62.0000 -4.395E-02 X I 64.0000 -2.379E-02 X I 66.0000 -2.848E-03 XI 68.0000 1.819E-02 I X 70.0000 3.871E-02 I X 72.0000 5.819E-02 I X 74.0000 7.620E-02 I X 76.0000 9.242E-02 I X 78.0000 1.066E-01 I X 80.0000 1.187E-01 I X 82.0000 1.285E-01 I X 84.0000 1.362E-01 I X 86.0000 1.417E-01 I X 88.0000 1.452E-01 I X 90.0000 1.468E-01 I X 92.0000 1.468E-01 I X 94.0000 1.453E-01 I X 96.0000 1.424E-01 I X 98.0000 1.385E-01 I X 100.0000 1.337E-01 I X 104.0000 1.220E-01 I X 108.0000 1.088E-01 I X 112.0000 9.495E-02 I X 116.0000 8.140E-02 I X 120.0000 6.866E-02 I X 124.0000 5.708E-02 I X 128.0000 4.683E-02 I X 132.0000 3.796E-02 I X 136.0000 3.043E-02 I X 140.0000 2.415E-02 I X 144.0000 1.899E-02 I X 148.0000 1.480E-02 I X 152.0000 1.145E-02 I X 156.0000 8.783E-03 I X 160.0000 6.693E-03 I X 164.0000 5.066E-03 I X 168.0000 3.811E-03 IX 172.0000 2.850E-03 IX 176.0000 2.119E-03 IX 180.0000 1.568E-03 IX 9h d9 5s d9 5s9h W 101926.6 93426.6 FIXEDHF 8500. HF8. 9h d9 5s d9 5s9h W 101926.6 93426.6 FIXEDHF 8500. HF 8.000 0.000 0.000 0.000 32 47.00 CONFIG=d9 5s9h d9 5s L=5 ELIM= 94783.100 N= 9 E= 93426.600HF E= -0.01236134 Z=1.0000 L=5.0000 STEP=-.1000 NUM= 19700 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 3 NUMR19525 NUMS19525 NUML19626 RS 17.642 RL 7.500 P0 0.00000000 RSCALE 7.76699029 R 14.70000000 P0 0.00000000 RSCALE 7.54076727 R 14.60000000 P0 0.00000000 RSCALE 7.32113327 R 14.60000000 P0 0.00000000 RSCALE 7.10789638 R 14.50000000 P0 0.00000000 RSCALE 6.90087028 R 14.50000000 P0 0.00000000 RSCALE 6.69987405 R 14.40000000 P0 0.00000000 RSCALE 6.50473209 R 14.40000000 P0 0.00000000 RSCALE 6.31527387 R 14.40000000 P0 0.00000000 RSCALE 6.13133386 R 14.30000000 P0 0.00000000 RSCALE 5.95275132 R 14.30000000 P0 0.00000000 RSCALE 5.77937021 R 14.30000000 P0 0.00000000 RSCALE 5.61103904 R 14.30000000 P0 0.00000000 RSCALE 5.44761072 R 14.30000000 P0 0.00000000 RSCALE 5.28894245 R 14.20000000 P0 0.00000000 RSCALE 5.13489558 R 14.20000000 P0 0.00000000 RSCALE 4.98533551 R 14.20000000 P0 0.00000000 RSCALE 4.84013157 R 14.20000000 P0 0.00000000 RSCALE 4.69915686 R 14.20000000 P0 0.00000000 RSCALE 4.56228821 R 14.20000000 P0 0.00000000 RSCALE 4.42940603 R 14.20000000 P0 0.00000000 RSCALE 4.30039421 R 14.20000000 P0 0.00000000 RSCALE 4.17514001 R 14.20000000 P0 0.00000000 RSCALE 4.05353399 R 14.20000000 P0 0.00000000 RSCALE 3.93546989 R 14.20000000 INWARD INTEGRATION STOPS AT 143 ORIGIN ~R**2 CNORM= 9.97208E-01 0.1000 2.056E-08 X 0.2000 8.223E-08 X 0.3000 1.850E-07 X 0.4000 3.289E-07 X 0.5000 5.139E-07 X 0.6000 7.401E-07 X 0.7000 1.007E-06 X 0.8000 1.316E-06 X 0.9000 1.665E-06 X 1.0000 2.056E-06 X 1.1000 2.487E-06 X 1.2000 2.960E-06 X 1.3000 3.474E-06 X 1.4000 4.029E-06 X 1.5000 4.625E-06 X 1.6000 5.263E-06 X 1.7000 5.941E-06 X 1.8000 6.661E-06 X 1.9000 7.421E-06 X 2.0000 8.223E-06 X 2.2000 9.950E-06 X 2.4000 1.184E-05 X 2.6000 1.390E-05 X 2.8000 1.612E-05 X 3.0000 1.850E-05 X 3.2000 2.105E-05 X 3.4000 2.376E-05 X 3.6000 2.664E-05 X 3.8000 2.968E-05 X 4.0000 3.289E-05 X 4.2000 3.626E-05 X 4.4000 3.980E-05 X 4.6000 4.350E-05 X 4.8000 4.736E-05 X 5.0000 5.139E-05 X 5.2000 5.559E-05 X 5.4000 5.994E-05 X 5.6000 6.447E-05 X 5.8000 6.915E-05 X 6.0000 7.401E-05 X 6.2000 7.902E-05 X 6.4000 8.420E-05 X 6.6000 8.955E-05 X 6.8000 9.506E-05 X 7.0000 1.007E-04 X 7.2000 1.066E-04 X 7.4000 1.126E-04 X 7.6000 1.187E-04 X 7.8000 1.251E-04 X 8.0000 1.316E-04 X 8.2000 1.382E-04 X 8.4000 1.451E-04 X 8.6000 1.520E-04 X 8.8000 1.592E-04 X 9.0000 1.665E-04 X 9.2000 1.740E-04 X 9.4000 1.816E-04 X 9.6000 1.895E-04 X 9.8000 1.974E-04 X 10.0000 2.056E-04 X 10.4000 2.223E-04 X 10.8000 2.398E-04 X 11.2000 2.579E-04 X 11.6000 2.766E-04 X 12.0000 2.960E-04 X 12.4000 3.161E-04 X 12.8000 3.368E-04 X 13.2000 3.582E-04 X 13.6000 3.802E-04 X 14.0000 4.029E-04 X 14.4000 1.564E-03 IX 14.8000 6.142E-03 I X 15.2000 1.073E-02 I X 15.6000 1.534E-02 I X 16.0000 1.997E-02 I X 16.4000 2.461E-02 I X 16.8000 2.926E-02 I X 17.2000 3.391E-02 I X 17.6000 3.854E-02 I X 18.0000 4.301E-02 I X 18.4000 4.722E-02 I X 18.8000 5.116E-02 I X 19.2000 5.483E-02 I X 19.6000 5.822E-02 I X 20.0000 6.135E-02 I X 20.5000 6.487E-02 I X 21.0000 6.796E-02 I X 21.5000 7.063E-02 I X 22.0000 7.287E-02 I X 22.5000 7.470E-02 I X 23.0000 7.611E-02 I X 23.5000 7.710E-02 I X 24.0000 7.768E-02 I X 24.5000 7.785E-02 I X 25.0000 7.761E-02 I X 25.5000 7.697E-02 I X 26.0000 7.593E-02 I X 26.5000 7.451E-02 I X 27.0000 7.269E-02 I X 27.5000 7.051E-02 I X 28.0000 6.795E-02 I X 28.5000 6.505E-02 I X 29.0000 6.180E-02 I X 29.5000 5.823E-02 I X 30.0000 5.436E-02 I X 31.0000 4.578E-02 I X 32.0000 3.624E-02 I X 33.0000 2.595E-02 I X 34.0000 1.513E-02 I X 35.0000 3.988E-03 I X 36.0000 -7.230E-03 X I 37.0000 -1.830E-02 X I 38.0000 -2.902E-02 X I 39.0000 -3.917E-02 X I 40.0000 -4.857E-02 X I 41.0000 -5.705E-02 X I 42.0000 -6.448E-02 X I 43.0000 -7.073E-02 X I 44.0000 -7.571E-02 X I 45.0000 -7.937E-02 X I 46.0000 -8.166E-02 X I 47.0000 -8.256E-02 X I 48.0000 -8.210E-02 X I 49.0000 -8.030E-02 X I 50.0000 -7.722E-02 X I 51.0000 -7.294E-02 X I 52.0000 -6.754E-02 X I 53.0000 -6.112E-02 X I 54.0000 -5.381E-02 X I 55.0000 -4.573E-02 X I 56.0000 -3.700E-02 X I 57.0000 -2.776E-02 X I 58.0000 -1.815E-02 X I 59.0000 -8.293E-03 X I 60.0000 1.667E-03 IX 62.0000 2.140E-02 I X 64.0000 4.012E-02 I X 66.0000 5.699E-02 I X 68.0000 7.135E-02 I X 70.0000 8.271E-02 I X 72.0000 9.075E-02 I X 74.0000 9.531E-02 I X 76.0000 9.637E-02 I X 78.0000 9.407E-02 I X 80.0000 8.864E-02 I X 82.0000 8.039E-02 I X 84.0000 6.970E-02 I X 86.0000 5.702E-02 I X 88.0000 4.278E-02 I X 90.0000 2.742E-02 I X 92.0000 1.138E-02 I X 94.0000 -4.918E-03 X I 96.0000 -2.112E-02 X I 98.0000 -3.688E-02 X I 100.0000 -5.191E-02 X I 104.0000 -7.893E-02 X I 108.0000 -1.008E-01 X I 112.0000 -1.170E-01 X I 116.0000 -1.274E-01 X I 120.0000 -1.324E-01 X I 124.0000 -1.327E-01 X I 128.0000 -1.292E-01 X I 132.0000 -1.227E-01 X I 136.0000 -1.141E-01 X I 140.0000 -1.041E-01 X I 144.0000 -9.353E-02 X I 148.0000 -8.280E-02 X I 152.0000 -7.235E-02 X I 156.0000 -6.247E-02 X I 160.0000 -5.336E-02 X I 164.0000 -4.512E-02 X I 168.0000 -3.780E-02 X I 172.0000 -3.141E-02 X I 176.0000 -2.588E-02 X I 180.0000 -2.117E-02 X I 184.0000 -1.720E-02 X I 188.0000 -1.388E-02 X I 192.0000 -1.113E-02 X I 196.0000 -8.879E-03 X I 200.0000 -7.041E-03 X I 204.0000 -5.555E-03 X I 208.0000 -4.361E-03 X I 212.0000 -3.408E-03 XI 216.0000 -2.651E-03 XI 220.0000 -2.053E-03 XI 224.0000 -1.584E-03 XI 8k d10 d10 8k X 59382.9 54382.9 FIXEDHF 5000. HF8. 8k d10 d10 8k X 59382.9 54382.9 FIXEDHF 5000. HF 8.000 0.000 0.000 0.000 33 47.00 CONFIG=d10 8k d10 L=7 ELIM= 56099.000 N= 8 E= 54382.900HF E= -0.01563825 Z=1.0000 L=7.0000 STEP=-.1000 NUM= 17000 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 0 NUMR16825 NUMS16825 NUML16861 RS 17.642 RL 14.000 INWARD INTEGRATION STOPS AT 205 ORIGIN ~R**2 CNORM= 1.00412E+00 0.1000 2.578E-07 X 0.2000 1.031E-06 X 0.3000 2.320E-06 X 0.4000 4.125E-06 X 0.5000 6.446E-06 X 0.6000 9.282E-06 X 0.7000 1.263E-05 X 0.8000 1.650E-05 X 0.9000 2.088E-05 X 1.0000 2.578E-05 X 1.1000 3.120E-05 X 1.2000 3.713E-05 X 1.3000 4.357E-05 X 1.4000 5.053E-05 X 1.5000 5.801E-05 X 1.6000 6.600E-05 X 1.7000 7.451E-05 X 1.8000 8.354E-05 X 1.9000 9.308E-05 X 2.0000 1.031E-04 X 2.2000 1.248E-04 X 2.4000 1.485E-04 X 2.6000 1.743E-04 X 2.8000 2.021E-04 X 3.0000 2.320E-04 X 3.2000 2.640E-04 X 3.4000 2.980E-04 X 3.6000 3.341E-04 X 3.8000 3.723E-04 X 4.0000 4.125E-04 X 4.2000 4.548E-04 X 4.4000 4.992E-04 X 4.6000 5.456E-04 X 4.8000 5.940E-04 X 5.0000 6.446E-04 X 5.2000 6.972E-04 X 5.4000 7.518E-04 X 5.6000 8.085E-04 X 5.8000 8.673E-04 X 6.0000 9.282E-04 X 6.2000 9.911E-04 X 6.4000 1.056E-03 X 6.6000 1.123E-03 X 6.8000 1.192E-03 X 7.0000 1.263E-03 X 7.2000 1.337E-03 X 7.4000 1.412E-03 X 7.6000 1.489E-03 IX 7.8000 1.569E-03 IX 8.0000 1.650E-03 IX 8.2000 1.734E-03 IX 8.4000 1.819E-03 IX 8.6000 1.907E-03 IX 8.8000 1.997E-03 IX 9.0000 2.088E-03 IX 9.2000 2.182E-03 IX 9.4000 2.278E-03 IX 9.6000 2.376E-03 IX 9.8000 2.476E-03 IX 10.0000 2.578E-03 IX 10.4000 2.789E-03 IX 10.8000 3.007E-03 IX 11.2000 3.234E-03 IX 11.6000 3.469E-03 IX 12.0000 3.713E-03 IX 12.4000 3.964E-03 IX 12.8000 4.224E-03 IX 13.2000 4.492E-03 I X 13.6000 4.769E-03 I X 14.0000 5.053E-03 I X 14.4000 5.346E-03 I X 14.8000 5.647E-03 I X 15.2000 5.957E-03 I X 15.6000 6.274E-03 I X 16.0000 6.600E-03 I X 16.4000 6.935E-03 I X 16.8000 7.277E-03 I X 17.2000 7.628E-03 I X 17.6000 7.986E-03 I X 18.0000 8.354E-03 I X 18.4000 8.729E-03 I X 18.8000 9.113E-03 I X 19.2000 9.505E-03 I X 19.6000 9.905E-03 I X 20.0000 1.031E-02 I X 20.5000 1.084E-02 I X 21.0000 1.091E-02 I X 21.5000 1.108E-02 I X 22.0000 1.135E-02 I X 22.5000 1.172E-02 I X 23.0000 1.219E-02 I X 23.5000 1.274E-02 I X 24.0000 1.339E-02 I X 24.5000 1.413E-02 I X 25.0000 1.497E-02 I X 25.5000 1.589E-02 I X 26.0000 1.690E-02 I X 26.5000 1.800E-02 I X 27.0000 1.919E-02 I X 27.5000 2.047E-02 I X 28.0000 2.183E-02 I X 28.5000 2.328E-02 I X 29.0000 2.481E-02 I X 29.5000 2.643E-02 I X 30.0000 2.812E-02 I X 31.0000 3.175E-02 I X 32.0000 3.567E-02 I X 33.0000 3.987E-02 I X 34.0000 4.433E-02 I X 35.0000 4.902E-02 I X 36.0000 5.392E-02 I X 37.0000 5.900E-02 I X 38.0000 6.422E-02 I X 39.0000 6.956E-02 I X 40.0000 7.498E-02 I X 41.0000 8.044E-02 I X 42.0000 8.592E-02 I X 43.0000 9.138E-02 I X 44.0000 9.679E-02 I X 45.0000 1.021E-01 I X 46.0000 1.073E-01 I X 47.0000 1.124E-01 I X 48.0000 1.172E-01 I X 49.0000 1.219E-01 I X 50.0000 1.264E-01 I X 51.0000 1.306E-01 I X 52.0000 1.345E-01 I X 53.0000 1.382E-01 I X 54.0000 1.415E-01 I X 55.0000 1.446E-01 I X 56.0000 1.473E-01 I X 57.0000 1.497E-01 I X 58.0000 1.518E-01 I X 59.0000 1.535E-01 I X 60.0000 1.549E-01 I X 62.0000 1.567E-01 I X 64.0000 1.572E-01 I X 66.0000 1.565E-01 I X 68.0000 1.547E-01 I X 70.0000 1.519E-01 I X 72.0000 1.481E-01 I X 74.0000 1.436E-01 I X 76.0000 1.383E-01 I X 78.0000 1.326E-01 I X 80.0000 1.264E-01 I X 82.0000 1.199E-01 I X 84.0000 1.132E-01 I X 86.0000 1.064E-01 I X 88.0000 9.952E-02 I X 90.0000 9.274E-02 I X 92.0000 8.609E-02 I X 94.0000 7.961E-02 I X 96.0000 7.335E-02 I X 98.0000 6.735E-02 I X 100.0000 6.164E-02 I X 104.0000 5.114E-02 I X 108.0000 4.193E-02 I X 112.0000 3.400E-02 I X 116.0000 2.730E-02 I X 120.0000 2.171E-02 I X 124.0000 1.711E-02 I X 128.0000 1.337E-02 I X 132.0000 1.037E-02 I X 136.0000 7.982E-03 I X 140.0000 6.103E-03 I X 144.0000 4.636E-03 I X 148.0000 3.499E-03 IX 152.0000 2.626E-03 IX 156.0000 1.960E-03 IX 9k d10 d10 9k Y 59743.2 54743.2 FIXEDHF 5000. HF8. 9k d10 d10 9k Y 59743.2 54743.2 FIXEDHF 5000. HF 8.000 0.000 0.000 0.000 34 47.00 CONFIG=d10 9k d10 L=7 ELIM= 56099.000 N= 9 E= 54743.200HF E= -0.01235496 Z=1.0000 L=7.0000 STEP=-.1000 NUM= 19600 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 1 NUMR19425 NUMS19425 NUML19461 RS 17.642 RL 14.000 P0 0.00000000 RSCALE 7.76699029 R 17.30000000 P0 0.00000000 RSCALE 7.54076727 R 17.30000000 P0 0.00000000 RSCALE 7.32113327 R 17.30000000 P0 0.00000000 RSCALE 7.10789638 R 17.30000000 P0 0.00000000 RSCALE 6.90087028 R 17.30000000 P0 0.00000000 RSCALE 6.69987405 R 17.40000000 P0 0.00000000 RSCALE 6.50473209 R 17.40000000 P0 0.00000000 RSCALE 6.31527387 R 17.40000000 P0 0.00000000 RSCALE 6.13133386 R 17.40000000 P0 0.00000000 RSCALE 5.95275132 R 17.40000000 P0 0.00000000 RSCALE 5.77937021 R 17.40000000 P0 0.00000000 RSCALE 5.61103904 R 17.40000000 P0 0.00000000 RSCALE 5.44761072 R 17.40000000 P0 0.00000000 RSCALE 5.28894245 R 17.40000000 P0 0.00000000 RSCALE 5.13489558 R 17.40000000 P0 0.00000000 RSCALE 4.98533551 R 17.40000000 P0 0.00000000 RSCALE 4.84013157 R 17.40000000 INWARD INTEGRATION STOPS AT 174 ORIGIN ~R**2 CNORM= 1.00192E+00 0.1000 2.393E-07 X 0.2000 9.570E-07 X 0.3000 2.153E-06 X 0.4000 3.828E-06 X 0.5000 5.981E-06 X 0.6000 8.613E-06 X 0.7000 1.172E-05 X 0.8000 1.531E-05 X 0.9000 1.938E-05 X 1.0000 2.393E-05 X 1.1000 2.895E-05 X 1.2000 3.445E-05 X 1.3000 4.043E-05 X 1.4000 4.689E-05 X 1.5000 5.383E-05 X 1.6000 6.125E-05 X 1.7000 6.914E-05 X 1.8000 7.752E-05 X 1.9000 8.637E-05 X 2.0000 9.570E-05 X 2.2000 1.158E-04 X 2.4000 1.378E-04 X 2.6000 1.617E-04 X 2.8000 1.876E-04 X 3.0000 2.153E-04 X 3.2000 2.450E-04 X 3.4000 2.766E-04 X 3.6000 3.101E-04 X 3.8000 3.455E-04 X 4.0000 3.828E-04 X 4.2000 4.220E-04 X 4.4000 4.632E-04 X 4.6000 5.063E-04 X 4.8000 5.512E-04 X 5.0000 5.981E-04 X 5.2000 6.469E-04 X 5.4000 6.977E-04 X 5.6000 7.503E-04 X 5.8000 8.048E-04 X 6.0000 8.613E-04 X 6.2000 9.197E-04 X 6.4000 9.800E-04 X 6.6000 1.042E-03 X 6.8000 1.106E-03 X 7.0000 1.172E-03 X 7.2000 1.240E-03 IX 7.4000 1.310E-03 IX 7.6000 1.382E-03 IX 7.8000 1.456E-03 IX 8.0000 1.531E-03 IX 8.2000 1.609E-03 IX 8.4000 1.688E-03 IX 8.6000 1.769E-03 IX 8.8000 1.853E-03 IX 9.0000 1.938E-03 IX 9.2000 2.025E-03 IX 9.4000 2.114E-03 IX 9.6000 2.205E-03 IX 9.8000 2.298E-03 IX 10.0000 2.393E-03 IX 10.4000 2.588E-03 IX 10.8000 2.791E-03 IX 11.2000 3.001E-03 IX 11.6000 3.219E-03 IX 12.0000 3.445E-03 IX 12.4000 3.679E-03 I X 12.8000 3.920E-03 I X 13.2000 4.169E-03 I X 13.6000 4.425E-03 I X 14.0000 4.689E-03 I X 14.4000 4.961E-03 I X 14.8000 5.241E-03 I X 15.2000 5.528E-03 I X 15.6000 5.822E-03 I X 16.0000 6.125E-03 I X 16.4000 6.435E-03 I X 16.8000 6.753E-03 I X 17.2000 7.078E-03 I X 17.6000 7.253E-03 I X 18.0000 7.313E-03 I X 18.4000 7.423E-03 I X 18.8000 7.582E-03 I X 19.2000 7.790E-03 I X 19.6000 8.047E-03 I X 20.0000 8.354E-03 I X 20.5000 8.806E-03 I X 21.0000 9.338E-03 I X 21.5000 9.948E-03 I X 22.0000 1.064E-02 I X 22.5000 1.141E-02 I X 23.0000 1.227E-02 I X 23.5000 1.320E-02 I X 24.0000 1.423E-02 I X 24.5000 1.534E-02 I X 25.0000 1.653E-02 I X 25.5000 1.781E-02 I X 26.0000 1.918E-02 I X 26.5000 2.063E-02 I X 27.0000 2.217E-02 I X 27.5000 2.379E-02 I X 28.0000 2.549E-02 I X 28.5000 2.727E-02 I X 29.0000 2.913E-02 I X 29.5000 3.105E-02 I X 30.0000 3.305E-02 I X 31.0000 3.724E-02 I X 32.0000 4.165E-02 I X 33.0000 4.625E-02 I X 34.0000 5.100E-02 I X 35.0000 5.585E-02 I X 36.0000 6.075E-02 I X 37.0000 6.566E-02 I X 38.0000 7.051E-02 I X 39.0000 7.525E-02 I X 40.0000 7.983E-02 I X 41.0000 8.421E-02 I X 42.0000 8.832E-02 I X 43.0000 9.212E-02 I X 44.0000 9.557E-02 I X 45.0000 9.862E-02 I X 46.0000 1.012E-01 I X 47.0000 1.034E-01 I X 48.0000 1.050E-01 I X 49.0000 1.061E-01 I X 50.0000 1.067E-01 I X 51.0000 1.067E-01 I X 52.0000 1.061E-01 I X 53.0000 1.050E-01 I X 54.0000 1.033E-01 I X 55.0000 1.010E-01 I X 56.0000 9.821E-02 I X 57.0000 9.485E-02 I X 58.0000 9.096E-02 I X 59.0000 8.658E-02 I X 60.0000 8.172E-02 I X 62.0000 7.072E-02 I X 64.0000 5.820E-02 I X 66.0000 4.448E-02 I X 68.0000 2.984E-02 I X 70.0000 1.462E-02 I X 72.0000 -8.849E-04 X 74.0000 -1.638E-02 X I 76.0000 -3.158E-02 X I 78.0000 -4.624E-02 X I 80.0000 -6.016E-02 X I 82.0000 -7.313E-02 X I 84.0000 -8.503E-02 X I 86.0000 -9.574E-02 X I 88.0000 -1.052E-01 X I 90.0000 -1.133E-01 X I 92.0000 -1.201E-01 X I 94.0000 -1.255E-01 X I 96.0000 -1.297E-01 X I 98.0000 -1.326E-01 X I 100.0000 -1.343E-01 X I 104.0000 -1.346E-01 X I 108.0000 -1.312E-01 X I 112.0000 -1.249E-01 X I 116.0000 -1.166E-01 X I 120.0000 -1.069E-01 X I 124.0000 -9.646E-02 X I 128.0000 -8.582E-02 X I 132.0000 -7.538E-02 X I 136.0000 -6.543E-02 X I 140.0000 -5.619E-02 X I 144.0000 -4.777E-02 X I 148.0000 -4.024E-02 X I 152.0000 -3.360E-02 X I 156.0000 -2.784E-02 X I 160.0000 -2.289E-02 X I 164.0000 -1.869E-02 X I 168.0000 -1.516E-02 X I 172.0000 -1.222E-02 X I 176.0000 -9.787E-03 X I 180.0000 -7.798E-03 X I 184.0000 -6.180E-03 X I 188.0000 -4.873E-03 X I 192.0000 -3.824E-03 X I 196.0000 -2.987E-03 XI 200.0000 -2.323E-03 XI 204.0000 -1.799E-03 XI 208.0000 -1.388E-03 XI 8k d9 5s d9 5s8k Z 101566.0 93066.0 FIXEDHF 8500. HF8. 8k d9 5s d9 5s8k Z 101566.0 93066.0 FIXEDHF 8500. HF 8.000 0.000 0.000 0.000 35 47.00 CONFIG=d9 5s8k d9 5s L=7 ELIM= 94783.100 N= 8 E= 93066.000HF E= -0.01564737 Z=1.0000 L=7.0000 STEP=-.1000 NUM= 17000 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 0 NUMR16825 NUMS16825 NUML16861 RS 17.642 RL 14.000 INWARD INTEGRATION STOPS AT 219 ORIGIN ~R**2 CNORM= 1.00660E+00 0.1000 3.176E-07 X 0.2000 1.270E-06 X 0.3000 2.858E-06 X 0.4000 5.081E-06 X 0.5000 7.939E-06 X 0.6000 1.143E-05 X 0.7000 1.556E-05 X 0.8000 2.033E-05 X 0.9000 2.572E-05 X 1.0000 3.176E-05 X 1.1000 3.843E-05 X 1.2000 4.573E-05 X 1.3000 5.367E-05 X 1.4000 6.225E-05 X 1.5000 7.146E-05 X 1.6000 8.130E-05 X 1.7000 9.178E-05 X 1.8000 1.029E-04 X 1.9000 1.146E-04 X 2.0000 1.270E-04 X 2.2000 1.537E-04 X 2.4000 1.829E-04 X 2.6000 2.147E-04 X 2.8000 2.490E-04 X 3.0000 2.858E-04 X 3.2000 3.252E-04 X 3.4000 3.671E-04 X 3.6000 4.116E-04 X 3.8000 4.586E-04 X 4.0000 5.081E-04 X 4.2000 5.602E-04 X 4.4000 6.148E-04 X 4.6000 6.720E-04 X 4.8000 7.317E-04 X 5.0000 7.939E-04 X 5.2000 8.587E-04 X 5.4000 9.261E-04 X 5.6000 9.959E-04 X 5.8000 1.068E-03 X 6.0000 1.143E-03 X 6.2000 1.221E-03 X 6.4000 1.301E-03 X 6.6000 1.383E-03 X 6.8000 1.468E-03 IX 7.0000 1.556E-03 IX 7.2000 1.646E-03 IX 7.4000 1.739E-03 IX 7.6000 1.834E-03 IX 7.8000 1.932E-03 IX 8.0000 2.033E-03 IX 8.2000 2.135E-03 IX 8.4000 2.241E-03 IX 8.6000 2.349E-03 IX 8.8000 2.459E-03 IX 9.0000 2.572E-03 IX 9.2000 2.688E-03 IX 9.4000 2.806E-03 IX 9.6000 2.927E-03 IX 9.8000 3.050E-03 IX 10.0000 3.176E-03 IX 10.4000 3.435E-03 IX 10.8000 3.704E-03 IX 11.2000 3.984E-03 IX 11.6000 4.273E-03 IX 12.0000 4.573E-03 I X 12.4000 4.883E-03 I X 12.8000 5.203E-03 I X 13.2000 5.534E-03 I X 13.6000 5.874E-03 I X 14.0000 6.225E-03 I X 14.4000 6.585E-03 I X 14.8000 6.956E-03 I X 15.2000 7.337E-03 I X 15.6000 7.729E-03 I X 16.0000 8.130E-03 I X 16.4000 8.542E-03 I X 16.8000 8.963E-03 I X 17.2000 9.395E-03 I X 17.6000 9.837E-03 I X 18.0000 1.029E-02 I X 18.4000 1.075E-02 I X 18.8000 1.122E-02 I X 19.2000 1.171E-02 I X 19.6000 1.220E-02 I X 20.0000 1.270E-02 I X 20.5000 1.335E-02 I X 21.0000 1.401E-02 I X 21.5000 1.468E-02 I X 22.0000 1.523E-02 I X 22.5000 1.533E-02 I X 23.0000 1.555E-02 I X 23.5000 1.588E-02 I X 24.0000 1.633E-02 I X 24.5000 1.690E-02 I X 25.0000 1.757E-02 I X 25.5000 1.835E-02 I X 26.0000 1.923E-02 I X 26.5000 2.021E-02 I X 27.0000 2.129E-02 I X 27.5000 2.247E-02 I X 28.0000 2.375E-02 I X 28.5000 2.512E-02 I X 29.0000 2.658E-02 I X 29.5000 2.812E-02 I X 30.0000 2.976E-02 I X 31.0000 3.327E-02 I X 32.0000 3.709E-02 I X 33.0000 4.121E-02 I X 34.0000 4.559E-02 I X 35.0000 5.021E-02 I X 36.0000 5.505E-02 I X 37.0000 6.006E-02 I X 38.0000 6.523E-02 I X 39.0000 7.051E-02 I X 40.0000 7.587E-02 I X 41.0000 8.129E-02 I X 42.0000 8.672E-02 I X 43.0000 9.213E-02 I X 44.0000 9.748E-02 I X 45.0000 1.028E-01 I X 46.0000 1.079E-01 I X 47.0000 1.129E-01 I X 48.0000 1.177E-01 I X 49.0000 1.224E-01 I X 50.0000 1.268E-01 I X 51.0000 1.309E-01 I X 52.0000 1.348E-01 I X 53.0000 1.384E-01 I X 54.0000 1.417E-01 I X 55.0000 1.447E-01 I X 56.0000 1.474E-01 I X 57.0000 1.498E-01 I X 58.0000 1.518E-01 I X 59.0000 1.535E-01 I X 60.0000 1.548E-01 I X 62.0000 1.566E-01 I X 64.0000 1.570E-01 I X 66.0000 1.563E-01 I X 68.0000 1.544E-01 I X 70.0000 1.515E-01 I X 72.0000 1.477E-01 I X 74.0000 1.431E-01 I X 76.0000 1.379E-01 I X 78.0000 1.321E-01 I X 80.0000 1.259E-01 I X 82.0000 1.194E-01 I X 84.0000 1.127E-01 I X 86.0000 1.059E-01 I X 88.0000 9.906E-02 I X 90.0000 9.229E-02 I X 92.0000 8.565E-02 I X 94.0000 7.919E-02 I X 96.0000 7.295E-02 I X 98.0000 6.698E-02 I X 100.0000 6.128E-02 I X 104.0000 5.083E-02 I X 108.0000 4.166E-02 I X 112.0000 3.377E-02 I X 116.0000 2.710E-02 I X 120.0000 2.155E-02 I X 124.0000 1.698E-02 I X 128.0000 1.326E-02 I X 132.0000 1.028E-02 I X 136.0000 7.915E-03 I X 140.0000 6.050E-03 I X 144.0000 4.594E-03 I X 148.0000 3.467E-03 IX 152.0000 2.601E-03 IX 156.0000 1.941E-03 IX 9k d9 5s d9 5s9k a 101926.4 93426.4 FIXEDHF 8500. HF8. 9k d9 5s d9 5s9k a 101926.4 93426.4 FIXEDHF 8500. HF 8.000 0.000 0.000 0.000 36 47.00 CONFIG=d9 5s9k d9 5s L=7 ELIM= 94783.100 N= 9 E= 93426.400HF E= -0.01236316 Z=1.0000 L=7.0000 STEP=-.1000 NUM= 19500 NSAVE=10000 IRREG=0 IFITER=99 NNODES= 1 NUMR19325 NUMS19325 NUML19361 RS 17.642 RL 14.000 INWARD INTEGRATION STOPS AT 196 ORIGIN ~R**2 CNORM= 1.00306E+00 0.1000 3.146E-07 X 0.2000 1.258E-06 X 0.3000 2.831E-06 X 0.4000 5.033E-06 X 0.5000 7.864E-06 X 0.6000 1.132E-05 X 0.7000 1.541E-05 X 0.8000 2.013E-05 X 0.9000 2.548E-05 X 1.0000 3.146E-05 X 1.1000 3.806E-05 X 1.2000 4.530E-05 X 1.3000 5.316E-05 X 1.4000 6.165E-05 X 1.5000 7.077E-05 X 1.6000 8.053E-05 X 1.7000 9.091E-05 X 1.8000 1.019E-04 X 1.9000 1.136E-04 X 2.0000 1.258E-04 X 2.2000 1.522E-04 X 2.4000 1.812E-04 X 2.6000 2.126E-04 X 2.8000 2.466E-04 X 3.0000 2.831E-04 X 3.2000 3.221E-04 X 3.4000 3.636E-04 X 3.6000 4.077E-04 X 3.8000 4.542E-04 X 4.0000 5.033E-04 X 4.2000 5.549E-04 X 4.4000 6.090E-04 X 4.6000 6.656E-04 X 4.8000 7.247E-04 X 5.0000 7.864E-04 X 5.2000 8.505E-04 X 5.4000 9.172E-04 X 5.6000 9.864E-04 X 5.8000 1.058E-03 X 6.0000 1.132E-03 X 6.2000 1.209E-03 X 6.4000 1.288E-03 IX 6.6000 1.370E-03 IX 6.8000 1.454E-03 IX 7.0000 1.541E-03 IX 7.2000 1.631E-03 IX 7.4000 1.722E-03 IX 7.6000 1.817E-03 IX 7.8000 1.914E-03 IX 8.0000 2.013E-03 IX 8.2000 2.115E-03 IX 8.4000 2.219E-03 IX 8.6000 2.326E-03 IX 8.8000 2.436E-03 IX 9.0000 2.548E-03 IX 9.2000 2.662E-03 IX 9.4000 2.779E-03 IX 9.6000 2.899E-03 IX 9.8000 3.021E-03 IX 10.0000 3.146E-03 IX 10.4000 3.402E-03 IX 10.8000 3.669E-03 I X 11.2000 3.946E-03 I X 11.6000 4.233E-03 I X 12.0000 4.530E-03 I X 12.4000 4.837E-03 I X 12.8000 5.154E-03 I X 13.2000 5.481E-03 I X 13.6000 5.818E-03 I X 14.0000 6.165E-03 I X 14.4000 6.523E-03 I X 14.8000 6.890E-03 I X 15.2000 7.267E-03 I X 15.6000 7.655E-03 I X 16.0000 8.053E-03 I X 16.4000 8.460E-03 I X 16.8000 8.878E-03 I X 17.2000 9.306E-03 I X 17.6000 9.744E-03 I X 18.0000 1.019E-02 I X 18.4000 1.065E-02 I X 18.8000 1.112E-02 I X 19.2000 1.160E-02 I X 19.6000 1.208E-02 I X 20.0000 1.214E-02 I X 20.5000 1.230E-02 I X 21.0000 1.258E-02 I X 21.5000 1.296E-02 I X 22.0000 1.345E-02 I X 22.5000 1.404E-02 I X 23.0000 1.473E-02 I X 23.5000 1.553E-02 I X 24.0000 1.642E-02 I X 24.5000 1.741E-02 I X 25.0000 1.850E-02 I X 25.5000 1.968E-02 I X 26.0000 2.096E-02 I X 26.5000 2.234E-02 I X 27.0000 2.380E-02 I X 27.5000 2.536E-02 I X 28.0000 2.700E-02 I X 28.5000 2.872E-02 I X 29.0000 3.053E-02 I X 29.5000 3.241E-02 I X 30.0000 3.436E-02 I X 31.0000 3.847E-02 I X 32.0000 4.281E-02 I X 33.0000 4.735E-02 I X 34.0000 5.203E-02 I X 35.0000 5.682E-02 I X 36.0000 6.166E-02 I X 37.0000 6.650E-02 I X 38.0000 7.129E-02 I X 39.0000 7.598E-02 I X 40.0000 8.050E-02 I X 41.0000 8.481E-02 I X 42.0000 8.886E-02 I X 43.0000 9.260E-02 I X 44.0000 9.598E-02 I X 45.0000 9.896E-02 I X 46.0000 1.015E-01 I X 47.0000 1.036E-01 I X 48.0000 1.051E-01 I X 49.0000 1.062E-01 I X 50.0000 1.067E-01 I X 51.0000 1.066E-01 I X 52.0000 1.060E-01 I X 53.0000 1.048E-01 I X 54.0000 1.031E-01 I X 55.0000 1.007E-01 I X 56.0000 9.785E-02 I X 57.0000 9.443E-02 I X 58.0000 9.049E-02 I X 59.0000 8.606E-02 I X 60.0000 8.117E-02 I X 62.0000 7.008E-02 I X 64.0000 5.751E-02 I X 66.0000 4.373E-02 I X 68.0000 2.907E-02 I X 70.0000 1.384E-02 I X 72.0000 -1.665E-03 XI 74.0000 -1.714E-02 X I 76.0000 -3.231E-02 X I 78.0000 -4.693E-02 X I 80.0000 -6.079E-02 X I 82.0000 -7.371E-02 X I 84.0000 -8.555E-02 X I 86.0000 -9.618E-02 X I 88.0000 -1.055E-01 X I 90.0000 -1.136E-01 X I 92.0000 -1.203E-01 X I 94.0000 -1.257E-01 X I 96.0000 -1.297E-01 X I 98.0000 -1.326E-01 X I 100.0000 -1.343E-01 X I 104.0000 -1.344E-01 X I 108.0000 -1.309E-01 X I 112.0000 -1.246E-01 X I 116.0000 -1.162E-01 X I 120.0000 -1.065E-01 X I 124.0000 -9.607E-02 X I 128.0000 -8.544E-02 X I 132.0000 -7.501E-02 X I 136.0000 -6.509E-02 X I 140.0000 -5.587E-02 X I 144.0000 -4.748E-02 X I 148.0000 -3.998E-02 X I 152.0000 -3.338E-02 X I 156.0000 -2.764E-02 X I 160.0000 -2.272E-02 X I 164.0000 -1.855E-02 X I 168.0000 -1.504E-02 X I 172.0000 -1.212E-02 X I 176.0000 -9.704E-03 X I 180.0000 -7.730E-03 X I 184.0000 -6.124E-03 X I 188.0000 -4.828E-03 X I 192.0000 -3.787E-03 X I 196.0000 -2.958E-03 XI 200.0000 -2.300E-03 XI 204.0000 -1.781E-03 XI 208.0000 -1.373E-03 XI 0 0.0 0.0 0.000 0.000 0.000 0.000 KURUCZ job terminated at 29-APR-2000 22:54:10.32 Accounting information: Buffered I/O count: 299 Peak working set size: 3347 Direct I/O count: 3910 Peak page file size: 6795 Page faults: 4927 Mounted volumes: 0 Charged CPU time: 0 00:00:32.15 Elapsed time: 0 00:01:00.40