LANTHANUM SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1690768754E+09 0.1000000000E+01 0.1000000000E+01 2 0.4063743075E+08 0.1000000000E+01 0.1000000000E+01 3 0.1088808219E+08 0.1000000000E+01 0.1000000000E+01 4 0.3229452276E+07 0.1000000000E+01 0.1000000000E+01 5 0.1052998849E+07 0.1000000000E+01 0.1000000000E+01 6 0.3748156190E+06 0.1000000000E+01 0.1000000000E+01 7 0.1446330134E+06 0.1000000000E+01 0.1000000000E+01 8 0.6008227561E+05 0.1000000000E+01 0.1000000000E+01 9 0.2668232738E+05 0.1000000000E+01 0.1000000000E+01 10 0.1257965277E+05 0.1000000000E+01 0.1000000000E+01 11 0.6252452794E+04 0.1000000000E+01 0.1000000000E+01 12 0.3253405714E+04 0.1000000000E+01 0.1000000000E+01 13 0.1759953840E+04 0.1000000000E+01 0.1000000000E+01 14 0.9828987685E+03 0.1000000000E+01 0.1000000000E+01 15 0.5627687573E+03 0.1000000000E+01 0.1000000000E+01 16 0.3280454774E+03 0.1000000000E+01 0.1000000000E+01 17 0.1933259846E+03 0.1000000000E+01 0.1000000000E+01 18 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8.9469981E-04 4.0268000E-04 3 5.2834750E-03 2.3834196E-03 4 2.3831079E-02 1.0841494E-02 5 7.9952409E-02 3.6804318E-02 6 1.9236485E-01 9.0076794E-02 7 3.1769763E-01 1.4553102E-01 8 3.4884530E-01 1.4245930E-01 9 2.0596058E-01 -4.1589609E-02 10 5.0042754E-02 -3.3551063E-01 11 3.3033520E-03 -4.6493911E-01 12 1.0764148E-05 -2.6097750E-01 13 -2.4220008E-05 -4.6190103E-02 14 6.1148117E-05 2.7410538E-05 15 2.8641322E-04 1.2896178E-04 16 1.1907995E-03 5.3717122E-04 17 3.7304342E-03 1.6971923E-03 18 8.6934872E-03 4.0019211E-03 19 1.4825529E-02 6.9434961E-03 20 1.7659454E-02 8.0924767E-03 21 1.4156150E-02 5.7849233E-03 22 6.1130942E-03 -1.2352945E-03 23 1.0760664E-03 -7.2616128E-03 24 4.6437956E-05 -7.2107841E-03 25 -1.2703450E-06 -2.8263214E-03 26 -1.3865806E-06 -3.3660169E-04 3D+ 4D+ -3.1516667E+01 -4.0987210E+00 ------------ ------------ 1 -7.3756139E-05 3.2994993E-05 2 -6.2631589E-04 2.8173229E-04 3 -4.3641957E-03 1.9653995E-03 4 -2.1594665E-02 9.8114148E-03 5 -7.5654364E-02 3.4766260E-02 6 -1.8664847E-01 8.7351184E-02 7 -3.1409162E-01 1.4409132E-01 8 -3.5217931E-01 1.4579815E-01 9 -2.1309076E-01 -3.1655452E-02 10 -5.3465379E-02 -3.2572456E-01 11 -3.6600895E-03 -4.6762843E-01 12 -3.1847471E-05 -2.7114250E-01 13 2.4665171E-05 -5.0152432E-02 14 -4.5713495E-05 2.0424015E-05 15 -2.4154555E-04 1.0856316E-04 16 -1.0684455E-03 4.8071902E-04 17 -3.4863628E-03 1.5827727E-03 18 -8.3403261E-03 3.8299538E-03 19 -1.4480716E-02 6.7729155E-03 20 -1.7526830E-02 8.0367403E-03 21 -1.4327821E-02 5.9303380E-03 22 -6.3459812E-03 -9.3880224E-04 23 -1.1585541E-03 -7.0518490E-03 24 -5.6852224E-05 -7.2541202E-03 25 -3.3117214E-07 -2.9371612E-03 26 1.7618411E-07 -3.6604360E-04 4F- -2.3709332E-01 ------------ 1 -7.3280432E-04 2 -4.5503903E-03 3 -2.2397171E-02 4 -7.3699515E-02 5 -1.7756516E-01 6 -2.7898455E-01 7 -3.2052269E-01 8 -2.8301759E-01 9 -1.9769674E-01 10 -1.0061937E-01 11 -3.0782194E-02 12 -1.0968269E-04 13 -4.5466772E-04 14 -1.4848191E-03 15 -3.2895206E-03 16 -5.3862256E-03 17 -5.7888609E-03 18 -4.5540417E-03 19 -2.7424271E-03 20 -1.2938938E-03 21 -4.3814801E-04 22 -8.7339742E-05 4F+ -2.3048204E-01 ------------ 1 6.7079879E-04 2 4.3556856E-03 3 2.1774042E-02 4 7.2431932E-02 5 1.7504427E-01 6 2.7689112E-01 7 3.1997752E-01 8 2.8380938E-01 9 2.0065112E-01 10 1.0399832E-01 11 3.3025413E-02 12 1.0413834E-04 13 4.3949816E-04 14 1.4504381E-03 15 3.2385635E-03 16 5.3148597E-03 17 5.7476620E-03 18 4.5474304E-03 19 2.7504125E-03 20 1.3133619E-03 21 4.5287949E-04 22 9.3717269E-05 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -1.4386556E+03 -2.3270939E+02 -5.1217220E+01 -1.0841522E+01 -1.6782424E+00 -1.6652690E-01 ------------ ------------ ------------ ------------ ------------ ------------ 1 9.2719879E-06 3.2707074E-06 1.4858883E-06 6.9569592E-07 -2.7465036E-07 -7.5458097E-08 2 5.9814546E-05 2.1131095E-05 9.6015597E-06 4.4950518E-06 -1.7748851E-06 -4.8765520E-07 3 1.5548141E-04 5.5074542E-05 2.5035782E-05 1.1723246E-05 -4.6283588E-06 -1.2716158E-06 4 3.8318745E-04 1.3623882E-04 6.1961979E-05 2.9012862E-05 -1.1456851E-05 -3.1478581E-06 5 8.7209668E-04 3.1173574E-04 1.4190213E-04 6.6470962E-05 -2.6242498E-05 -7.2099192E-06 6 1.9579669E-03 7.0447263E-04 3.2094551E-04 1.5031867E-04 -5.9371745E-05 -1.6313525E-05 7 4.2797002E-03 1.5518853E-03 7.0794752E-04 3.3183386E-04 -1.3099315E-04 -3.5988167E-05 8 9.1780134E-03 3.3585796E-03 1.5337857E-03 7.1855864E-04 -2.8393416E-04 -7.8023334E-05 9 1.9022671E-02 7.0454987E-03 3.2246713E-03 1.5131684E-03 -5.9713390E-04 -1.6403799E-04 10 3.7750567E-02 1.4235071E-02 6.5290482E-03 3.0598601E-03 -1.2102335E-03 -3.3263082E-04 11 7.0386942E-02 2.7339908E-02 1.2609495E-02 5.9322790E-03 -2.3392458E-03 -6.4248025E-04 12 1.2075376E-01 4.9306995E-02 2.2886543E-02 1.0739083E-02 -4.2573431E-03 -1.1706837E-03 13 1.8416545E-01 8.1791014E-02 3.8568756E-02 1.8273630E-02 -7.1939848E-03 -1.9749329E-03 14 2.3691229E-01 1.2035571E-01 5.7827735E-02 2.7243434E-02 -1.0867474E-02 -2.9921201E-03 15 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-1.3708287E-02 -6.3992859E-03 -2.2842522E-03 34 9.5317402E-03 1.4314522E-03 1.6586658E-03 6.6086775E-04 35 1.3629577E-03 1.5673637E-02 1.0843539E-02 4.2040319E-03 36 4.1283278E-05 1.4152764E-02 1.0826228E-02 4.2273874E-03 37 1.9246814E-06 3.6960154E-03 -1.8929841E-03 -1.2627086E-03 38 -2.7402877E-06 2.3760971E-04 -9.4151975E-03 -5.0328702E-03 39 1.1021285E-07 7.1438488E-06 -4.4397199E-03 -2.7560939E-03 40 -1.2409110E-07 1.5524745E-07 -3.4853807E-04 2.5497738E-03 41 3.2098157E-08 -1.4603102E-07 -1.3471069E-05 3.1447091E-03 42 -5.8559630E-09 2.6623829E-08 1.7095938E-06 6.5548950E-04 3D- 4D- -3.2158574E+01 -4.2116214E+00 ------------ ------------ 1 1.7202114E-04 7.7128712E-05 2 8.9469974E-04 4.0267996E-04 3 5.2834747E-03 2.3834195E-03 4 2.3831077E-02 1.0841494E-02 5 7.9952405E-02 3.6804316E-02 6 1.9236484E-01 9.0076790E-02 7 3.1769763E-01 1.4553102E-01 8 3.4884530E-01 1.4245930E-01 9 2.0596059E-01 -4.1589592E-02 10 5.0042760E-02 -3.3551062E-01 11 3.3033524E-03 -4.6493911E-01 12 1.0764201E-05 -2.6097753E-01 13 -2.4220009E-05 -4.6190114E-02 14 6.1148113E-05 2.7410536E-05 15 2.8641320E-04 1.2896177E-04 16 1.1907994E-03 5.3717119E-04 17 3.7304340E-03 1.6971921E-03 18 8.6934868E-03 4.0019208E-03 19 1.4825528E-02 6.9434957E-03 20 1.7659454E-02 8.0924764E-03 21 1.4156150E-02 5.7849235E-03 22 6.1130945E-03 -1.2352940E-03 23 1.0760665E-03 -7.2616124E-03 24 4.6437964E-05 -7.2107841E-03 25 -1.2703444E-06 -2.8263217E-03 26 -1.3865806E-06 -3.3660177E-04 3D+ 4D+ -3.1516665E+01 -4.0987205E+00 ------------ ------------ 1 -7.3756134E-05 3.2994991E-05 2 -6.2631584E-04 2.8173227E-04 3 -4.3641955E-03 1.9653994E-03 4 -2.1594664E-02 9.8114142E-03 5 -7.5654360E-02 3.4766258E-02 6 -1.8664847E-01 8.7351180E-02 7 -3.1409162E-01 1.4409131E-01 8 -3.5217931E-01 1.4579815E-01 9 -2.1309077E-01 -3.1655437E-02 10 -5.3465385E-02 -3.2572454E-01 11 -3.6600901E-03 -4.6762843E-01 12 -3.1847483E-05 -2.7114253E-01 13 2.4665160E-05 -5.0152444E-02 14 -4.5713492E-05 2.0424014E-05 15 -2.4154553E-04 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12 1.0413831E-04 13 4.3949806E-04 14 1.4504378E-03 15 3.2385629E-03 16 5.3148587E-03 17 5.7476611E-03 18 4.5474299E-03 19 2.7504125E-03 20 1.3133623E-03 21 4.5287987E-04 22 9.3717507E-05 ____________________ SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1693237518E+09 0.1000000000E+01 0.1000000000E+01 2 0.4026346052E+08 0.1000000000E+01 0.1000000000E+01 3 0.1068651416E+08 0.1000000000E+01 0.1000000000E+01 4 0.3143715721E+07 0.1000000000E+01 0.1000000000E+01 5 0.1017848604E+07 0.1000000000E+01 0.1000000000E+01 6 0.3601689774E+06 0.1000000000E+01 0.1000000000E+01 7 0.1383130323E+06 0.1000000000E+01 0.1000000000E+01 8 0.5724058554E+05 0.1000000000E+01 0.1000000000E+01 9 0.2535010020E+05 0.1000000000E+01 0.1000000000E+01 10 0.1192999944E+05 0.1000000000E+01 0.1000000000E+01 11 0.5924296407E+04 0.1000000000E+01 0.1000000000E+01 12 0.3082614600E+04 0.1000000000E+01 0.1000000000E+01 13 0.1668930537E+04 0.1000000000E+01 0.1000000000E+01 14 0.9335645511E+03 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0.1000000000E+01 3 0.4193792744E+06 0.1000000000E+01 0.1000000000E+01 4 0.1074162164E+06 0.1000000000E+01 0.1000000000E+01 5 0.3144366069E+05 0.1000000000E+01 0.1000000000E+01 6 0.1038084959E+05 0.1000000000E+01 0.1000000000E+01 7 0.3814217268E+04 0.1000000000E+01 0.1000000000E+01 8 0.1539171004E+04 0.1000000000E+01 0.1000000000E+01 9 0.6731524308E+03 0.1000000000E+01 0.1000000000E+01 10 0.3148627237E+03 0.1000000000E+01 0.1000000000E+01 11 0.1554341871E+03 0.1000000000E+01 0.1000000000E+01 12 0.7991448358E+02 0.1000000000E+01 0.1000000000E+01 13 0.4222739449E+02 0.1000000000E+01 0.1000000000E+01 14 0.2263023662E+02 0.1000000000E+01 0.1000000000E+01 15 0.1213797140E+02 0.1000000000E+01 0.1000000000E+01 16 0.6429859964E+01 0.1000000000E+01 0.1000000000E+01 17 0.3319643854E+01 0.1000000000E+01 0.1000000000E+01 18 0.1648360619E+01 0.1000000000E+01 0.1000000000E+01 19 0.7768191256E+00 0.1000000000E+01 0.1000000000E+01 20 0.3428709697E+00 0.1000000000E+01 0.1000000000E+01 21 0.1398687948E+00 0.1000000000E+01 0.1000000000E+01 P+ 1 0.1006323333E+08 0.1000000000E+01 0.1000000000E+01 2 0.1896305287E+07 0.1000000000E+01 0.1000000000E+01 3 0.4193792744E+06 0.1000000000E+01 0.1000000000E+01 4 0.1074162164E+06 0.1000000000E+01 0.1000000000E+01 5 0.3144366069E+05 0.1000000000E+01 0.1000000000E+01 6 0.1038084959E+05 0.1000000000E+01 0.1000000000E+01 7 0.3814217268E+04 0.1000000000E+01 0.1000000000E+01 8 0.1539171004E+04 0.1000000000E+01 0.1000000000E+01 9 0.6731524308E+03 0.1000000000E+01 0.1000000000E+01 10 0.3148627237E+03 0.1000000000E+01 0.1000000000E+01 11 0.1554341871E+03 0.1000000000E+01 0.1000000000E+01 12 0.7991448358E+02 0.1000000000E+01 0.1000000000E+01 13 0.4222739449E+02 0.1000000000E+01 0.1000000000E+01 14 0.2263023662E+02 0.1000000000E+01 0.1000000000E+01 15 0.1213797140E+02 0.1000000000E+01 0.1000000000E+01 16 0.6429859964E+01 0.1000000000E+01 0.1000000000E+01 17 0.3319643854E+01 0.1000000000E+01 0.1000000000E+01 18 0.1648360619E+01 0.1000000000E+01 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0.1000000000E+01 9 0.3738147558E+00 0.1000000000E+01 0.1000000000E+01 10 0.1662607996E+00 0.1000000000E+01 0.1000000000E+01 11 0.7110466020E-01 0.1000000000E+01 0.1000000000E+01 F+ 1 0.2410059399E+03 0.1000000000E+01 0.1000000000E+01 2 0.9641818099E+02 0.1000000000E+01 0.1000000000E+01 3 0.4071502271E+02 0.1000000000E+01 0.1000000000E+01 4 0.1793716347E+02 0.1000000000E+01 0.1000000000E+01 5 0.8148824502E+01 0.1000000000E+01 0.1000000000E+01 6 0.3773262804E+01 0.1000000000E+01 0.1000000000E+01 7 0.1760187013E+01 0.1000000000E+01 0.1000000000E+01 8 0.8176341370E+00 0.1000000000E+01 0.1000000000E+01 9 0.3738147558E+00 0.1000000000E+01 0.1000000000E+01 10 0.1662607996E+00 0.1000000000E+01 0.1000000000E+01 11 0.7110466020E-01 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ F- F+ NUMBER OF CLOSED SHELLS 6 4 4 2 2 0 0 OPEN SHELLS 0 0 0 0 0 1 1 NUMBER OF OPEN SHELL CONFG 3 CONF OPEN SHELL OCCUPATION NUMBERS 1 0.0 0.0 0.0 0.0 0.0 2.0 0.0 2 0.0 0.0 0.0 0.0 0.0 1.0 1.0 3 0.0 0.0 0.0 0.0 0.0 0.0 2.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -1.4946767E+03 -2.4307345E+02 -5.3811816E+01 -1.1406893E+01 -1.7426741E+00 -1.6925323E-01 ------------ ------------ ------------ ------------ ------------ ------------ 1 -7.4654262E-06 2.6437257E-06 -1.2052262E-06 -5.6706156E-07 2.2377425E-07 -6.0623055E-08 2 -6.7067249E-05 2.3788644E-05 -1.0846679E-05 -5.1028394E-06 2.0139043E-06 -5.4558542E-07 3 -1.6610685E-04 5.9084946E-05 -2.6953198E-05 -1.2682968E-05 5.0052210E-06 -1.3559761E-06 4 -4.1724236E-04 1.4897233E-04 -6.7990796E-05 -3.1991959E-05 1.2626965E-05 -3.4207760E-06 5 -9.4071849E-04 3.3776967E-04 -1.5430118E-04 -7.2634236E-05 2.8665217E-05 -7.7658696E-06 6 -2.1181247E-03 7.6565259E-04 -3.5006378E-04 -1.6476408E-04 6.5041177E-05 -1.7620420E-05 7 -4.6119286E-03 1.6807648E-03 -7.6955660E-04 -3.6249289E-04 1.4305805E-04 -3.8757774E-05 8 -9.8840096E-03 3.6365182E-03 -1.6668103E-03 -7.8474810E-04 3.0987292E-04 -8.3948189E-05 9 -2.0417393E-02 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-2.7532934E-06 -5.2343614E-03 -6.2764977E-03 2.8513066E-03 -8.0388409E-04 54 1.7166474E-07 3.2403356E-06 -2.8034157E-04 9.9664190E-03 -6.4494956E-03 1.8974239E-03 55 -1.1754881E-07 1.2356019E-07 -2.3795882E-05 5.7599179E-03 -6.5709214E-03 2.0841278E-03 56 5.1970183E-08 2.7735048E-08 3.8446221E-06 2.9584332E-04 1.8326015E-03 -6.9140003E-04 57 -2.1994594E-08 -3.5858364E-08 -7.4218560E-07 2.5029864E-05 3.6729304E-03 -1.6925209E-03 58 9.7473735E-09 2.5094568E-09 3.1677355E-07 -5.5246902E-06 5.4044674E-04 -8.1111762E-04 59 -3.7746412E-09 -5.7776947E-10 -6.8577165E-08 1.5072803E-06 -1.6037457E-05 1.0076415E-03 60 1.0651105E-09 -2.3200963E-11 1.0600548E-08 -2.3557334E-07 2.2685676E-06 6.6092221E-04 2P- 3P- 4P- 5P- -2.2887349E+02 -4.7770222E+01 -9.0818588E+00 -1.0400825E+00 ------------ ------------ ------------ ------------ 1 -4.9684469E-05 2.3734195E-05 -1.0929594E-05 -3.9500677E-06 2 -1.2446196E-04 5.9459969E-05 -2.7380191E-05 -9.8951187E-06 3 -3.5034944E-04 1.6744748E-04 -7.7122186E-05 -2.7874435E-05 4 -8.6460787E-04 4.1353508E-04 -1.9044840E-04 -6.8824958E-05 5 -2.1703195E-03 1.0408672E-03 -4.7985447E-04 -1.7348738E-04 6 -5.6968531E-03 2.7430810E-03 -1.2646275E-03 -4.5703134E-04 7 -1.5954063E-02 7.7583878E-03 -3.5887108E-03 -1.2986021E-03 8 -4.4543032E-02 2.1982369E-02 -1.0182753E-02 -3.6826594E-03 9 -1.1271925E-01 5.7444091E-02 -2.6852370E-02 -9.7395600E-03 10 -2.3056533E-01 1.2265306E-01 -5.7699384E-02 -2.0922520E-02 11 -3.4012464E-01 1.9149415E-01 -9.1867703E-02 -3.3530806E-02 12 -3.0119053E-01 1.4359373E-01 -6.3784214E-02 -2.2692812E-02 13 -1.2452527E-01 -1.2818142E-01 9.1849087E-02 3.5480202E-02 14 -1.7352526E-02 -4.7119196E-01 3.3806195E-01 1.3467384E-01 15 -5.4904528E-04 -4.2612027E-01 3.0883732E-01 1.1843777E-01 16 1.5298993E-05 -1.0804051E-01 -2.6612666E-01 -1.4544151E-01 17 1.1738387E-04 -7.5017114E-03 -6.5124801E-01 -3.7145879E-01 18 -3.2154566E-06 2.8756666E-05 -3.0284791E-01 -1.4442278E-01 19 8.8801444E-06 -2.0678542E-04 -1.8535812E-02 4.9918769E-01 20 -3.4782060E-06 1.0050575E-04 -2.7073006E-03 5.9445471E-01 21 9.3956121E-07 -2.8362900E-05 6.6835155E-04 1.2165245E-01 22 -1.2399694E-05 5.9303998E-06 -2.7330325E-06 -9.8814915E-07 23 -3.8565889E-05 1.8437523E-05 -8.4856923E-06 -3.0653503E-06 24 -1.1360806E-04 5.4467048E-05 -2.5121271E-05 -9.0855593E-06 25 -3.1677311E-04 1.5191645E-04 -6.9949763E-05 -2.5268206E-05 26 -8.5633086E-04 4.1249374E-04 -1.9046098E-04 -6.8902898E-05 27 -2.2119498E-03 1.0679670E-03 -4.9240706E-04 -1.7791572E-04 28 -5.3172844E-03 2.5917336E-03 -1.1997345E-03 -4.3425985E-04 29 -1.1454671E-02 5.6585711E-03 -2.6212696E-03 -9.4792611E-04 30 -2.1163477E-02 1.0796511E-02 -5.0483007E-03 -1.8312486E-03 31 -3.1108290E-02 1.6571081E-02 -7.7969495E-03 -2.8272786E-03 32 -3.3031374E-02 1.8648534E-02 -8.9516005E-03 -3.2676991E-03 33 -2.1145332E-02 1.0145474E-02 -4.5149154E-03 -1.6068650E-03 34 -6.2410801E-03 -6.6846961E-03 4.7706616E-03 1.8418121E-03 35 -4.9834951E-04 -1.7984516E-02 1.2887063E-02 5.1328528E-03 36 9.3738630E-05 -1.1917696E-02 8.6356665E-03 3.3121783E-03 37 6.6774026E-05 -2.1987063E-03 -5.3907363E-03 -2.9467987E-03 38 4.8059409E-05 -1.1157123E-04 -9.4674891E-03 -5.4006908E-03 39 2.4763294E-05 -9.0800061E-07 -3.0894948E-03 -1.4740299E-03 40 2.0133802E-05 -2.4488986E-06 -1.2643186E-04 3.4828363E-03 41 6.2208374E-06 1.5932413E-07 -1.1568206E-05 2.7391953E-03 42 9.5066386E-06 -5.5457709E-07 3.3301226E-06 3.5582571E-04 2P+ 3P+ 4P+ 5P+ -2.1240569E+02 -4.4456392E+01 -8.3699411E+00 -9.3886903E-01 ------------ ------------ ------------ ------------ 1 -2.3434492E-07 -1.1398795E-07 -5.2806294E-08 1.8809509E-08 2 -1.6599362E-06 -8.0366771E-07 -3.6977534E-07 1.3122532E-07 3 -1.1470245E-05 -5.5868554E-06 -2.5865812E-06 9.2088848E-07 4 -7.1521237E-05 -3.4754356E-05 -1.6016458E-05 5.6876148E-06 5 -4.0385961E-04 -1.9729808E-04 -9.1346085E-05 3.2513634E-05 6 -2.0113314E-03 -9.8296729E-04 -4.5375313E-04 1.6121541E-04 7 -8.6408734E-03 -4.2625729E-03 -1.9770348E-03 7.0387155E-04 8 -3.1154666E-02 -1.5550245E-02 -7.2109727E-03 2.5643661E-03 9 -9.1742934E-02 -4.7249412E-02 -2.2122570E-02 7.8913737E-03 10 -2.0781481E-01 -1.1160132E-01 -5.2546122E-02 1.8737399E-02 11 -3.3416231E-01 -1.9132868E-01 -9.2023280E-02 3.3026573E-02 12 -3.2472829E-01 -1.7209261E-01 -7.9370452E-02 2.8064592E-02 13 -1.5173259E-01 7.6102314E-02 6.0350515E-02 -2.3108644E-02 14 -2.5053485E-02 4.4666926E-01 3.1827404E-01 -1.2413158E-01 15 -8.3146428E-04 4.6336387E-01 3.5041556E-01 -1.3435541E-01 16 -1.1425373E-05 1.3782123E-01 -1.9166925E-01 1.0586437E-01 17 1.4702151E-04 1.0711387E-02 -6.5283105E-01 3.5972829E-01 18 -6.5792637E-06 2.2105054E-04 -3.5377873E-01 1.9859738E-01 19 1.1364489E-05 1.3789825E-04 -2.9348796E-02 -4.3647836E-01 20 -4.4609485E-06 -7.6158072E-05 -2.8255665E-03 -6.2833190E-01 21 1.2036142E-06 2.2078667E-05 6.7757956E-04 -1.6418038E-01 22 -6.1766353E-07 -3.0233004E-07 -1.4127152E-07 5.0553140E-08 23 -3.9644902E-06 -1.9083257E-06 -8.7323748E-07 3.0901825E-07 24 -2.1879140E-05 -1.0647094E-05 -4.9384962E-06 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-2.7584279E-08 -3.6022399E-07 -1.3027053E-05 -2.8951062E-03 42 5.5194227E-09 6.7171579E-08 1.9825299E-06 -4.7988011E-04 3D- 4D- -3.4028361E+01 -4.4896024E+00 ------------ ------------ 1 1.6773308E-04 7.5932818E-05 2 8.1353160E-04 3.7027424E-04 3 4.7133715E-03 2.1464198E-03 4 2.1399588E-02 9.8379354E-03 5 7.3730266E-02 3.4241152E-02 6 1.8417216E-01 8.7192971E-02 7 3.1506085E-01 1.4621561E-01 8 3.5491542E-01 1.4866271E-01 9 2.1455401E-01 -3.1867720E-02 10 5.3783427E-02 -3.2455178E-01 11 4.1124156E-03 -4.5812281E-01 12 1.8283468E-05 -2.7098347E-01 13 6.1821657E-06 -5.9523364E-02 14 5.9552894E-05 2.6933504E-05 15 2.6782985E-04 1.2199031E-04 16 1.1044782E-03 5.0291835E-04 17 3.5125267E-03 1.6149519E-03 18 8.4167384E-03 3.9088425E-03 19 1.4872848E-02 7.0425628E-03 20 1.8287435E-02 8.4902182E-03 21 1.4993902E-02 6.2847690E-03 22 6.6211710E-03 -9.8371113E-04 23 1.2050701E-03 -7.3173263E-03 24 6.1394348E-05 -7.4486395E-03 25 -1.2067623E-06 -3.1141825E-03 26 -1.4582632E-06 -4.6926196E-04 3D+ 4D+ -3.3326498E+01 -4.3640949E+00 ------------ ------------ 1 -6.9033718E-05 3.1144526E-05 2 -5.5716971E-04 2.5357026E-04 3 -3.8300400E-03 1.7407857E-03 4 -1.9225833E-02 8.8275812E-03 5 -6.9428067E-02 3.2184090E-02 6 -1.7822311E-01 8.4320401E-02 7 -3.1097611E-01 1.4450811E-01 8 -3.5803967E-01 1.5190771E-01 9 -2.2198523E-01 -2.1673647E-02 10 -5.7512788E-02 -3.1416934E-01 11 -4.5469256E-03 -4.6026435E-01 12 -4.3116218E-05 -2.8108151E-01 13 -7.8030439E-06 -6.4514469E-02 14 -4.3856391E-05 1.9753780E-05 15 -2.2367262E-04 1.0171542E-04 16 -9.8346016E-04 4.4653052E-04 17 -3.2658810E-03 1.4983058E-03 18 -8.0477921E-03 3.7277427E-03 19 -1.4496986E-02 6.8544018E-03 20 -1.8126145E-02 8.4187881E-03 21 -1.5166429E-02 6.4332311E-03 22 -6.8743378E-03 -6.6703748E-04 23 -1.2983186E-03 -7.0854675E-03 24 -7.4056842E-05 -7.4852756E-03 25 -4.7279358E-07 -3.2310379E-03 26 -6.8090393E-08 -5.0932007E-04 4F- -2.9145070E-01 ------------ 1 -6.4232521E-04 2 -4.4084939E-03 3 -2.3057720E-02 4 -7.8837517E-02 5 -1.9096441E-01 6 -2.9507319E-01 7 -3.2657462E-01 8 -2.7404465E-01 9 -1.7894309E-01 10 -8.2134340E-02 11 -2.0262274E-02 12 -1.0243217E-04 13 -4.6463426E-04 14 -1.5961226E-03 15 -3.6423783E-03 16 -5.9576115E-03 17 -6.2700846E-03 18 -4.7410232E-03 19 -2.7120278E-03 20 -1.1974186E-03 21 -3.6657057E-04 22 -5.9128908E-05 4F+ -2.8256212E-01 ------------ 1 -5.8249505E-04 2 -4.2042893E-03 3 -2.2380733E-02 4 -7.7430532E-02 5 -1.8823212E-01 6 -2.9293274E-01 7 -3.2628241E-01 8 -2.7527507E-01 9 -1.8221856E-01 10 -8.5493605E-02 11 -2.2054278E-02 12 -9.6833675E-05 13 -4.4813134E-04 14 -1.5572808E-03 15 -3.5840993E-03 16 -5.8782630E-03 17 -6.2271885E-03 18 -4.7380282E-03 19 -2.7245456E-03 20 -1.2194763E-03 21 -3.8158217E-04 22 -6.4371872E-05 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -1.4946778E+03 -2.4307358E+02 -5.3811844E+01 -1.1406899E+01 -1.7426750E+00 -1.6925329E-01 ------------ ------------ ------------ ------------ ------------ ------------ 1 -9.9529943E-06 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-2.7120280E-03 20 -1.1974189E-03 21 -3.6657086E-04 22 -5.9129042E-05 4F+ -2.8256181E-01 ------------ 1 -5.8249492E-04 2 -4.2042885E-03 3 -2.2380729E-02 4 -7.7430519E-02 5 -1.8823209E-01 6 -2.9293271E-01 7 -3.2628238E-01 8 -2.7527508E-01 9 -1.8221860E-01 10 -8.5493672E-02 11 -2.2054328E-02 12 -9.6833654E-05 13 -4.4813125E-04 14 -1.5572805E-03 15 -3.5840986E-03 16 -5.8782621E-03 17 -6.2271877E-03 18 -4.7380279E-03 19 -2.7245457E-03 20 -1.2194766E-03 21 -3.8158247E-04 22 -6.4372018E-05 ____________________ SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1717256364E+09 0.1000000000E+01 0.1000000000E+01 2 0.4172259351E+08 0.1000000000E+01 0.1000000000E+01 3 0.1128832905E+08 0.1000000000E+01 0.1000000000E+01 4 0.3377585130E+07 0.1000000000E+01 0.1000000000E+01 5 0.1109934383E+07 0.1000000000E+01 0.1000000000E+01 6 0.3978311103E+06 0.1000000000E+01 0.1000000000E+01 7 0.1544566788E+06 0.1000000000E+01 0.1000000000E+01 8 0.6450854322E+05 0.1000000000E+01 0.1000000000E+01 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4F+ -5.3065975E-01 ------------ 1 5.8473117E-04 2 3.6229546E-03 3 1.8816321E-02 4 6.2704268E-02 5 1.5786163E-01 6 2.6717947E-01 7 3.2370657E-01 8 2.9154558E-01 9 1.9279123E-01 10 8.5521696E-02 11 2.0011320E-02 12 9.8584120E-05 13 4.0033864E-04 14 1.3877568E-03 15 3.1463189E-03 16 5.4681821E-03 17 6.4515210E-03 18 5.4736732E-03 19 3.4496054E-03 20 1.5861903E-03 21 4.8357305E-04 22 7.6428375E-05 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -1.4949186E+03 -2.4333960E+02 -5.4117097E+01 -1.1694435E+01 -1.8853770E+00 -1.8232243E-01 ------------ ------------ ------------ ------------ ------------ ------------ 1 -9.5504932E-06 3.3823354E-06 -1.5418457E-06 7.2767021E-07 -2.9484183E-07 -8.4319175E-08 2 -6.2544335E-05 2.2183367E-05 -1.0114333E-05 4.7729703E-06 -1.9344716E-06 -5.5322058E-07 3 -1.6122179E-04 5.7335845E-05 -2.6152872E-05 1.2344306E-05 -5.0020144E-06 -1.4304875E-06 4 -3.9371710E-04 1.4054149E-04 -6.4139355E-05 3.0272590E-05 -1.2270853E-05 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1.1051299E-03 21 -1.6397704E-02 7.7904133E-03 1.9404865E-03 22 -1.9151972E-02 8.9324828E-03 2.2288835E-03 23 -1.3509622E-02 4.8758627E-03 1.1357469E-03 24 -4.2909026E-03 -3.9538778E-03 -1.2614015E-03 25 -4.4968411E-04 -8.6549790E-03 -2.5629930E-03 26 -7.9279178E-06 -5.7856230E-03 -1.6121370E-03 27 -8.6028760E-08 -1.3567804E-03 8.0992276E-04 28 1.6285413E-07 -7.3226595E-05 2.3162263E-03 29 -8.7073930E-09 -2.3768226E-06 1.9486080E-03 30 4.1863058E-09 1.2267456E-07 7.4603819E-04 4F- -5.4103150E-01 ------------ 1 6.4518802E-04 2 3.7941478E-03 3 1.9393309E-02 4 6.3765686E-02 5 1.5995813E-01 6 2.6921873E-01 7 3.2390907E-01 8 2.9050000E-01 9 1.9044412E-01 10 8.3169002E-02 11 1.8878352E-02 12 1.0416739E-04 13 4.1435776E-04 14 1.4217175E-03 15 3.1926795E-03 16 5.5340220E-03 17 6.4973034E-03 18 5.4753326E-03 19 3.4366319E-03 20 1.5666395E-03 21 4.7022451E-04 22 7.2075618E-05 4F+ -5.3065940E-01 ------------ 1 5.8473106E-04 2 3.6229540E-03 3 1.8816318E-02 4 6.2704258E-02 5 1.5786161E-01 6 2.6717944E-01 7 3.2370655E-01 8 2.9154559E-01 9 1.9279127E-01 10 8.5521740E-02 11 2.0011348E-02 12 9.8584102E-05 13 4.0033857E-04 14 1.3877566E-03 15 3.1463184E-03 16 5.4681814E-03 17 6.4515203E-03 18 5.4736729E-03 19 3.4496055E-03 20 1.5861906E-03 21 4.8357329E-04 22 7.6428481E-05 ******************** PRASEODYMIUM SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1699651027E+09 0.1000000000E+01 0.1000000000E+01 2 0.4107016606E+08 0.1000000000E+01 0.1000000000E+01 3 0.1106335377E+08 0.1000000000E+01 0.1000000000E+01 4 0.3299118982E+07 0.1000000000E+01 0.1000000000E+01 5 0.1081476755E+07 0.1000000000E+01 0.1000000000E+01 6 0.3869916790E+06 0.1000000000E+01 0.1000000000E+01 7 0.1501096063E+06 0.1000000000E+01 0.1000000000E+01 8 0.6267508919E+05 0.1000000000E+01 0.1000000000E+01 9 0.2797166032E+05 0.1000000000E+01 0.1000000000E+01 10 0.1325059974E+05 0.1000000000E+01 0.1000000000E+01 11 0.6616129920E+04 0.1000000000E+01 0.1000000000E+01 12 0.3457649030E+04 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0.1000000000E+01 P- 1 0.1095288748E+08 0.1000000000E+01 0.1000000000E+01 2 0.2076480462E+07 0.1000000000E+01 0.1000000000E+01 3 0.4614243269E+06 0.1000000000E+01 0.1000000000E+01 4 0.1186048606E+06 0.1000000000E+01 0.1000000000E+01 5 0.3480084549E+05 0.1000000000E+01 0.1000000000E+01 6 0.1150319171E+05 0.1000000000E+01 0.1000000000E+01 7 0.4227115566E+04 0.1000000000E+01 0.1000000000E+01 8 0.1704209697E+04 0.1000000000E+01 0.1000000000E+01 9 0.7438939671E+03 0.1000000000E+01 0.1000000000E+01 10 0.3469477549E+03 0.1000000000E+01 0.1000000000E+01 11 0.1706232119E+03 0.1000000000E+01 0.1000000000E+01 12 0.8731504408E+02 0.1000000000E+01 0.1000000000E+01 13 0.4588523093E+02 0.1000000000E+01 0.1000000000E+01 14 0.2443687075E+02 0.1000000000E+01 0.1000000000E+01 15 0.1301556527E+02 0.1000000000E+01 0.1000000000E+01 16 0.6841970473E+01 0.1000000000E+01 0.1000000000E+01 17 0.3503128129E+01 0.1000000000E+01 0.1000000000E+01 18 0.1724024608E+01 0.1000000000E+01 0.1000000000E+01 19 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0.1000000000E+01 7 0.2007062628E+01 0.1000000000E+01 0.1000000000E+01 8 0.9325167316E+00 0.1000000000E+01 0.1000000000E+01 9 0.4252344477E+00 0.1000000000E+01 0.1000000000E+01 10 0.1881267748E+00 0.1000000000E+01 0.1000000000E+01 11 0.7981737008E-01 0.1000000000E+01 0.1000000000E+01 F+ 1 0.2575287643E+03 0.1000000000E+01 0.1000000000E+01 2 0.1049843308E+03 0.1000000000E+01 0.1000000000E+01 3 0.4502499952E+02 0.1000000000E+01 0.1000000000E+01 4 0.2008110975E+02 0.1000000000E+01 0.1000000000E+01 5 0.9206630858E+01 0.1000000000E+01 0.1000000000E+01 6 0.4289108633E+01 0.1000000000E+01 0.1000000000E+01 7 0.2007062628E+01 0.1000000000E+01 0.1000000000E+01 8 0.9325167316E+00 0.1000000000E+01 0.1000000000E+01 9 0.4252344477E+00 0.1000000000E+01 0.1000000000E+01 10 0.1881267748E+00 0.1000000000E+01 0.1000000000E+01 11 0.7981737008E-01 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ F- F+ NUMBER OF CLOSED SHELLS 6 4 4 2 2 0 0 OPEN SHELLS 0 0 0 0 0 1 1 NUMBER OF OPEN SHELL CONFG 4 CONF OPEN 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-2.4084440E-03 40 -9.8673358E-08 6.1592484E-07 2.6853892E-04 2.9053689E-03 41 2.6742142E-08 -2.5090693E-07 1.4166303E-05 3.1051467E-03 42 -5.0170758E-09 4.7930806E-08 -1.9788730E-06 5.9357676E-04 3D- 4D- -3.5922951E+01 -4.7599158E+00 ------------ ------------ 1 1.3839411E-04 -6.3242980E-05 2 6.9434560E-04 -3.1855014E-04 3 4.1646100E-03 -1.9139486E-03 4 1.9970483E-02 -9.2545981E-03 5 7.2389350E-02 -3.3926118E-02 6 1.8778819E-01 -8.9659143E-02 7 3.2686058E-01 -1.5328247E-01 8 3.6183654E-01 -1.4968805E-01 9 2.0455439E-01 5.5367102E-02 10 4.5228776E-02 3.5713875E-01 11 2.9819715E-03 4.5434538E-01 12 1.4330192E-05 2.3968195E-01 13 2.4900642E-05 4.4990419E-02 14 4.9758261E-05 -2.2727856E-05 15 2.3717519E-04 -1.0888062E-04 16 1.0239701E-03 -4.7057580E-04 17 3.4246149E-03 -1.5871527E-03 18 8.5652576E-03 -4.0142468E-03 19 1.5568408E-02 -7.4345050E-03 20 1.9302811E-02 -9.0557897E-03 21 1.5423873E-02 -6.3856403E-03 22 6.3232081E-03 1.7131053E-03 23 1.0073130E-03 8.0188045E-03 24 4.2674117E-05 7.3202546E-03 25 -1.3081757E-06 2.7189523E-03 26 -1.2598728E-06 3.4899172E-04 3D+ 4D+ -3.5156978E+01 -4.6210122E+00 ------------ ------------ 1 5.1959579E-05 -2.3675790E-05 2 4.5327447E-04 -2.0788207E-04 3 3.3181166E-03 -1.5220095E-03 4 1.7776895E-02 -8.2267356E-03 5 6.7908301E-02 -3.1765549E-02 6 1.8143002E-01 -8.6556606E-02 7 3.2261286E-01 -1.5150611E-01 8 3.6556591E-01 -1.5355669E-01 9 2.1237279E-01 4.4020803E-02 10 4.8653660E-02 3.4704369E-01 11 3.3098942E-03 4.5819692E-01 12 3.6970111E-05 2.5013947E-01 13 2.6780354E-05 4.9163480E-02 14 3.5554940E-05 -1.6175692E-05 15 1.9473830E-04 -8.9233790E-05 16 9.0336266E-04 -4.1392552E-04 17 3.1673104E-03 -1.4644659E-03 18 8.1676893E-03 -3.8174840E-03 19 1.5157024E-02 -7.2262187E-03 20 1.9134013E-02 -8.9809741E-03 21 1.5626825E-02 -6.5626578E-03 22 6.5894755E-03 1.3607175E-03 23 1.0937543E-03 7.7945905E-03 24 5.3457240E-05 7.3842413E-03 25 3.8720937E-07 2.8383986E-03 26 2.1748758E-07 3.8206820E-04 4F- -3.3401552E-01 ------------ 1 6.4359257E-04 2 4.1678137E-03 3 2.1892708E-02 4 7.5111636E-02 5 1.8596769E-01 6 2.9460278E-01 7 3.2963894E-01 8 2.7707560E-01 9 1.7865728E-01 10 8.0013427E-02 11 1.8249295E-02 12 1.0564009E-04 13 4.5762730E-04 14 1.5920517E-03 15 3.6702534E-03 16 6.1655188E-03 17 6.6736892E-03 18 5.1098848E-03 19 2.9282592E-03 20 1.2750629E-03 21 3.7985693E-04 22 5.6420825E-05 4F+ -3.2272010E-01 ------------ 1 -5.8004998E-04 2 -3.9638149E-03 3 -2.1197033E-02 4 -7.3684277E-02 5 -1.8315156E-01 6 -2.9220680E-01 7 -3.2933357E-01 8 -2.7843623E-01 9 -1.8211121E-01 10 -8.3602049E-02 11 -2.0047433E-02 12 -9.9543032E-05 13 -4.4053681E-04 14 -1.5503729E-03 15 -3.6080272E-03 16 -6.0789870E-03 17 -6.6225692E-03 18 -5.1066465E-03 19 -2.9430742E-03 20 -1.2998779E-03 21 -3.9691999E-04 22 -6.1995433E-05 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -1.5519273E+03 -2.5368777E+02 -5.6452761E+01 -1.1968465E+01 -1.8030874E+00 -1.7175005E-01 ------------ ------------ ------------ ------------ ------------ ------------ 1 1.0531834E-05 3.7452247E-06 1.7130751E-06 -8.0939727E-07 -3.1885076E-07 -8.5249142E-08 2 6.8523735E-05 2.4405265E-05 1.1165056E-05 -5.2748373E-06 -2.0782343E-06 -5.5565312E-07 3 1.7657780E-04 6.3063711E-05 2.8863978E-05 -1.3639498E-05 -5.3733177E-06 -1.4366386E-06 4 4.3081471E-04 1.5445838E-04 7.0731496E-05 -3.3422550E-05 -1.3169255E-05 -3.5210734E-06 5 9.6768075E-04 3.4888879E-04 1.5991375E-04 -7.5594815E-05 -2.9781022E-05 -7.9624354E-06 6 2.1425230E-03 7.7778036E-04 3.5681515E-04 -1.6865499E-04 -6.6466711E-05 -1.7771677E-05 7 4.6121274E-03 1.6881409E-03 7.7554173E-04 -3.6686215E-04 -1.4451961E-04 -3.8639545E-05 8 9.7438358E-03 3.6008994E-03 1.6561726E-03 -7.8306114E-04 -3.0872199E-04 -8.2548997E-05 9 1.9900934E-02 7.4474696E-03 3.4333705E-03 -1.6260179E-03 -6.4039667E-04 -1.7121649E-04 10 3.8961463E-02 1.4851194E-02 6.8613825E-03 -3.2454375E-03 -1.2805857E-03 -3.4244887E-04 11 7.1736766E-02 2.8175132E-02 1.3092026E-02 -6.2169697E-03 -2.4471506E-03 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2.2375174E-06 -7.8914707E-07 4 -6.0549166E-05 2.9694833E-05 1.3815444E-05 -4.8586374E-06 5 -3.4280740E-04 1.6905966E-04 7.9020292E-05 -2.7862041E-05 6 -1.7227277E-03 8.4965636E-04 3.9595790E-04 -1.3932730E-04 7 -7.5230704E-03 3.7440935E-03 1.7529783E-03 -6.1820908E-04 8 -2.7720182E-02 1.3943099E-02 6.5260506E-03 -2.2984187E-03 9 -8.3931278E-02 4.3495795E-02 2.0548211E-02 -7.2599341E-03 10 -1.9671195E-01 1.0615727E-01 5.0434669E-02 -1.7810311E-02 11 -3.2927359E-01 1.8942892E-01 9.1894144E-02 -3.2664935E-02 12 -3.3576643E-01 1.8349997E-01 8.6280933E-02 -3.0285128E-02 13 -1.6518758E-01 -5.6783708E-02 -5.0402553E-02 1.9279448E-02 14 -2.8595724E-02 -4.4173516E-01 -3.1851852E-01 1.2314468E-01 15 -9.5811557E-04 -4.7539836E-01 -3.6415219E-01 1.3856275E-01 16 -1.2950733E-05 -1.4366072E-01 1.8835060E-01 -1.0401180E-01 17 1.4338834E-04 -1.1226641E-02 6.5450741E-01 -3.5736785E-01 18 -5.5422498E-06 -2.4439984E-04 3.5527167E-01 -1.9529401E-01 19 1.0439528E-05 -1.5994337E-04 3.0438439E-02 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-2.8098490E-05 -1.4016114E-02 -1.0730039E-02 4.0828299E-03 37 -4.2068183E-07 -3.0750772E-03 4.0231784E-03 -2.2215278E-03 38 2.2770794E-06 -1.7221398E-04 1.0024581E-02 -5.4726573E-03 39 -9.7583902E-08 -2.5773379E-06 3.8218200E-03 -2.1006824E-03 40 9.3738895E-08 -1.2007386E-06 2.2395779E-04 3.0660566E-03 41 -2.6869511E-08 3.9972427E-07 1.3999716E-05 3.0515030E-03 42 5.3450999E-09 -7.5249230E-08 -2.0032909E-06 5.6751636E-04 3D- 4D- -3.7848256E+01 -5.0269968E+00 ------------ ------------ 1 1.5981771E-04 7.3714603E-05 2 7.9831150E-04 3.6864625E-04 3 4.7755185E-03 2.2157732E-03 4 2.2552041E-02 1.0532234E-02 5 8.0336580E-02 3.8056937E-02 6 2.0239659E-01 9.7381874E-02 7 3.3936986E-01 1.6008516E-01 8 3.5436201E-01 1.4029931E-01 9 1.8268215E-01 -8.9601699E-02 10 3.6299960E-02 -3.8129975E-01 11 2.0771072E-03 -4.4009333E-01 12 8.4950582E-05 -2.1234332E-01 13 1.8282626E-05 -3.6585997E-02 14 5.7587105E-05 2.6590881E-05 15 2.7082963E-04 1.2507860E-04 16 1.1627385E-03 5.3957210E-04 17 3.8249523E-03 1.7863891E-03 18 9.4005187E-03 4.4533680E-03 19 1.6599055E-02 7.9882226E-03 20 1.9835986E-02 9.3611011E-03 21 1.4958735E-02 5.9279967E-03 22 5.5944727E-03 -2.7486838E-03 23 8.0021861E-04 -8.4929422E-03 24 2.7852732E-05 -7.0417019E-03 25 -4.7938740E-07 -2.3954730E-03 26 -1.3219631E-06 -2.8258224E-04 3D+ 4D+ -3.7013850E+01 -4.8738364E+00 ------------ ------------ 1 -6.1067601E-05 -2.8141145E-05 2 -5.2457761E-04 -2.4194839E-04 3 -3.8167446E-03 -1.7678073E-03 4 -2.0103315E-02 -9.3736741E-03 5 -7.5430624E-02 -3.5662713E-02 6 -1.9571864E-01 -9.4103058E-02 7 -3.3556932E-01 -1.5858782E-01 8 -3.5912098E-01 -1.4523575E-01 9 -1.9056527E-01 7.7260190E-02 10 -3.9298036E-02 3.7198689E-01 11 -2.3223293E-03 4.4549977E-01 12 -1.0745613E-04 2.2283598E-01 13 -2.0366031E-05 4.0259119E-02 14 -4.1165637E-05 -1.8950018E-05 15 -2.2216754E-04 -1.0235656E-04 16 -1.0256042E-03 -4.7452743E-04 17 -3.5378321E-03 -1.6480500E-03 18 -8.9679152E-03 -4.2363531E-03 19 -1.6172421E-02 -7.7703586E-03 20 -1.9697408E-02 -9.3038602E-03 21 -1.5203942E-02 -6.1478938E-03 22 -5.8603971E-03 2.3696756E-03 23 -8.7640489E-04 8.2881343E-03 24 -3.7251916E-05 7.1302299E-03 25 -1.1893353E-06 2.5146517E-03 26 -1.6442392E-07 3.1167639E-04 4F- -3.6932210E-01 ------------ 1 -7.4645062E-04 2 -4.5559341E-03 3 -2.3149272E-02 4 -7.7700099E-02 5 -1.8934405E-01 6 -2.9654559E-01 7 -3.2859050E-01 8 -2.7315155E-01 9 -1.7382898E-01 10 -7.6286701E-02 11 -1.6583426E-02 12 -1.2228772E-04 13 -5.0394430E-04 14 -1.7088033E-03 15 -3.8814089E-03 16 -6.4551860E-03 17 -6.9414145E-03 18 -5.2830649E-03 19 -3.0023730E-03 20 -1.2924820E-03 21 -3.7758546E-04 22 -5.3436103E-05 4F+ -3.5541485E-01 ------------ 1 -6.7186241E-04 2 -4.3285559E-03 3 -2.2386634E-02 4 -7.6160082E-02 5 -1.8636090E-01 6 -2.9402723E-01 7 -3.2833390E-01 8 -2.7471927E-01 9 -1.7751021E-01 10 -8.0082893E-02 11 -1.8417068E-02 12 -1.1507582E-04 13 -4.8458877E-04 14 -1.6623934E-03 15 -3.8126932E-03 16 -6.3610718E-03 17 -6.8859591E-03 18 -5.2806240E-03 19 -3.0200881E-03 20 -1.3200427E-03 21 -3.9640339E-04 22 -5.9362625E-05 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -1.6104210E+03 -2.6456087E+02 -5.9147101E+01 -1.2531930E+01 -1.8615481E+00 -1.7421255E-01 ------------ ------------ ------------ ------------ ------------ ------------ 1 1.1201939E-05 -3.9997753E-06 1.8353708E-06 8.7040398E-07 3.4206919E-07 -9.0336934E-08 2 7.2979494E-05 -2.6098915E-05 1.1977956E-05 5.6799583E-06 2.2324123E-06 -5.8953847E-07 3 1.8672919E-04 -6.6965603E-05 3.0748417E-05 1.4584055E-05 5.7317633E-06 -1.5137017E-06 4 4.5247891E-04 -1.6290574E-04 7.4838657E-05 3.5495233E-05 1.3951771E-05 -3.6843946E-06 5 1.0080244E-03 -3.6498960E-04 1.6783763E-04 7.9636315E-05 3.1299468E-05 -8.2660889E-06 6 2.2143326E-03 -8.0739253E-04 3.7159501E-04 1.7629911E-04 6.9306600E-05 -1.8302290E-05 7 4.7290262E-03 -1.7388762E-03 8.0151348E-04 3.8056426E-04 1.4957626E-04 -3.9504905E-05 8 9.9224962E-03 -3.6845424E-03 1.7001603E-03 8.0689576E-04 3.1729435E-04 -8.3786173E-05 9 2.0150739E-02 -7.5786074E-03 3.5059541E-03 1.6666023E-03 6.5500352E-04 -1.7301609E-04 10 3.9291497E-02 -1.5053852E-02 6.9775013E-03 3.3130026E-03 1.3035174E-03 -3.4417008E-04 11 7.2160726E-02 -2.8487289E-02 1.3285734E-02 6.3323888E-03 2.4883944E-03 -6.5748894E-04 12 1.2228460E-01 -5.0745472E-02 2.3802881E-02 1.1317463E-02 4.4592603E-03 -1.1770550E-03 13 1.8464677E-01 -8.3266266E-02 3.9731358E-02 1.9073732E-02 7.4942020E-03 -1.9815669E-03 14 2.3567565E-01 -1.2128266E-01 5.8857851E-02 2.8105048E-02 1.1116619E-02 -2.9322026E-03 15 2.3241563E-01 -1.4331571E-01 7.2639195E-02 3.5590801E-02 1.3969623E-02 -3.7021570E-03 16 1.5406326E-01 -1.0286273E-01 5.2396505E-02 2.4720006E-02 9.9449394E-03 -2.6066524E-03 17 5.4472682E-02 5.4503033E-02 -3.6628772E-02 -1.7381754E-02 -7.2768689E-03 1.8848900E-03 18 7.1584031E-03 3.1451697E-01 -2.4432470E-01 -1.3334329E-01 -5.3303432E-02 1.4204201E-02 19 4.0817794E-04 4.5181317E-01 -4.3808498E-01 -2.4307390E-01 -1.0004512E-01 2.6433235E-02 20 -2.2599936E-05 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1.8645607E-06 8.8490750E-07 3.4761907E-07 -9.1820384E-08 32 1.3661113E-04 -4.8722220E-05 2.2349363E-05 1.0595078E-05 4.1645689E-06 -1.0997291E-06 33 3.9700346E-04 -1.4161540E-04 6.4978399E-05 3.0818886E-05 1.2110764E-05 -3.1984438E-06 34 8.9935273E-04 -3.2092468E-04 1.4722249E-04 6.9793721E-05 2.7433839E-05 -7.2443816E-06 35 1.8324729E-03 -6.5431627E-04 3.0028275E-04 1.4243807E-04 5.5971403E-05 -1.4782300E-05 36 3.4637263E-03 -1.2382960E-03 5.6818881E-04 2.6934526E-04 1.0588022E-04 -2.7958707E-05 37 6.1491171E-03 -2.2035043E-03 1.0119104E-03 4.8014552E-04 1.8866065E-04 -4.9828626E-05 38 1.0305788E-02 -3.7098356E-03 1.7038491E-03 8.0766853E-04 3.1756122E-04 -8.3849966E-05 39 1.6334203E-02 -5.9309053E-03 2.7299364E-03 1.2964867E-03 5.0935875E-04 -1.3454657E-04 40 2.4424973E-02 -9.0118191E-03 4.1538537E-03 1.9695341E-03 7.7480204E-04 -2.0455484E-04 41 3.4183800E-02 -1.2980977E-02 6.0211692E-03 2.8669018E-03 1.1261615E-03 -2.9755972E-04 42 4.4039776E-02 -1.7582273E-02 8.2019231E-03 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2.7666063E-03 -7.6605576E-04 54 -1.0108769E-07 -3.4796261E-06 2.5809726E-04 -1.0883895E-02 -7.1911705E-03 2.0703087E-03 55 7.9718166E-08 -1.1324798E-09 2.4913863E-05 -5.6299409E-03 -6.5149977E-03 2.0043358E-03 56 -3.3668087E-08 -5.1386720E-08 -4.5099890E-06 -2.2235293E-04 2.3339593E-03 -8.3322515E-04 57 1.3385318E-08 4.2905063E-08 9.4685519E-07 -2.8902084E-05 3.6392081E-03 -1.6871171E-03 58 -5.9044065E-09 -5.6154351E-09 -3.5550797E-07 6.6863991E-06 4.5959586E-04 -7.4060641E-04 59 2.2533122E-09 1.4533941E-09 7.8550615E-08 -1.7389093E-06 -1.3420862E-05 1.0756394E-03 60 -6.3294748E-10 -1.8144704E-10 -1.2116498E-08 2.7045533E-07 1.7397165E-06 6.1640168E-04 2P- 3P- 4P- 5P- -2.4963480E+02 -5.2752108E+01 -1.0038791E+01 -1.1076032E+00 ------------ ------------ ------------ ------------ 1 4.7149592E-05 2.2704077E-05 -1.0557154E-05 -3.7898773E-06 2 1.2362895E-04 5.9535609E-05 -2.7682447E-05 -9.9372641E-06 3 3.4704475E-04 1.6719198E-04 -7.7753964E-05 -2.7914232E-05 4 8.5699343E-04 4.1313730E-04 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-3.0242131E-02 -1.6336037E-02 -7.7877030E-03 -2.7340786E-03 32 -3.5592411E-02 -2.0513159E-02 -9.9896296E-03 -3.5311211E-03 33 -2.5616726E-02 -1.3866216E-02 -6.5158769E-03 -2.2709042E-03 34 -8.8531723E-03 3.9529987E-03 3.3085496E-03 1.2520716E-03 35 -1.0568582E-03 1.8536734E-02 1.3533721E-02 5.2141387E-03 36 -2.3400762E-05 1.3750321E-02 1.0430619E-02 3.9194562E-03 37 8.1233602E-09 2.8204457E-03 -4.8157228E-03 -2.5728833E-03 38 2.1278685E-06 1.5477800E-04 -1.0088506E-02 -5.5271049E-03 39 -1.0362515E-07 7.5522835E-07 -3.6171744E-03 -1.8766231E-03 40 9.0346977E-08 1.6963236E-06 -1.9892459E-04 3.1642911E-03 41 -2.7030633E-08 -5.2531516E-07 -1.3773218E-05 3.0322198E-03 42 5.5838104E-09 9.7984281E-08 1.9771152E-06 5.6702143E-04 3D- 4D- -3.9807098E+01 -5.2926647E+00 ------------ ------------ 1 1.7766183E-04 -8.2555447E-05 2 8.8042991E-04 -4.0935717E-04 3 5.2144921E-03 -2.4381500E-03 4 2.4179737E-02 -1.1376463E-02 5 8.4470575E-02 -4.0355963E-02 6 2.0800777E-01 -1.0081680E-01 7 3.4126192E-01 -1.6195032E-01 8 3.4828257E-01 -1.3586619E-01 9 1.7571899E-01 9.8464080E-02 10 3.4865665E-02 3.8185398E-01 11 2.0187516E-03 4.3429230E-01 12 1.4526526E-04 2.0981653E-01 13 2.0455742E-05 3.7482873E-02 14 6.4121664E-05 -2.9840225E-05 15 2.9837035E-04 -1.3872664E-04 16 1.2679282E-03 -5.9296353E-04 17 4.1026929E-03 -1.9303423E-03 18 9.9119702E-03 -4.7357025E-03 19 1.7158492E-02 -8.3182507E-03 20 2.0128144E-02 -9.5567037E-03 21 1.4887692E-02 -5.8137248E-03 22 5.4677589E-03 3.0699389E-03 23 7.8347535E-04 8.6756696E-03 24 2.7272631E-05 7.1138128E-03 25 1.8909361E-07 2.4317271E-03 26 -1.4444852E-06 2.9840354E-04 3D+ 4D+ -3.8899741E+01 -5.1243232E+00 ------------ ------------ 1 -6.8176531E-05 -3.1663293E-05 2 -5.7888416E-04 -2.6874603E-04 3 -4.1643840E-03 -1.9436177E-03 4 -2.1539026E-02 -1.0116268E-02 5 -7.9266352E-02 -3.7790974E-02 6 -2.0111337E-01 -9.7407090E-02 7 -3.3763143E-01 -1.6056186E-01 8 -3.5345408E-01 -1.4129477E-01 9 -1.8372576E-01 8.5637980E-02 10 -3.7861120E-02 3.7251489E-01 11 -2.2666629E-03 4.3998111E-01 12 -1.7016854E-04 2.2058264E-01 13 -2.3430376E-05 4.1377172E-02 14 -4.5677947E-05 -2.1193769E-05 15 -2.4411426E-04 -1.1319392E-04 16 -1.1165210E-03 -5.2053797E-04 17 -3.7908915E-03 -1.7787115E-03 18 -9.4508141E-03 -4.5018105E-03 19 -1.6716159E-02 -8.0903485E-03 20 -2.0000814E-02 -9.5061840E-03 21 -1.5154731E-02 -6.0574855E-03 22 -5.7426178E-03 2.6698416E-03 23 -8.6135211E-04 8.4662890E-03 24 -3.7209224E-05 7.2091877E-03 25 -1.9562208E-06 2.5573604E-03 26 -1.9181184E-07 3.3020951E-04 4F- -3.9897188E-01 ------------ 1 7.5485497E-04 2 4.8176023E-03 3 2.4528811E-02 4 8.1775698E-02 5 1.9487676E-01 6 2.9816358E-01 7 3.2483176E-01 8 2.6731417E-01 9 1.6953485E-01 10 7.4331535E-02 11 1.5962037E-02 12 1.2699073E-04 13 5.4406961E-04 14 1.8432056E-03 15 4.1582855E-03 16 6.7796302E-03 17 7.1516408E-03 18 5.3783620E-03 19 3.0408933E-03 20 1.3098943E-03 21 3.8317748E-04 22 5.3544677E-05 4F+ -3.8220492E-01 ------------ 1 -6.7587370E-04 2 -4.5655070E-03 3 -2.3690237E-02 4 -8.0080667E-02 5 -1.9169082E-01 6 -2.9554685E-01 7 -3.2463207E-01 8 -2.6906933E-01 9 -1.7343508E-01 10 -7.8375249E-02 11 -1.7915705E-02 12 -1.1914315E-04 13 -5.2218460E-04 14 -1.7911369E-03 15 -4.0812021E-03 16 -6.6770830E-03 17 -7.0926616E-03 18 -5.3768963E-03 19 -3.0613870E-03 20 -1.3402420E-03 21 -4.0405445E-04 22 -6.0118958E-05 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -1.6701786E+03 -2.7569980E+02 -6.1898980E+01 -1.3100018E+01 -1.9185804E+00 -1.7650786E-01 ------------ ------------ ------------ ------------ ------------ ------------ 1 1.1094552E-05 3.9775818E-06 1.8308429E-06 -8.7112544E-07 3.4142501E-07 -8.9153233E-08 2 7.1055619E-05 2.5513204E-05 1.1744551E-05 -5.5877880E-06 2.1899746E-06 -5.7177423E-07 3 1.7608898E-04 6.3395487E-05 2.9198394E-05 -1.3894577E-05 5.4459238E-06 -1.4220322E-06 4 4.1603203E-04 1.5032862E-04 6.9264745E-05 -3.2960690E-05 1.2918459E-05 -3.3727524E-06 5 9.0088331E-04 3.2728299E-04 1.5095252E-04 -7.1858816E-05 2.8167245E-05 -7.3554757E-06 6 1.9318271E-03 7.0649370E-04 3.2607535E-04 -1.5521807E-04 6.0838784E-05 -1.5882491E-05 7 4.0370960E-03 1.4884657E-03 6.8814754E-04 -3.2778616E-04 1.2850661E-04 -3.3563136E-05 8 8.3486637E-03 3.1071206E-03 1.4374804E-03 -6.8453769E-04 2.6832209E-04 -7.0033239E-05 9 1.6850676E-02 6.3460683E-03 2.9443786E-03 -1.4039090E-03 5.5054796E-04 -1.4384219E-04 10 3.3022122E-02 1.2643060E-02 5.8717120E-03 -2.7977256E-03 1.0966841E-03 -2.8610831E-04 11 6.1707252E-02 2.4249993E-02 1.1334937E-02 -5.4159848E-03 2.1251424E-03 -5.5564982E-04 12 1.0787683E-01 4.4266398E-02 2.0764335E-02 -9.9098436E-03 3.8852832E-03 -1.0126608E-03 13 1.7055923E-01 7.5302673E-02 3.5927029E-02 -1.7262093E-02 6.7834506E-03 -1.7764498E-03 14 2.3160562E-01 1.1525568E-01 5.5696620E-02 -2.6723497E-02 1.0485207E-02 -2.7271068E-03 15 2.4673245E-01 1.4636164E-01 7.3919820E-02 -3.6078490E-02 1.4238223E-02 -3.7454455E-03 16 1.7830614E-01 1.2088125E-01 6.1552301E-02 -2.9651183E-02 1.1613188E-02 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-2.6040421E+02 -5.5324422E+01 -1.0521664E+01 -1.1392096E+00 ------------ ------------ ------------ ------------ 1 -4.8145770E-05 -2.3270822E-05 1.0864812E-05 -3.8839690E-06 2 -1.2852950E-04 -6.2128332E-05 2.9005929E-05 -1.0368719E-05 3 -3.6078276E-04 -1.7446203E-04 8.1465533E-05 -2.9124036E-05 4 -8.9288564E-04 -4.3206478E-04 2.0174538E-04 -7.2115326E-05 5 -2.2074898E-03 -1.0708584E-03 5.0047759E-04 -1.7897347E-04 6 -5.6530190E-03 -2.7530939E-03 1.2868905E-03 -4.6002067E-04 7 -1.5454291E-02 -7.5985383E-03 3.5629952E-03 -1.2752934E-03 8 -4.2747182E-02 -2.1321341E-02 1.0013636E-02 -3.5820021E-03 9 -1.0894766E-01 -5.6050924E-02 2.6557560E-02 -9.5283913E-03 10 -2.2690919E-01 -1.2181428E-01 5.8106707E-02 -2.0840640E-02 11 -3.4175236E-01 -1.9405626E-01 9.4363385E-02 -3.4073935E-02 12 -3.0788898E-01 -1.4929908E-01 6.7466261E-02 -2.3747484E-02 13 -1.2757635E-01 1.3146381E-01 -9.6873903E-02 3.7110775E-02 14 -1.7195210E-02 4.8354503E-01 -3.5605826E-01 1.4081209E-01 15 -4.9354502E-04 4.2001431E-01 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1.3750321E-02 1.0430619E-02 3.9194564E-03 37 8.1230906E-09 2.8204462E-03 -4.8157221E-03 -2.5728829E-03 38 2.1278689E-06 1.5477803E-04 -1.0088506E-02 -5.5271049E-03 39 -1.0362501E-07 7.5522656E-07 -3.6171746E-03 -1.8766232E-03 40 9.0346831E-08 1.6963230E-06 -1.9892471E-04 3.1642908E-03 41 -2.7030561E-08 -5.2531514E-07 -1.3773207E-05 3.0322196E-03 42 5.5838047E-09 9.7983999E-08 1.9771185E-06 5.6702176E-04 3D- 4D- -3.9807095E+01 -5.2926640E+00 ------------ ------------ 1 1.7766181E-04 -8.2555439E-05 2 8.8042982E-04 -4.0935712E-04 3 5.2144917E-03 -2.4381497E-03 4 2.4179735E-02 -1.1376462E-02 5 8.4470569E-02 -4.0355959E-02 6 2.0800776E-01 -1.0081679E-01 7 3.4126192E-01 -1.6195032E-01 8 3.4828257E-01 -1.3586620E-01 9 1.7571900E-01 9.8464056E-02 10 3.4865672E-02 3.8185397E-01 11 2.0187518E-03 4.3429230E-01 12 1.4526536E-04 2.0981656E-01 13 2.0455733E-05 3.7482884E-02 14 6.4121658E-05 -2.9840222E-05 15 2.9837032E-04 -1.3872662E-04 16 1.2679281E-03 -5.9296347E-04 17 4.1026926E-03 -1.9303422E-03 18 9.9119695E-03 -4.7357021E-03 19 1.7158491E-02 -8.3182502E-03 20 2.0128144E-02 -9.5567034E-03 21 1.4887692E-02 -5.8137252E-03 22 5.4677593E-03 3.0699382E-03 23 7.8347551E-04 8.6756691E-03 24 2.7272635E-05 7.1138129E-03 25 1.8909469E-07 2.4317274E-03 26 -1.4444852E-06 2.9840363E-04 3D+ 4D+ -3.8899738E+01 -5.1243225E+00 ------------ ------------ 1 -6.8176526E-05 -3.1663291E-05 2 -5.7888410E-04 -2.6874600E-04 3 -4.1643837E-03 -1.9436176E-03 4 -2.1539025E-02 -1.0116267E-02 5 -7.9266346E-02 -3.7790971E-02 6 -2.0111336E-01 -9.7407084E-02 7 -3.3763142E-01 -1.6056185E-01 8 -3.5345409E-01 -1.4129478E-01 9 -1.8372578E-01 8.5637957E-02 10 -3.7861126E-02 3.7251487E-01 11 -2.2666632E-03 4.3998111E-01 12 -1.7016862E-04 2.2058267E-01 13 -2.3430372E-05 4.1377184E-02 14 -4.5677943E-05 -2.1193767E-05 15 -2.4411424E-04 -1.1319390E-04 16 -1.1165209E-03 -5.2053793E-04 17 -3.7908912E-03 -1.7787114E-03 18 -9.4508135E-03 -4.5018102E-03 19 -1.6716158E-02 -8.0903480E-03 20 -2.0000813E-02 -9.5061837E-03 21 -1.5154731E-02 -6.0574858E-03 22 -5.7426183E-03 2.6698408E-03 23 -8.6135227E-04 8.4662886E-03 24 -3.7209229E-05 7.2091878E-03 25 -1.9562218E-06 2.5573607E-03 26 -1.9181181E-07 3.3020961E-04 4F- -3.9897143E-01 ------------ 1 7.5485481E-04 2 4.8176014E-03 3 2.4528807E-02 4 8.1775684E-02 5 1.9487673E-01 6 2.9816355E-01 7 3.2483175E-01 8 2.6731418E-01 9 1.6953489E-01 10 7.4331591E-02 11 1.5962073E-02 12 1.2699070E-04 13 5.4406950E-04 14 1.8432053E-03 15 4.1582848E-03 16 6.7796293E-03 17 7.1516401E-03 18 5.3783617E-03 19 3.0408935E-03 20 1.3098946E-03 21 3.8317777E-04 22 5.3544797E-05 4F+ -3.8220448E-01 ------------ 1 -6.7587355E-04 2 -4.5655061E-03 3 -2.3690232E-02 4 -8.0080653E-02 5 -1.9169079E-01 6 -2.9554682E-01 7 -3.2463206E-01 8 -2.6906935E-01 9 -1.7343512E-01 10 -7.8375307E-02 11 -1.7915745E-02 12 -1.1914313E-04 13 -5.2218450E-04 14 -1.7911365E-03 15 -4.0812014E-03 16 -6.6770821E-03 17 -7.0926610E-03 18 -5.3768960E-03 19 -3.0613871E-03 20 -1.3402424E-03 21 -4.0405475E-04 22 -6.0119093E-05 ******************** SAMARIUM SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1712712792E+09 0.1000000000E+01 0.1000000000E+01 2 0.4502418042E+08 0.1000000000E+01 0.1000000000E+01 3 0.1301400306E+08 0.1000000000E+01 0.1000000000E+01 4 0.4110625144E+07 0.1000000000E+01 0.1000000000E+01 5 0.1410148315E+07 0.1000000000E+01 0.1000000000E+01 6 0.5221673673E+06 0.1000000000E+01 0.1000000000E+01 7 0.2074296073E+06 0.1000000000E+01 0.1000000000E+01 8 0.8785690779E+05 0.1000000000E+01 0.1000000000E+01 9 0.3943240818E+05 0.1000000000E+01 0.1000000000E+01 10 0.1863935901E+05 0.1000000000E+01 0.1000000000E+01 11 0.9222252294E+04 0.1000000000E+01 0.1000000000E+01 12 0.4746783732E+04 0.1000000000E+01 0.1000000000E+01 13 0.2526075806E+04 0.1000000000E+01 0.1000000000E+01 14 0.1381356796E+04 0.1000000000E+01 0.1000000000E+01 15 0.7714467980E+03 0.1000000000E+01 0.1000000000E+01 16 0.4372952731E+03 0.1000000000E+01 0.1000000000E+01 17 0.2500577636E+03 0.1000000000E+01 0.1000000000E+01 18 0.1433609028E+03 0.1000000000E+01 0.1000000000E+01 19 0.8189813353E+02 0.1000000000E+01 0.1000000000E+01 20 0.4633383427E+02 0.1000000000E+01 0.1000000000E+01 21 0.2580070094E+02 0.1000000000E+01 0.1000000000E+01 22 0.1405406194E+02 0.1000000000E+01 0.1000000000E+01 23 0.7442817731E+01 0.1000000000E+01 0.1000000000E+01 24 0.3808606755E+01 0.1000000000E+01 0.1000000000E+01 25 0.1871613546E+01 0.1000000000E+01 0.1000000000E+01 26 0.8778404535E+00 0.1000000000E+01 0.1000000000E+01 27 0.3905642005E+00 0.1000000000E+01 0.1000000000E+01 28 0.1638229621E+00 0.1000000000E+01 0.1000000000E+01 29 0.6438588683E-01 0.1000000000E+01 0.1000000000E+01 30 0.2356504229E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.1270362312E+08 0.1000000000E+01 0.1000000000E+01 2 0.2449662952E+07 0.1000000000E+01 0.1000000000E+01 3 0.5518602090E+06 0.1000000000E+01 0.1000000000E+01 4 0.1433632152E+06 0.1000000000E+01 0.1000000000E+01 5 0.4239105039E+05 0.1000000000E+01 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0.1000000000E+01 D- 1 0.7706916812E+04 0.1000000000E+01 0.1000000000E+01 2 0.2497594654E+04 0.1000000000E+01 0.1000000000E+01 3 0.9157489831E+03 0.1000000000E+01 0.1000000000E+01 4 0.3731772534E+03 0.1000000000E+01 0.1000000000E+01 5 0.1660386290E+03 0.1000000000E+01 0.1000000000E+01 6 0.7923725004E+02 0.1000000000E+01 0.1000000000E+01 7 0.3984253457E+02 0.1000000000E+01 0.1000000000E+01 8 0.2073637579E+02 0.1000000000E+01 0.1000000000E+01 9 0.1097382701E+02 0.1000000000E+01 0.1000000000E+01 10 0.5800878238E+01 0.1000000000E+01 0.1000000000E+01 11 0.3008921100E+01 0.1000000000E+01 0.1000000000E+01 12 0.1504458755E+01 0.1000000000E+01 0.1000000000E+01 13 0.7123168769E+00 0.1000000000E+01 0.1000000000E+01 D+ 1 0.7706916812E+04 0.1000000000E+01 0.1000000000E+01 2 0.2497594654E+04 0.1000000000E+01 0.1000000000E+01 3 0.9157489831E+03 0.1000000000E+01 0.1000000000E+01 4 0.3731772534E+03 0.1000000000E+01 0.1000000000E+01 5 0.1660386290E+03 0.1000000000E+01 0.1000000000E+01 6 0.7923725004E+02 0.1000000000E+01 0.1000000000E+01 7 0.3984253457E+02 0.1000000000E+01 0.1000000000E+01 8 0.2073637579E+02 0.1000000000E+01 0.1000000000E+01 9 0.1097382701E+02 0.1000000000E+01 0.1000000000E+01 10 0.5800878238E+01 0.1000000000E+01 0.1000000000E+01 11 0.3008921100E+01 0.1000000000E+01 0.1000000000E+01 12 0.1504458755E+01 0.1000000000E+01 0.1000000000E+01 13 0.7123168769E+00 0.1000000000E+01 0.1000000000E+01 F- 1 0.3126018494E+03 0.1000000000E+01 0.1000000000E+01 2 0.1252448045E+03 0.1000000000E+01 0.1000000000E+01 3 0.5367478840E+02 0.1000000000E+01 0.1000000000E+01 4 0.2422282759E+02 0.1000000000E+01 0.1000000000E+01 5 0.1133247160E+02 0.1000000000E+01 0.1000000000E+01 6 0.5410920756E+01 0.1000000000E+01 0.1000000000E+01 7 0.2595767977E+01 0.1000000000E+01 0.1000000000E+01 8 0.1231714796E+01 0.1000000000E+01 0.1000000000E+01 9 0.5691221221E+00 0.1000000000E+01 0.1000000000E+01 10 0.2520886111E+00 0.1000000000E+01 0.1000000000E+01 11 0.1053791915E+00 0.1000000000E+01 0.1000000000E+01 F+ 1 0.3126018494E+03 0.1000000000E+01 0.1000000000E+01 2 0.1252448045E+03 0.1000000000E+01 0.1000000000E+01 3 0.5367478840E+02 0.1000000000E+01 0.1000000000E+01 4 0.2422282759E+02 0.1000000000E+01 0.1000000000E+01 5 0.1133247160E+02 0.1000000000E+01 0.1000000000E+01 6 0.5410920756E+01 0.1000000000E+01 0.1000000000E+01 7 0.2595767977E+01 0.1000000000E+01 0.1000000000E+01 8 0.1231714796E+01 0.1000000000E+01 0.1000000000E+01 9 0.5691221221E+00 0.1000000000E+01 0.1000000000E+01 10 0.2520886111E+00 0.1000000000E+01 0.1000000000E+01 11 0.1053791915E+00 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ F- F+ NUMBER OF CLOSED SHELLS 6 4 4 2 2 0 0 OPEN SHELLS 0 0 0 0 0 1 1 NUMBER OF OPEN SHELL CONFG 7 CONF OPEN SHELL OCCUPATION NUMBERS 1 0.0 0.0 0.0 0.0 0.0 6.0 0.0 2 0.0 0.0 0.0 0.0 0.0 5.0 1.0 3 0.0 0.0 0.0 0.0 0.0 4.0 2.0 4 0.0 0.0 0.0 0.0 0.0 3.0 3.0 5 0.0 0.0 0.0 0.0 0.0 2.0 4.0 6 0.0 0.0 0.0 0.0 0.0 1.0 5.0 7 0.0 0.0 0.0 0.0 0.0 0.0 6.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -1.7312082E+03 -2.8711003E+02 -6.4711955E+01 -1.3675205E+01 -1.9751555E+00 -1.7881133E-01 ------------ ------------ ------------ ------------ ------------ ------------ 1 7.6065520E-06 -2.7377072E-06 -1.2638765E-06 6.0316329E-07 -2.3571288E-07 -6.0898098E-08 2 7.7526759E-05 -2.7949861E-05 -1.2903820E-05 6.1577166E-06 -2.4061115E-06 -6.2151846E-07 3 1.7774846E-04 -6.4261889E-05 -2.9685290E-05 1.4168468E-05 -5.5369349E-06 -1.4304348E-06 4 4.2857289E-04 -1.5548618E-04 -7.1849924E-05 3.4293339E-05 -1.3400287E-05 -3.4612852E-06 5 9.0468131E-04 -3.3003101E-04 -1.5267334E-04 7.2894715E-05 -2.8489933E-05 -7.3607472E-06 6 1.9333495E-03 -7.0992563E-04 -3.2861238E-04 1.5689681E-04 -6.1309071E-05 -1.5834567E-05 7 3.9804253E-03 -1.4737632E-03 -6.8340979E-04 3.2649705E-04 -1.2763620E-04 -3.2982536E-05 8 8.1783662E-03 -3.0565573E-03 -1.4181897E-03 6.7740950E-04 -2.6469229E-04 -6.8346914E-05 9 1.6370565E-02 -6.1914660E-03 -2.8815348E-03 1.3779842E-03 -5.3891809E-04 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------------ 1 6.1079268E-05 2.8542001E-05 2 5.3076526E-04 2.4795626E-04 3 3.8884648E-03 1.8258784E-03 4 2.0539252E-02 9.7058833E-03 5 7.7072963E-02 3.6963188E-02 6 1.9899556E-01 9.7012570E-02 7 3.3849352E-01 1.6220337E-01 8 3.5643063E-01 1.4355141E-01 9 1.8489841E-01 -8.7101124E-02 10 3.7683716E-02 -3.7617407E-01 11 2.3045801E-03 -4.3912268E-01 12 1.8716449E-04 -2.1755054E-01 13 3.7176882E-05 -4.0457345E-02 14 4.2441549E-05 1.9812509E-05 15 2.3225457E-04 1.0836646E-04 16 1.0802230E-03 5.0664883E-04 17 3.7371366E-03 1.7641544E-03 18 9.4768793E-03 4.5407831E-03 19 1.7019029E-02 8.2905432E-03 20 2.0591430E-02 9.8614793E-03 21 1.5667500E-02 6.3092941E-03 22 5.9171236E-03 -2.7798638E-03 23 8.7683610E-04 -8.7438974E-03 24 3.8673823E-05 -7.3531950E-03 25 2.1946041E-06 -2.5762119E-03 26 3.0928367E-07 -3.2965080E-04 4F- -4.2457589E-01 ------------ 1 6.3776453E-04 2 4.2900922E-03 3 2.2757237E-02 4 7.7267831E-02 5 1.8738857E-01 6 2.9261795E-01 7 3.2392256E-01 8 2.7205087E-01 9 1.7610791E-01 10 7.9783271E-02 11 1.7667276E-02 12 1.1389010E-04 13 5.1227289E-04 14 1.8034717E-03 15 4.1434012E-03 16 6.8898790E-03 17 7.4438736E-03 18 5.7097843E-03 19 3.3041729E-03 20 1.4539817E-03 21 4.3843693E-04 22 6.2756327E-05 4F+ -4.0466804E-01 ------------ 1 5.6428203E-04 2 4.0449353E-03 3 2.1910338E-02 4 7.5535708E-02 5 1.8411035E-01 6 2.8967929E-01 7 3.2354259E-01 8 2.7380365E-01 9 1.8015797E-01 10 8.4258862E-02 11 1.9967483E-02 12 1.0624025E-04 13 4.9008648E-04 14 1.7482408E-03 15 4.0606525E-03 16 6.7786244E-03 17 7.3736071E-03 18 5.7052239E-03 19 3.3261301E-03 20 1.4876689E-03 21 4.6307789E-04 22 7.0949930E-05 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -1.7312101E+03 -2.8711027E+02 -6.4712006E+01 -1.3675217E+01 -1.9751573E+00 -1.7881143E-01 ------------ ------------ ------------ ------------ ------------ ------------ 1 1.1270190E-05 4.0571879E-06 -1.8730069E-06 8.9384500E-07 3.4930109E-07 9.0241064E-08 2 7.3924681E-05 2.6652844E-05 -1.2305083E-05 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-4.0457358E-02 14 4.2441546E-05 1.9812507E-05 15 2.3225454E-04 1.0836645E-04 16 1.0802229E-03 5.0664878E-04 17 3.7371363E-03 1.7641543E-03 18 9.4768785E-03 4.5407827E-03 19 1.7019028E-02 8.2905426E-03 20 2.0591429E-02 9.8614790E-03 21 1.5667500E-02 6.3092945E-03 22 5.9171242E-03 -2.7798630E-03 23 8.7683628E-04 -8.7438969E-03 24 3.8673829E-05 -7.3531951E-03 25 2.1946048E-06 -2.5762122E-03 26 3.0928391E-07 -3.2965091E-04 4F- -4.2457538E-01 ------------ 1 6.3776438E-04 2 4.2900913E-03 3 2.2757232E-02 4 7.7267818E-02 5 1.8738855E-01 6 2.9261792E-01 7 3.2392254E-01 8 2.7205088E-01 9 1.7610795E-01 10 7.9783328E-02 11 1.7667316E-02 12 1.1389008E-04 13 5.1227279E-04 14 1.8034714E-03 15 4.1434005E-03 16 6.8898780E-03 17 7.4438729E-03 18 5.7097840E-03 19 3.3041731E-03 20 1.4539821E-03 21 4.3843725E-04 22 6.2756470E-05 4F+ -4.0466753E-01 ------------ 1 5.6428190E-04 2 4.0449344E-03 3 2.1910334E-02 4 7.5535694E-02 5 1.8411032E-01 6 2.8967926E-01 7 3.2354258E-01 8 2.7380366E-01 9 1.8015801E-01 10 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0.1000000000E+01 0.1000000000E+01 9 0.6595429015E+00 0.1000000000E+01 0.1000000000E+01 10 0.2957431487E+00 0.1000000000E+01 0.1000000000E+01 11 0.1251917406E+00 0.1000000000E+01 0.1000000000E+01 F+ 1 0.3141936420E+03 0.1000000000E+01 0.1000000000E+01 2 0.1292530954E+03 0.1000000000E+01 0.1000000000E+01 3 0.5668323094E+02 0.1000000000E+01 0.1000000000E+01 4 0.2610001359E+02 0.1000000000E+01 0.1000000000E+01 5 0.1242801501E+02 0.1000000000E+01 0.1000000000E+01 6 0.6027540140E+01 0.1000000000E+01 0.1000000000E+01 7 0.2932636039E+01 0.1000000000E+01 0.1000000000E+01 8 0.1409802721E+01 0.1000000000E+01 0.1000000000E+01 9 0.6595429015E+00 0.1000000000E+01 0.1000000000E+01 10 0.2957431487E+00 0.1000000000E+01 0.1000000000E+01 11 0.1251917406E+00 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ F- F+ NUMBER OF CLOSED SHELLS 6 4 4 2 2 0 0 OPEN SHELLS 0 0 0 0 0 1 1 NUMBER OF OPEN SHELL CONFG 7 CONF OPEN SHELL OCCUPATION NUMBERS 1 0.0 0.0 0.0 0.0 0.0 6.0 1.0 2 0.0 0.0 0.0 0.0 0.0 5.0 2.0 3 0.0 0.0 0.0 0.0 0.0 4.0 3.0 4 0.0 0.0 0.0 0.0 0.0 3.0 4.0 5 0.0 0.0 0.0 0.0 0.0 2.0 5.0 6 0.0 0.0 0.0 0.0 0.0 1.0 6.0 7 0.0 0.0 0.0 0.0 0.0 0.0 7.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -1.7935411E+03 -2.9879914E+02 -6.7589091E+01 -1.4259036E+01 -2.0315763E+00 -1.8107517E-01 ------------ ------------ ------------ ------------ ------------ ------------ 1 7.7855748E-06 2.8137099E-06 1.3026136E-06 -6.2330671E-07 2.4281087E-07 6.2091948E-08 2 8.0326940E-05 2.9079258E-05 1.3463193E-05 -6.4422401E-06 2.5096729E-06 6.4165934E-07 3 1.7948514E-04 6.5157610E-05 3.0183812E-05 -1.4445118E-05 5.6273611E-06 1.4389651E-06 4 4.2731629E-04 1.5565474E-04 7.2130497E-05 -3.4521984E-05 1.3449255E-05 3.4385168E-06 5 8.8161964E-04 3.2288908E-04 1.4978619E-04 -7.1706472E-05 2.7936280E-05 7.1440531E-06 6 1.8496730E-03 6.8177529E-04 3.1646560E-04 -1.5151861E-04 5.9035301E-05 1.5091922E-05 7 3.7228764E-03 1.3835146E-03 6.4332399E-04 -3.0814333E-04 1.2006151E-04 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------------ 1 7.0790846E-04 2 4.3707476E-03 3 2.2411498E-02 4 7.4267447E-02 5 1.7966036E-01 6 2.8404055E-01 7 3.1968265E-01 8 2.7453269E-01 9 1.8294371E-01 10 8.7694165E-02 11 2.2402102E-02 12 1.2660320E-04 13 5.2998497E-04 14 1.8237501E-03 15 4.1325676E-03 16 6.9160864E-03 17 7.6255026E-03 18 5.9891679E-03 19 3.5671296E-03 20 1.6259458E-03 21 5.2196852E-04 22 8.6734955E-05 4F+ -4.2342470E-01 ------------ 1 -6.2473788E-04 2 -4.1138801E-03 3 -2.1529361E-02 4 -7.2496290E-02 5 -1.7630961E-01 6 -2.8083315E-01 7 -3.1906819E-01 8 -2.7621120E-01 9 -1.8703217E-01 10 -9.2523479E-02 11 -2.5345839E-02 12 -1.1786398E-04 13 -5.0619891E-04 14 -1.7647691E-03 15 -4.0447477E-03 16 -6.7973139E-03 17 -7.5444913E-03 18 -5.9801569E-03 19 -3.5897459E-03 20 -1.6625938E-03 21 -5.5077163E-04 22 -9.8162495E-05 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -1.7935432E+03 -2.9879941E+02 -6.7589139E+01 -1.4259043E+01 -2.0315762E+00 -1.8107510E-01 ------------ ------------ 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-8.2690327E-05 2 -7.8855979E-04 -3.7161174E-04 3 -4.4684795E-03 -2.1121287E-03 4 -2.0455656E-02 -9.7441793E-03 5 -7.3022000E-02 -3.5221311E-02 6 -1.8958853E-01 -9.3099409E-02 7 -3.3288970E-01 -1.6079934E-01 8 -3.6475387E-01 -1.5112008E-01 9 -1.9600840E-01 7.9849166E-02 10 -3.9248684E-02 3.8733142E-01 11 -2.5021360E-03 4.4541242E-01 12 -1.0858106E-04 2.1003495E-01 13 -6.6666885E-05 3.4864787E-02 14 -6.3348569E-05 -2.9773075E-05 15 -2.7789619E-04 -1.3102618E-04 16 -1.1506689E-03 -5.4393161E-04 17 -3.7427094E-03 -1.7830189E-03 18 -9.3079426E-03 -4.4897088E-03 19 -1.7020060E-02 -8.3597428E-03 20 -2.1315394E-02 -1.0301296E-02 21 -1.6839789E-02 -6.9840298E-03 22 -6.5411291E-03 2.6690643E-03 23 -9.3779139E-04 9.3599071E-03 24 -3.6404043E-05 7.6928948E-03 25 5.3354860E-07 2.5445265E-03 26 1.2394365E-06 2.8772965E-04 3D+ 4D+ -4.2766978E+01 -5.6244382E+00 ------------ ------------ 1 -6.3000540E-05 2.9526033E-05 2 -4.9815577E-04 2.3452236E-04 3 -3.4606304E-03 1.6318924E-03 4 -1.7916218E-02 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16 6.9160779E-03 17 7.6254945E-03 18 5.9891642E-03 19 3.5671310E-03 20 1.6259497E-03 21 5.2197174E-04 22 8.6736290E-05 4F+ -4.2341963E-01 ------------ 1 -6.2473702E-04 2 -4.1138746E-03 3 -2.1529332E-02 4 -7.2496193E-02 5 -1.7630939E-01 6 -2.8083284E-01 7 -3.1906798E-01 8 -2.7621129E-01 9 -1.8703261E-01 10 -9.2524037E-02 11 -2.5346224E-02 12 -1.1786382E-04 13 -5.0619822E-04 14 -1.7647667E-03 15 -4.0447423E-03 16 -6.7973053E-03 17 -7.5444830E-03 18 -5.9801529E-03 19 -3.5897471E-03 20 -1.6625977E-03 21 -5.5077495E-04 22 -9.8163989E-05 ******************** GADOLINIUM SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1691090010E+09 0.1000000000E+01 0.1000000000E+01 2 0.4478131255E+08 0.1000000000E+01 0.1000000000E+01 3 0.1305765757E+08 0.1000000000E+01 0.1000000000E+01 4 0.4166019649E+07 0.1000000000E+01 0.1000000000E+01 5 0.1445154089E+07 0.1000000000E+01 0.1000000000E+01 6 0.5416179157E+06 0.1000000000E+01 0.1000000000E+01 7 0.2179250386E+06 0.1000000000E+01 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0.1591000454E+03 0.1000000000E+01 0.1000000000E+01 3 0.7054733286E+02 0.1000000000E+01 0.1000000000E+01 4 0.3313412018E+02 0.1000000000E+01 0.1000000000E+01 5 0.1618539532E+02 0.1000000000E+01 0.1000000000E+01 6 0.8074073155E+01 0.1000000000E+01 0.1000000000E+01 7 0.4038797006E+01 0.1000000000E+01 0.1000000000E+01 8 0.1989160489E+01 0.1000000000E+01 0.1000000000E+01 9 0.9471408152E+00 0.1000000000E+01 0.1000000000E+01 10 0.4281093228E+00 0.1000000000E+01 0.1000000000E+01 11 0.1803676722E+00 0.1000000000E+01 0.1000000000E+01 F+ 1 0.3870580284E+03 0.1000000000E+01 0.1000000000E+01 2 0.1591000454E+03 0.1000000000E+01 0.1000000000E+01 3 0.7054733286E+02 0.1000000000E+01 0.1000000000E+01 4 0.3313412018E+02 0.1000000000E+01 0.1000000000E+01 5 0.1618539532E+02 0.1000000000E+01 0.1000000000E+01 6 0.8074073155E+01 0.1000000000E+01 0.1000000000E+01 7 0.4038797006E+01 0.1000000000E+01 0.1000000000E+01 8 0.1989160489E+01 0.1000000000E+01 0.1000000000E+01 9 0.9471408152E+00 0.1000000000E+01 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4.5282166E-08 1.5617691E-08 2 1.2830669E-06 6.3708747E-07 2.9982958E-07 1.0279037E-07 3 8.3931540E-06 4.1984547E-06 1.9894428E-06 6.8548567E-07 4 4.9607573E-05 2.4733662E-05 1.1661345E-05 4.0018514E-06 5 2.7078903E-04 1.3588499E-04 6.4395246E-05 2.2179076E-05 6 1.3357952E-03 6.6982510E-04 3.1635469E-04 1.0863803E-04 7 5.8566902E-03 2.9631732E-03 1.4063263E-03 4.8439755E-04 8 2.2112480E-02 1.1281732E-02 5.3497298E-03 1.8388079E-03 9 7.0080741E-02 3.6739845E-02 1.7577030E-02 6.0639950E-03 10 1.7551194E-01 9.5520173E-02 4.5943278E-02 1.5832030E-02 11 3.1914565E-01 1.8501790E-01 9.0802695E-02 3.1511566E-02 12 3.5727574E-01 2.0373366E-01 9.8286609E-02 3.3766794E-02 13 1.9044325E-01 -2.7848571E-02 -3.5636573E-02 -1.3587169E-02 14 3.3635638E-02 -4.5124703E-01 -3.3254344E-01 -1.2575138E-01 15 1.1001868E-03 -4.9188934E-01 -3.7904389E-01 -1.4025889E-01 16 -7.9232575E-05 -1.3650565E-01 2.3645242E-01 1.2397020E-01 17 -7.6658532E-05 -9.6324080E-03 6.6654504E-01 3.5988221E-01 18 -2.0112934E-05 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1.4961831E-03 -1.9928515E-02 -1.4671430E-02 -5.5470507E-03 36 3.5268442E-05 -1.5738766E-02 -1.2120174E-02 -4.4848644E-03 37 -1.7838038E-06 -3.1418615E-03 5.4298442E-03 2.8464320E-03 38 -1.2776326E-06 -1.5763828E-04 1.0889202E-02 5.8782177E-03 39 -2.1799968E-07 6.8428681E-08 3.6012832E-03 1.6901945E-03 40 2.7131106E-08 -2.2075083E-06 1.6981301E-04 -3.3846873E-03 41 -5.2955401E-09 6.5709414E-07 1.4702939E-05 -3.0791634E-03 42 6.4201257E-10 -1.2397793E-07 -2.1789531E-06 -5.8231549E-04 3D- 4D- -4.5905192E+01 -6.0949068E+00 ------------ ------------ 1 1.5769554E-04 7.4414519E-05 2 7.4999397E-04 3.5569387E-04 3 4.2915502E-03 2.0372480E-03 4 1.9774123E-02 9.4770784E-03 5 6.9754878E-02 3.3783778E-02 6 1.7898213E-01 8.8455201E-02 7 3.1461168E-01 1.5299491E-01 8 3.5962511E-01 1.5645092E-01 9 2.1735111E-01 -3.7684282E-02 10 5.3641680E-02 -3.4134538E-01 11 4.3214534E-03 -4.5864156E-01 12 2.1348392E-04 -2.5664343E-01 13 8.9189588E-05 -5.2381474E-02 14 5.7346555E-05 2.7036547E-05 15 2.6908367E-04 1.2774762E-04 16 1.1348078E-03 5.3867023E-04 17 3.7165099E-03 1.7814608E-03 18 9.1619012E-03 4.4373568E-03 19 1.6656084E-02 8.2334938E-03 20 2.1063350E-02 1.0248178E-02 21 1.7539177E-02 7.6374760E-03 22 7.7459522E-03 -1.3431128E-03 23 1.3852181E-03 -8.8909011E-03 24 7.2777593E-05 -8.6020983E-03 25 4.9328690E-07 -3.3897615E-03 26 -1.4368275E-06 -4.7115999E-04 3D+ 4D+ -4.4749889E+01 -5.8749155E+00 ------------ ------------ 1 -5.2717092E-05 -2.4767818E-05 2 -4.5675178E-04 -2.1652681E-04 3 -3.2779755E-03 -1.5518035E-03 4 -1.7194621E-02 -8.2246473E-03 5 -6.4538737E-02 -3.1173591E-02 6 -1.7158454E-01 -8.4685223E-02 7 -3.0936086E-01 -1.5061289E-01 8 -3.6335059E-01 -1.6061207E-01 9 -2.2656018E-01 2.4470305E-02 10 -5.8210606E-02 3.2863489E-01 11 -4.8492296E-03 4.6204161E-01 12 -2.5024756E-04 2.6935983E-01 13 -9.7766890E-05 5.8145284E-02 14 -3.8630655E-05 -1.8110482E-05 15 -2.1302876E-04 -1.0088573E-04 16 -9.7740852E-04 -4.6206860E-04 17 -3.3842912E-03 -1.6169955E-03 18 -8.6500532E-03 -4.1737657E-03 19 -1.6120765E-02 -7.9494632E-03 20 -2.0824652E-02 -1.0131528E-02 21 -1.7783407E-02 -7.8584634E-03 22 -8.1106246E-03 8.6903676E-04 23 -1.5187232E-03 8.5634367E-03 24 -9.1159278E-05 8.6688922E-03 25 -3.2689251E-06 3.5590316E-03 26 -8.9237196E-07 5.2415275E-04 4F- -4.6556714E-01 ------------ 1 4.9977487E-04 2 3.0415965E-03 3 1.6290230E-02 4 5.5111181E-02 5 1.4058160E-01 6 2.4695896E-01 7 3.0714532E-01 8 2.9453570E-01 9 2.2016882E-01 10 1.2289812E-01 11 4.3072555E-02 12 9.7606306E-05 13 4.0660474E-04 14 1.4741210E-03 15 3.4501604E-03 16 6.1712093E-03 17 7.6703857E-03 18 6.7516978E-03 19 4.5454185E-03 20 2.3448524E-03 21 8.8007964E-04 22 2.0018930E-04 4F+ -4.3843171E-01 ------------ 1 4.3195337E-04 2 2.8372279E-03 3 1.5544812E-02 4 5.3575967E-02 5 1.3763821E-01 6 2.4324044E-01 7 3.0548731E-01 8 2.9538908E-01 9 2.2368587E-01 10 1.2803829E-01 11 4.7850979E-02 12 9.0044962E-05 13 3.8629138E-04 14 1.4197124E-03 15 3.3655519E-03 16 6.0534283E-03 17 7.5618818E-03 18 6.7187460E-03 19 4.5599702E-03 20 2.3828164E-03 21 9.1701516E-04 22 2.2244615E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -1.8571847E+03 -3.1077105E+02 -7.0531926E+01 -1.4852059E+01 -2.0876085E+00 -1.8316935E-01 ------------ ------------ ------------ ------------ ------------ ------------ 1 -1.2888487E-05 4.6785613E-06 2.1717614E-06 -1.0417978E-06 4.0456305E-07 1.0245212E-07 2 -8.4890445E-05 3.0864049E-05 1.4328869E-05 -6.8734510E-06 2.6694040E-06 6.7593683E-07 3 -2.0586993E-04 7.5057453E-05 3.4864068E-05 -1.6726756E-05 6.4958028E-06 1.6449944E-06 4 -4.7553319E-04 1.7402399E-04 8.0870435E-05 -3.8801024E-05 1.5069972E-05 3.8158914E-06 5 -9.9934131E-04 3.6775617E-04 1.7107247E-04 -8.2104746E-05 3.1886510E-05 8.0753533E-06 6 -2.0793180E-03 7.7045091E-04 3.5868308E-04 -1.7215788E-04 6.6874431E-05 1.6932350E-05 7 -4.2009151E-03 1.5698475E-03 7.3204768E-04 -3.5155634E-04 1.3653635E-04 3.4582806E-05 8 -8.4084489E-03 3.1728501E-03 1.4809170E-03 -7.1114892E-04 2.7631862E-04 6.9951414E-05 9 -1.6437882E-02 6.2780672E-03 2.9381813E-03 -1.4123826E-03 5.4852243E-04 1.3897424E-04 10 -3.1340399E-02 1.2163331E-02 5.6996506E-03 -2.7389330E-03 1.0647592E-03 2.6944846E-04 11 -5.7287069E-02 2.2783947E-02 1.0738342E-02 -5.1717671E-03 2.0083728E-03 5.0915973E-04 12 -9.8882540E-02 4.0894432E-02 1.9343695E-02 -9.3116927E-03 3.6239421E-03 9.1637904E-04 13 -1.5636446E-01 6.9021255E-02 3.3136500E-02 -1.6036726E-02 6.2279286E-03 1.5809362E-03 14 -2.1684585E-01 1.0634504E-01 5.1676377E-02 -2.5009299E-02 9.7596805E-03 2.4640118E-03 15 -2.4365951E-01 1.3993616E-01 7.0638188E-02 -3.4640282E-02 1.3457971E-02 3.4275222E-03 16 -1.9535961E-01 1.3050427E-01 6.6934387E-02 -3.2682669E-02 1.2862763E-02 3.2237036E-03 17 -9.0053368E-02 1.3871144E-02 4.5377988E-03 -2.3224906E-03 6.9616147E-04 2.4296626E-04 18 -1.6651632E-02 -2.4415931E-01 -1.8327602E-01 9.8893924E-02 -3.9056444E-02 -1.0041793E-02 19 -8.8080340E-04 -4.6574359E-01 -4.2892600E-01 2.4141060E-01 -9.7690010E-02 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------------ ------------ 1 -5.2717088E-05 -2.4767820E-05 2 -4.5675173E-04 -2.1652682E-04 3 -3.2779752E-03 -1.5518036E-03 4 -1.7194619E-02 -8.2246480E-03 5 -6.4538732E-02 -3.1173594E-02 6 -1.7158453E-01 -8.4685233E-02 7 -3.0936085E-01 -1.5061291E-01 8 -3.6335059E-01 -1.6061210E-01 9 -2.2656020E-01 2.4470311E-02 10 -5.8210603E-02 3.2863499E-01 11 -4.8492267E-03 4.6204166E-01 12 -2.5024726E-04 2.6935972E-01 13 -9.7767004E-05 5.8145204E-02 14 -3.8630652E-05 -1.8110483E-05 15 -2.1302874E-04 -1.0088574E-04 16 -9.7740844E-04 -4.6206863E-04 17 -3.3842910E-03 -1.6169956E-03 18 -8.6500526E-03 -4.1737660E-03 19 -1.6120764E-02 -7.9494640E-03 20 -2.0824652E-02 -1.0131530E-02 21 -1.7783407E-02 -7.8584649E-03 22 -8.1106250E-03 8.6903696E-04 23 -1.5187231E-03 8.5634392E-03 24 -9.1159223E-05 8.6688933E-03 25 -3.2689211E-06 3.5590302E-03 26 -8.9237295E-07 5.2415203E-04 4F- -4.6557117E-01 ------------ 1 4.9977525E-04 2 3.0415989E-03 3 1.6290243E-02 4 5.5111227E-02 5 1.4058172E-01 6 2.4695917E-01 7 3.0714551E-01 8 2.9453572E-01 9 2.2016856E-01 10 1.2289772E-01 11 4.3072210E-02 12 9.7606382E-05 13 4.0660506E-04 14 1.4741222E-03 15 3.4501632E-03 16 6.1712146E-03 17 7.6703920E-03 18 6.7517020E-03 19 4.5454188E-03 20 2.3448497E-03 21 8.8007680E-04 22 2.0018770E-04 4F+ -4.3843567E-01 ------------ 1 4.3195371E-04 2 2.8372302E-03 3 1.5544825E-02 4 5.3576013E-02 5 1.3763833E-01 6 2.4324065E-01 7 3.0548751E-01 8 2.9538911E-01 9 2.2368562E-01 10 1.2803789E-01 11 4.7850602E-02 12 9.0045034E-05 13 3.8629170E-04 14 1.4197136E-03 15 3.3655548E-03 16 6.0534337E-03 17 7.5618883E-03 18 6.7187504E-03 19 4.5599707E-03 20 2.3828137E-03 21 9.1701227E-04 22 2.2244440E-04 ____________________ SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1713671853E+09 0.1000000000E+01 0.1000000000E+01 2 0.4630040864E+08 0.1000000000E+01 0.1000000000E+01 3 0.1374712740E+08 0.1000000000E+01 0.1000000000E+01 4 0.4457498385E+07 0.1000000000E+01 0.1000000000E+01 5 0.1568572747E+07 0.1000000000E+01 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0.0 0.0 1.0 0.0 7.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -1.8574408E+03 -3.1105256E+02 -7.0848118E+01 -1.5155071E+01 -2.2517545E+00 -1.9950388E-01 ------------ ------------ ------------ ------------ ------------ ------------ 1 7.8798683E-06 -2.8595041E-06 -1.3271663E-06 6.3792608E-07 2.5338342E-07 -6.8570953E-08 2 8.5601175E-05 -3.1117630E-05 -1.4446404E-05 6.9438338E-06 2.7593690E-06 -7.4665076E-07 3 1.9008432E-04 -6.9296433E-05 -3.2184878E-05 1.5472359E-05 6.1467010E-06 -1.6633702E-06 4 4.4997962E-04 -1.6460721E-04 -7.6492694E-05 3.6774593E-05 1.4615752E-05 -3.9547610E-06 5 9.1789701E-04 -3.3763251E-04 -1.5702772E-04 7.5513861E-05 2.9996958E-05 -8.1179557E-06 6 1.9047286E-03 -7.0515225E-04 -3.2827932E-04 1.5788200E-04 6.2770789E-05 -1.6983649E-05 7 3.7768223E-03 -1.4098893E-03 -6.5717984E-04 3.1621649E-04 1.2557621E-04 -3.3988629E-05 8 7.4978460E-03 -2.8248315E-03 -1.3185835E-03 6.3447353E-04 2.5244782E-04 -6.8293001E-05 9 1.4477035E-02 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2.3533687E-02 7 -3.5475882E-01 1.7250045E-01 3.7817185E-02 8 -3.4892191E-01 1.2841276E-01 2.6269742E-02 9 -1.5743600E-01 -1.4847434E-01 -4.2094638E-02 10 -2.4597383E-02 -4.4531600E-01 -1.1541935E-01 11 -9.5293106E-04 -4.2135604E-01 -1.0147217E-01 12 -1.7610385E-04 -1.4076972E-01 7.9361052E-02 13 8.9002560E-06 -9.8263866E-03 3.4327690E-01 14 -8.9663398E-06 -7.1147728E-04 4.9485679E-01 15 2.8280825E-06 1.0933489E-04 3.2692882E-01 16 -4.6714261E-05 2.2285741E-05 4.8724727E-06 17 -2.6838506E-04 1.2684586E-04 2.7633074E-05 18 -1.2662396E-03 6.0516301E-04 1.3223006E-04 19 -4.3250409E-03 2.0738775E-03 4.5292193E-04 20 -1.0711674E-02 5.2375356E-03 1.1480172E-03 21 -1.8563197E-02 9.1824243E-03 2.0138352E-03 22 -2.1623053E-02 1.0507820E-02 2.3034581E-03 23 -1.5329433E-02 5.6421915E-03 1.1544422E-03 24 -4.9971317E-03 -4.7024118E-03 -1.3331882E-03 25 -5.5935436E-04 -1.0115271E-02 -2.6214742E-03 26 -1.5243904E-05 -6.7307070E-03 -1.6207969E-03 27 -1.9152474E-06 -1.5346985E-03 8.6495983E-04 28 6.1671200E-08 -7.0182511E-05 2.4516021E-03 29 -3.9132488E-08 -3.1631871E-06 2.1986859E-03 30 7.1301470E-09 2.8436607E-07 8.4866789E-04 4F- -7.3852235E-01 ------------ 1 3.9640124E-04 2 2.1764142E-03 3 1.2434818E-02 4 4.5697962E-02 5 1.2712501E-01 6 2.4443911E-01 7 3.1767420E-01 8 3.0498052E-01 9 2.1846374E-01 10 1.1015515E-01 11 3.5125886E-02 12 8.0817066E-05 13 3.1145804E-04 14 1.2143524E-03 15 3.0855803E-03 16 5.9803347E-03 17 8.0705252E-03 18 7.3811871E-03 19 4.9770423E-03 20 2.4860111E-03 21 8.6329652E-04 22 1.8619477E-04 4F+ -7.1055244E-01 ------------ 1 3.3884619E-04 2 2.0239391E-03 3 1.1838677E-02 4 4.4405935E-02 5 1.2464258E-01 6 2.4099922E-01 7 3.1619573E-01 8 3.0610391E-01 9 2.2166744E-01 10 1.1397007E-01 11 3.8115684E-02 12 7.4370611E-05 13 2.9577506E-04 14 1.1689377E-03 15 3.0106747E-03 16 5.8759215E-03 17 7.9653591E-03 18 7.3509252E-03 19 4.9970588E-03 20 2.5230662E-03 21 8.9335632E-04 22 2.0211035E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -1.8574432E+03 -3.1105289E+02 -7.0848188E+01 -1.5155087E+01 -2.2517570E+00 -1.9950406E-01 ------------ ------------ ------------ ------------ ------------ ------------ 1 1.2257491E-05 4.4492765E-06 -2.0651064E-06 -9.9262284E-07 3.9430983E-07 1.0670566E-07 2 8.1227295E-05 2.9529625E-05 -1.3709312E-05 -6.5895483E-06 2.6186052E-06 7.0856066E-07 3 1.9469531E-04 7.0971375E-05 -3.2962379E-05 -1.5846074E-05 6.2951868E-06 1.7035512E-06 4 4.4521083E-04 1.6287555E-04 -7.5688894E-05 -3.6388241E-05 1.4462250E-05 3.9132258E-06 5 9.2347477E-04 3.3965968E-04 -1.5796880E-04 -7.5966208E-05 3.0176693E-05 8.1665961E-06 6 1.8983080E-03 7.0281924E-04 -3.2719625E-04 -1.5736139E-04 6.2563956E-05 1.6927689E-05 7 3.7848741E-03 1.4128199E-03 -6.5854062E-04 -3.1687061E-04 1.2583614E-04 3.4058985E-05 8 7.4878954E-03 2.8212073E-03 -1.3169002E-03 -6.3366432E-04 2.5212635E-04 6.8206047E-05 9 1.4490083E-02 5.5222734E-03 -2.5821588E-03 -1.2435513E-03 4.9345207E-04 1.3359719E-04 10 2.7452658E-02 1.0618297E-02 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------------ 1 3.9640115E-04 2 2.1764136E-03 3 1.2434815E-02 4 4.5697952E-02 5 1.2712498E-01 6 2.4443908E-01 7 3.1767418E-01 8 3.0498052E-01 9 2.1846377E-01 10 1.1015520E-01 11 3.5125931E-02 12 8.0817047E-05 13 3.1145797E-04 14 1.2143522E-03 15 3.0855797E-03 16 5.9803337E-03 17 8.0705243E-03 18 7.3811866E-03 19 4.9770423E-03 20 2.4860115E-03 21 8.6329685E-04 22 1.8619501E-04 4F+ -7.1055177E-01 ------------ 1 3.3884611E-04 2 2.0239386E-03 3 1.1838675E-02 4 4.4405926E-02 5 1.2464256E-01 6 2.4099919E-01 7 3.1619571E-01 8 3.0610391E-01 9 2.2166748E-01 10 1.1397012E-01 11 3.8115733E-02 12 7.4370594E-05 13 2.9577498E-04 14 1.1689375E-03 15 3.0106741E-03 16 5.8759205E-03 17 7.9653581E-03 18 7.3509247E-03 19 4.9970588E-03 20 2.5230666E-03 21 8.9335666E-04 22 2.0211061E-04 ******************** TERBIUM SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1690551753E+09 0.1000000000E+01 0.1000000000E+01 2 0.4398733482E+08 0.1000000000E+01 0.1000000000E+01 3 0.1263577992E+08 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-1.5579604E-01 8 3.6189441E-01 -1.5679254E-01 9 2.1356297E-01 4.7336181E-02 10 5.0325872E-02 3.5505591E-01 11 3.8539661E-03 4.5789356E-01 12 2.2417297E-04 2.4382760E-01 13 9.1825898E-05 4.5596437E-02 14 5.5204356E-05 -2.6168563E-05 15 2.6406369E-04 -1.2593716E-04 16 1.1286522E-03 -5.3853362E-04 17 3.7472213E-03 -1.8046611E-03 18 9.3452379E-03 -4.5499276E-03 19 1.7119603E-02 -8.5042051E-03 20 2.1705505E-02 -1.0620199E-02 21 1.7921380E-02 -7.7724922E-03 22 7.7093896E-03 1.7096951E-03 23 1.3116895E-03 9.3448883E-03 24 6.4304818E-05 8.6512642E-03 25 4.9409682E-07 3.2319099E-03 26 -1.4224757E-06 4.0952758E-04 3D+ 4D+ -4.6767551E+01 -6.1271170E+00 ------------ ------------ 1 4.8232616E-05 2.2782349E-05 2 4.2981384E-04 2.0464421E-04 3 3.1485098E-03 1.4980354E-03 4 1.6835602E-02 8.0893788E-03 5 6.4216617E-02 3.1175561E-02 6 1.7267169E-01 8.5626120E-02 7 3.1316813E-01 1.5332448E-01 8 3.6597301E-01 1.6134125E-01 9 2.2314118E-01 -3.3282452E-02 10 5.4845251E-02 -3.4222856E-01 11 4.3359326E-03 -4.6224142E-01 12 2.6161429E-04 -2.5706258E-01 13 1.0054154E-04 -5.0985838E-02 14 3.6457412E-05 1.7183485E-05 15 2.0662886E-04 9.8273607E-05 16 9.6553423E-04 4.5873571E-04 17 3.3984318E-03 1.6310089E-03 18 8.8029892E-03 4.2689359E-03 19 1.6550569E-02 8.1997909E-03 20 2.1456591E-02 1.0497426E-02 21 1.8190053E-02 8.0168395E-03 22 8.0934784E-03 -1.1993156E-03 23 1.4459572E-03 -9.0111925E-03 24 8.2129514E-05 -8.7366166E-03 25 3.4280147E-06 -3.4087264E-03 26 9.1745667E-07 -4.5910536E-04 4F- -4.8217122E-01 ------------ 1 -3.0359443E-04 2 -2.0249132E-03 3 -1.2186711E-02 4 -4.5871598E-02 5 -1.2638177E-01 6 -2.3980216E-01 7 -3.1060923E-01 8 -3.0413919E-01 9 -2.3005172E-01 10 -1.3012527E-01 11 -4.7888897E-02 12 -6.6322349E-05 13 -3.0267630E-04 14 -1.2243949E-03 15 -3.1579758E-03 16 -6.0466025E-03 17 -8.0518644E-03 18 -7.3315581E-03 19 -5.0117586E-03 20 -2.6048273E-03 21 -9.8741204E-04 22 -2.3532174E-04 4F+ -4.5088727E-01 ------------ 1 2.5430909E-04 2 1.8635791E-03 3 1.1547337E-02 4 4.4395084E-02 5 1.2349575E-01 6 2.3569677E-01 7 3.0840857E-01 8 3.0480352E-01 9 2.3365724E-01 10 1.3557519E-01 11 5.3398447E-02 12 6.0400671E-05 13 2.8548711E-04 14 1.1734432E-03 15 3.0696137E-03 16 5.9212829E-03 17 7.9227932E-03 18 7.2837905E-03 19 5.0244679E-03 20 2.6462401E-03 21 1.0289339E-03 22 2.6244817E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -1.9221618E+03 -3.2303309E+02 -7.3543901E+01 -1.5456328E+01 -2.1442552E+00 -1.8531077E-01 ------------ ------------ ------------ ------------ ------------ ------------ 1 1.4023857E-05 5.1121676E-06 2.3792579E-06 -1.1439638E-06 4.4288915E-07 1.1108086E-07 2 9.3621602E-05 3.4183837E-05 1.5911705E-05 -7.6501860E-06 2.9618349E-06 7.4278174E-07 3 2.2886131E-04 8.3805868E-05 3.9030792E-05 -1.8769065E-05 7.2667598E-06 1.8225593E-06 4 5.3106728E-04 1.9523721E-04 9.0970684E-05 -4.3747239E-05 1.6938023E-05 4.2477072E-06 5 1.1215822E-03 4.1474656E-04 1.9345837E-04 -9.3065677E-05 3.6034662E-05 9.0382699E-06 6 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-2.2485431E-02 1.1043646E-02 -3.9151793E-03 33 -3.0058392E-02 -1.6344987E-02 7.8252457E-03 -2.7384236E-03 34 -1.0813963E-02 3.6030765E-03 -3.4087149E-03 1.3075400E-03 35 -1.0686120E-03 2.1375258E-02 -1.5734460E-02 6.0895652E-03 36 1.4513534E-04 1.6086550E-02 -1.2182812E-02 4.5947042E-03 37 1.1128983E-04 3.0562457E-03 6.3873356E-03 -3.4705489E-03 38 7.3843033E-05 1.4421653E-04 1.1465814E-02 -6.3416138E-03 39 3.9409675E-05 1.6408843E-06 3.5872580E-03 -1.5104753E-03 40 3.0973982E-05 3.4672743E-06 1.4212032E-04 3.8033465E-03 41 9.3467088E-06 -2.9341766E-07 1.3646674E-05 3.2087988E-03 42 1.4890470E-05 6.9271008E-07 -4.4406583E-06 5.3905757E-04 2P+ 3P+ 4P+ 5P+ -2.7870431E+02 -6.0439746E+01 -1.1227746E+01 -1.0908508E+00 ------------ ------------ ------------ ------------ 1 -1.7282327E-07 -8.6701994E-08 -4.1210117E-08 1.4119905E-08 2 -1.1665090E-06 -5.8148614E-07 -2.7451204E-07 9.3579621E-08 3 -7.5887328E-06 -3.8103394E-06 -1.8096195E-06 6.1950593E-07 4 -4.4535351E-05 -2.2291347E-05 -1.0541030E-05 3.5964800E-06 5 -2.4140315E-04 -1.2160088E-04 -5.7763474E-05 1.9768773E-05 6 -1.1856060E-03 -5.9677928E-04 -2.8266368E-04 9.6498820E-05 7 -5.1942396E-03 -2.6371129E-03 -1.2545496E-03 4.2939690E-04 8 -1.9689080E-02 -1.0072706E-02 -4.7889378E-03 1.6362802E-03 9 -6.3031896E-02 -3.3079800E-02 -1.5855512E-02 5.4350172E-03 10 -1.6117302E-01 -8.7642223E-02 -4.2236823E-02 1.4467338E-02 11 -3.0384428E-01 -1.7564962E-01 -8.6253851E-02 2.9727521E-02 12 -3.6264673E-01 -2.1102411E-01 -1.0287504E-01 3.5230228E-02 13 -2.1377545E-01 -1.2602885E-02 1.1726731E-02 -5.0522583E-03 14 -4.4013377E-02 4.1181449E-01 3.0149489E-01 -1.1289238E-01 15 -1.7058734E-03 5.1972081E-01 4.0923148E-01 -1.5227983E-01 16 1.9975133E-05 1.6846840E-01 -1.6089368E-01 9.0287515E-02 17 1.0114384E-04 1.2607815E-02 -6.6486359E-01 3.4933328E-01 18 1.6736707E-05 5.1739668E-04 -3.6406378E-01 1.9214248E-01 19 -1.3455956E-06 1.1141390E-04 -3.2090446E-02 -3.8089021E-01 20 4.3849443E-07 -5.1776380E-05 -2.9748649E-03 -6.1782381E-01 21 -1.4405685E-07 1.6535554E-05 6.2002165E-04 -2.2241160E-01 22 -4.2499537E-07 -2.1541926E-07 -1.0344538E-07 3.5710255E-08 23 -2.7320654E-06 -1.3509121E-06 -6.3349008E-07 2.1492269E-07 24 -1.5155918E-05 -7.6144158E-06 -3.6256574E-06 1.2439665E-06 25 -7.0159606E-05 -3.4909059E-05 -1.6464708E-05 5.6095934E-06 26 -2.7976470E-04 -1.4026616E-04 -6.6602911E-05 2.2802148E-05 27 -9.6045404E-04 -4.8012584E-04 -2.2699356E-04 7.7448071E-05 28 -2.8739737E-03 -1.4494109E-03 -6.8862513E-04 2.3566297E-04 29 -7.4069738E-03 -3.7629171E-03 -1.7861511E-03 6.1006069E-04 30 -1.6254843E-02 -8.4755253E-03 -4.0568915E-03 1.3903126E-03 31 -2.8865670E-02 -1.5603825E-02 -7.5102897E-03 2.5718084E-03 32 -3.8341074E-02 -2.2054479E-02 -1.0819227E-02 3.7281843E-03 33 -3.2670540E-02 -1.8943756E-02 -9.2315441E-03 3.1612293E-03 34 -1.3874744E-02 -8.6987829E-04 7.1710857E-04 -3.1144379E-04 35 -2.0674939E-03 1.9197365E-02 1.4039706E-02 -5.2560724E-03 36 -5.8028860E-05 1.7564527E-02 1.3819958E-02 -5.1423461E-03 37 5.4783827E-07 4.0984177E-03 -3.9019573E-03 2.1896751E-03 38 1.7167654E-06 2.1806871E-04 -1.1486417E-02 6.0340095E-03 39 2.1971007E-07 6.2462740E-06 -4.3945715E-03 2.3190705E-03 40 -1.9236622E-08 9.1924263E-07 -2.6421459E-04 -3.1349805E-03 41 5.6598964E-09 -2.8312095E-07 -1.6205690E-05 -3.3657524E-03 42 -1.4461219E-09 5.7793516E-08 2.1553992E-06 -7.7339221E-04 3D- 4D- -4.8015881E+01 -6.3665425E+00 ------------ ------------ 1 1.5122010E-04 -7.1727851E-05 2 7.2540358E-04 -3.4561613E-04 3 4.1757241E-03 -1.9924791E-03 4 1.9488251E-02 -9.3841620E-03 5 6.9626123E-02 -3.3898356E-02 6 1.8039072E-01 -8.9588606E-02 7 3.1858156E-01 -1.5579603E-01 8 3.6189442E-01 -1.5679255E-01 9 2.1356299E-01 4.7336148E-02 10 5.0325885E-02 3.5505588E-01 11 3.8539668E-03 4.5789357E-01 12 2.2417320E-04 2.4382763E-01 13 9.1825874E-05 4.5596456E-02 14 5.5204349E-05 -2.6168559E-05 15 2.6406365E-04 -1.2593713E-04 16 1.1286521E-03 -5.3853356E-04 17 3.7472208E-03 -1.8046609E-03 18 9.3452369E-03 -4.5499271E-03 19 1.7119602E-02 -8.5042043E-03 20 2.1705505E-02 -1.0620199E-02 21 1.7921381E-02 -7.7724926E-03 22 7.7093904E-03 1.7096939E-03 23 1.3116898E-03 9.3448876E-03 24 6.4304831E-05 8.6512642E-03 25 4.9409978E-07 3.2319104E-03 26 -1.4224759E-06 4.0952774E-04 3D+ 4D+ -4.6767547E+01 -6.1271159E+00 ------------ ------------ 1 4.8232610E-05 2.2782347E-05 2 4.2981378E-04 2.0464418E-04 3 3.1485095E-03 1.4980352E-03 4 1.6835600E-02 8.0893778E-03 5 6.4216610E-02 3.1175558E-02 6 1.7267168E-01 8.5626112E-02 7 3.1316812E-01 1.5332447E-01 8 3.6597301E-01 1.6134126E-01 9 2.2314120E-01 -3.3282420E-02 10 5.4845264E-02 -3.4222853E-01 11 4.3359334E-03 -4.6224142E-01 12 2.6161445E-04 -2.5706262E-01 13 1.0054155E-04 -5.0985857E-02 14 3.6457407E-05 1.7183483E-05 15 2.0662883E-04 9.8273591E-05 16 9.6553411E-04 4.5873565E-04 17 3.3984315E-03 1.6310087E-03 18 8.8029882E-03 4.2689354E-03 19 1.6550568E-02 8.1997901E-03 20 2.1456590E-02 1.0497426E-02 21 1.8190053E-02 8.0168399E-03 22 8.0934791E-03 -1.1993145E-03 23 1.4459575E-03 -9.0111918E-03 24 8.2129530E-05 -8.7366166E-03 25 3.4280169E-06 -3.4087269E-03 26 9.1745675E-07 -4.5910553E-04 4F- -4.8217051E-01 ------------ 1 -3.0359436E-04 2 -2.0249126E-03 3 -1.2186708E-02 4 -4.5871588E-02 5 -1.2638175E-01 6 -2.3980212E-01 7 -3.1060921E-01 8 -3.0413919E-01 9 -2.3005175E-01 10 -1.3012532E-01 11 -4.7888971E-02 12 -6.6322332E-05 13 -3.0267621E-04 14 -1.2243946E-03 15 -3.1579751E-03 16 -6.0466014E-03 17 -8.0518633E-03 18 -7.3315575E-03 19 -5.0117586E-03 20 -2.6048277E-03 21 -9.8741243E-04 22 -2.3532210E-04 4F+ -4.5088656E-01 ------------ 1 2.5430903E-04 2 1.8635786E-03 3 1.1547335E-02 4 4.4395074E-02 5 1.2349573E-01 6 2.3569673E-01 7 3.0840854E-01 8 3.0480352E-01 9 2.3365727E-01 10 1.3557524E-01 11 5.3398530E-02 12 6.0400656E-05 13 2.8548703E-04 14 1.1734429E-03 15 3.0696131E-03 16 5.9212818E-03 17 7.9227921E-03 18 7.2837899E-03 19 5.0244678E-03 20 2.6462405E-03 21 1.0289343E-03 22 2.6244858E-04 ******************* DYSPROSIUM SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1701857069E+09 0.1000000000E+01 0.1000000000E+01 2 0.4416412348E+08 0.1000000000E+01 0.1000000000E+01 3 0.1265715733E+08 0.1000000000E+01 0.1000000000E+01 4 0.3980159922E+07 0.1000000000E+01 0.1000000000E+01 5 0.1364395872E+07 0.1000000000E+01 0.1000000000E+01 6 0.5065631013E+06 0.1000000000E+01 0.1000000000E+01 7 0.2023754084E+06 0.1000000000E+01 0.1000000000E+01 8 0.8643521272E+05 0.1000000000E+01 0.1000000000E+01 9 0.3921120629E+05 0.1000000000E+01 0.1000000000E+01 10 0.1877128407E+05 0.1000000000E+01 0.1000000000E+01 11 0.9421494349E+04 0.1000000000E+01 0.1000000000E+01 12 0.4925670800E+04 0.1000000000E+01 0.1000000000E+01 13 0.2665069292E+04 0.1000000000E+01 0.1000000000E+01 14 0.1482609944E+04 0.1000000000E+01 0.1000000000E+01 15 0.8425551609E+03 0.1000000000E+01 0.1000000000E+01 16 0.4859600399E+03 0.1000000000E+01 0.1000000000E+01 17 0.2826254756E+03 0.1000000000E+01 0.1000000000E+01 18 0.1646676679E+03 0.1000000000E+01 0.1000000000E+01 19 0.9549252891E+02 0.1000000000E+01 0.1000000000E+01 20 0.5476110921E+02 0.1000000000E+01 0.1000000000E+01 21 0.3085280181E+02 0.1000000000E+01 0.1000000000E+01 22 0.1696735959E+02 0.1000000000E+01 0.1000000000E+01 23 0.9049174234E+01 0.1000000000E+01 0.1000000000E+01 24 0.4650037103E+01 0.1000000000E+01 0.1000000000E+01 25 0.2287359451E+01 0.1000000000E+01 0.1000000000E+01 26 0.1070090970E+01 0.1000000000E+01 0.1000000000E+01 27 0.4730347137E+00 0.1000000000E+01 0.1000000000E+01 28 0.1963039813E+00 0.1000000000E+01 0.1000000000E+01 29 0.7598130263E-01 0.1000000000E+01 0.1000000000E+01 30 0.2725233030E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.1436689710E+08 0.1000000000E+01 0.1000000000E+01 2 0.2818594371E+07 0.1000000000E+01 0.1000000000E+01 3 0.6420070030E+06 0.1000000000E+01 0.1000000000E+01 4 0.1677015844E+06 0.1000000000E+01 0.1000000000E+01 5 0.4962235945E+05 0.1000000000E+01 0.1000000000E+01 6 0.1642907562E+05 0.1000000000E+01 0.1000000000E+01 7 0.6011695151E+04 0.1000000000E+01 0.1000000000E+01 8 0.2401493982E+04 0.1000000000E+01 0.1000000000E+01 9 0.1034473612E+04 0.1000000000E+01 0.1000000000E+01 10 0.4746388918E+03 0.1000000000E+01 0.1000000000E+01 11 0.2291215008E+03 0.1000000000E+01 0.1000000000E+01 12 0.1149422298E+03 0.1000000000E+01 0.1000000000E+01 13 0.5919121688E+02 0.1000000000E+01 0.1000000000E+01 14 0.3090661385E+02 0.1000000000E+01 0.1000000000E+01 15 0.1616273006E+02 0.1000000000E+01 0.1000000000E+01 16 0.8361800061E+01 0.1000000000E+01 0.1000000000E+01 17 0.4227262652E+01 0.1000000000E+01 0.1000000000E+01 18 0.2062745793E+01 0.1000000000E+01 0.1000000000E+01 19 0.9596477302E+00 0.1000000000E+01 0.1000000000E+01 20 0.4204460269E+00 0.1000000000E+01 0.1000000000E+01 21 0.1713537356E+00 0.1000000000E+01 0.1000000000E+01 P+ 1 0.1436689710E+08 0.1000000000E+01 0.1000000000E+01 2 0.2818594371E+07 0.1000000000E+01 0.1000000000E+01 3 0.6420070030E+06 0.1000000000E+01 0.1000000000E+01 4 0.1677015844E+06 0.1000000000E+01 0.1000000000E+01 5 0.4962235945E+05 0.1000000000E+01 0.1000000000E+01 6 0.1642907562E+05 0.1000000000E+01 0.1000000000E+01 7 0.6011695151E+04 0.1000000000E+01 0.1000000000E+01 8 0.2401493982E+04 0.1000000000E+01 0.1000000000E+01 9 0.1034473612E+04 0.1000000000E+01 0.1000000000E+01 10 0.4746388918E+03 0.1000000000E+01 0.1000000000E+01 11 0.2291215008E+03 0.1000000000E+01 0.1000000000E+01 12 0.1149422298E+03 0.1000000000E+01 0.1000000000E+01 13 0.5919121688E+02 0.1000000000E+01 0.1000000000E+01 14 0.3090661385E+02 0.1000000000E+01 0.1000000000E+01 15 0.1616273006E+02 0.1000000000E+01 0.1000000000E+01 16 0.8361800061E+01 0.1000000000E+01 0.1000000000E+01 17 0.4227262652E+01 0.1000000000E+01 0.1000000000E+01 18 0.2062745793E+01 0.1000000000E+01 0.1000000000E+01 19 0.9596477302E+00 0.1000000000E+01 0.1000000000E+01 20 0.4204460269E+00 0.1000000000E+01 0.1000000000E+01 21 0.1713537356E+00 0.1000000000E+01 0.1000000000E+01 D- 1 0.1065705362E+05 0.1000000000E+01 0.1000000000E+01 2 0.3336605330E+04 0.1000000000E+01 0.1000000000E+01 3 0.1195738603E+04 0.1000000000E+01 0.1000000000E+01 4 0.4808082674E+03 0.1000000000E+01 0.1000000000E+01 5 0.2126436462E+03 0.1000000000E+01 0.1000000000E+01 6 0.1013953980E+03 0.1000000000E+01 0.1000000000E+01 7 0.5109871400E+02 0.1000000000E+01 0.1000000000E+01 8 0.2667891300E+02 0.1000000000E+01 0.1000000000E+01 9 0.1414598744E+02 0.1000000000E+01 0.1000000000E+01 10 0.7466996098E+01 0.1000000000E+01 0.1000000000E+01 11 0.3846330884E+01 0.1000000000E+01 0.1000000000E+01 12 0.1895291276E+01 0.1000000000E+01 0.1000000000E+01 13 0.8757384756E+00 0.1000000000E+01 0.1000000000E+01 D+ 1 0.1065705362E+05 0.1000000000E+01 0.1000000000E+01 2 0.3336605330E+04 0.1000000000E+01 0.1000000000E+01 3 0.1195738603E+04 0.1000000000E+01 0.1000000000E+01 4 0.4808082674E+03 0.1000000000E+01 0.1000000000E+01 5 0.2126436462E+03 0.1000000000E+01 0.1000000000E+01 6 0.1013953980E+03 0.1000000000E+01 0.1000000000E+01 7 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0.1000000000E+01 2 0.1706711037E+03 0.1000000000E+01 0.1000000000E+01 3 0.7476953295E+02 0.1000000000E+01 0.1000000000E+01 4 0.3471998835E+02 0.1000000000E+01 0.1000000000E+01 5 0.1678192126E+02 0.1000000000E+01 0.1000000000E+01 6 0.8291401888E+01 0.1000000000E+01 0.1000000000E+01 7 0.4112021771E+01 0.1000000000E+01 0.1000000000E+01 8 0.2010207876E+01 0.1000000000E+01 0.1000000000E+01 9 0.9512652543E+00 0.1000000000E+01 0.1000000000E+01 10 0.4279119062E+00 0.1000000000E+01 0.1000000000E+01 11 0.1796867910E+00 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ F- F+ NUMBER OF CLOSED SHELLS 6 4 4 2 2 0 0 OPEN SHELLS 0 0 0 0 0 1 1 NUMBER OF OPEN SHELL CONFG 5 CONF OPEN SHELL OCCUPATION NUMBERS 1 0.0 0.0 0.0 0.0 0.0 6.0 4.0 2 0.0 0.0 0.0 0.0 0.0 5.0 5.0 3 0.0 0.0 0.0 0.0 0.0 4.0 6.0 4 0.0 0.0 0.0 0.0 0.0 3.0 7.0 5 0.0 0.0 0.0 0.0 0.0 2.0 8.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -1.9884829E+03 -3.3559029E+02 -7.6627260E+01 -1.6073049E+01 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3.2468372E-02 6 1.7942630E-01 8.9371671E-02 7 3.2233541E-01 1.5849711E-01 8 3.6575794E-01 1.5844754E-01 9 2.1129438E-01 -5.2745518E-02 10 4.8535140E-02 -3.5841036E-01 11 3.6421881E-03 -4.5503451E-01 12 2.7708431E-04 -2.4056441E-01 13 9.9871838E-05 -4.5562022E-02 14 3.4585267E-05 1.6403838E-05 15 2.0374483E-04 9.7210940E-05 16 9.7942809E-04 4.6775192E-04 17 3.5172059E-03 1.6947150E-03 18 9.2240981E-03 4.4977776E-03 19 1.7331677E-02 8.6246761E-03 20 2.2192091E-02 1.0904162E-02 21 1.8232763E-02 7.8965105E-03 22 7.6779259E-03 -1.9075223E-03 23 1.2814474E-03 -9.4509535E-03 24 6.9123961E-05 -8.6147952E-03 25 3.6401735E-06 -3.1974836E-03 26 9.1494338E-07 -4.1163878E-04 4F- -4.9717688E-01 ------------ 1 -5.2310548E-04 2 -3.3197971E-03 3 -1.8057640E-02 4 -6.2052349E-02 5 -1.5660337E-01 6 -2.6421622E-01 7 -3.1333478E-01 8 -2.8582118E-01 9 -2.0355000E-01 10 -1.0829667E-01 11 -3.4697524E-02 12 -1.0570673E-04 13 -4.5849041E-04 14 -1.6808445E-03 15 -3.9753604E-03 16 -6.9994519E-03 17 -8.3158844E-03 18 -6.9497831E-03 19 -4.4341529E-03 20 -2.1725356E-03 21 -7.7533055E-04 22 -1.6095186E-04 4F+ -4.6132146E-01 ------------ 1 -4.4687906E-04 2 -3.0781091E-03 3 -1.7170479E-02 4 -6.0180882E-02 5 -1.5304093E-01 6 -2.6006072E-01 7 -3.1178506E-01 8 -2.8721173E-01 9 -2.0794201E-01 10 -1.1427415E-01 11 -3.9725338E-02 12 -9.6838858E-05 13 -4.3358890E-04 14 -1.6137346E-03 15 -3.8693032E-03 16 -6.8536442E-03 17 -8.1929031E-03 18 -6.9191855E-03 19 -4.4571492E-03 20 -2.2199231E-03 21 -8.1824936E-04 22 -1.8432290E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -1.9884861E+03 -3.3559072E+02 -7.6627353E+01 -1.6073070E+01 -2.2018954E+00 -1.8760908E-01 ------------ ------------ ------------ ------------ ------------ ------------ 1 -1.4619837E-05 -5.3519723E-06 -2.4971535E-06 1.2032054E-06 -4.6445391E-07 1.1547758E-07 2 -1.0002199E-04 -3.6676406E-05 -1.7114970E-05 8.2462440E-06 -3.1830630E-06 7.9132131E-07 3 -2.4487350E-04 -9.0056914E-05 -4.2048568E-05 2.0263376E-05 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3.9006315E-03 33 -3.1227735E-02 -1.7756465E-02 -8.5845279E-03 2.9118685E-03 34 -1.1679500E-02 2.5008566E-03 2.7371184E-03 -1.0235556E-03 35 -1.4195789E-03 2.1159803E-02 1.5819335E-02 -5.9172338E-03 36 -3.1385089E-05 1.5769630E-02 1.1992995E-02 -4.3540234E-03 37 2.3737094E-06 2.9432008E-03 -6.4095408E-03 3.2633844E-03 38 1.0258799E-06 1.4790971E-04 -1.1090370E-02 5.9469230E-03 39 2.5355882E-07 -2.2464598E-06 -3.4687223E-03 1.4870376E-03 40 -4.3253073E-08 2.9335899E-06 -1.5555645E-04 -3.4803505E-03 41 8.5029729E-09 -8.4050841E-07 -1.4425447E-05 -3.1178301E-03 42 -9.4687803E-10 1.5746731E-07 2.1012385E-06 -6.1199208E-04 3D- 4D- -5.0167776E+01 -6.6418177E+00 ------------ ------------ 1 1.4556852E-04 -6.9403583E-05 2 7.1540178E-04 -3.4217276E-04 3 4.1880654E-03 -2.0088223E-03 4 1.9938037E-02 -9.6418012E-03 5 7.2243672E-02 -3.5373500E-02 6 1.8754846E-01 -9.3566862E-02 7 3.2765779E-01 -1.6089973E-01 8 3.6091421E-01 -1.5309652E-01 9 2.0145820E-01 6.7782574E-02 10 4.4290107E-02 3.7087865E-01 11 3.2271182E-03 4.4946090E-01 12 2.4042121E-04 2.2709442E-01 13 9.0516598E-05 4.0462160E-02 14 5.3416763E-05 -2.5472418E-05 15 2.6339688E-04 -1.2607627E-04 16 1.1516690E-03 -5.5245358E-04 17 3.8905607E-03 -1.8816615E-03 18 9.8062423E-03 -4.8017064E-03 19 1.7934179E-02 -8.9494931E-03 20 2.2431240E-02 -1.1021263E-02 21 1.7922884E-02 -7.6114808E-03 22 7.2832283E-03 2.4536771E-03 23 1.1539563E-03 9.7754245E-03 24 5.2457956E-05 8.5059492E-03 25 6.7527556E-07 3.0171196E-03 26 -1.4719879E-06 3.6448373E-04 3D+ 4D+ -4.8820858E+01 -6.3817377E+00 ------------ ------------ 1 4.4370225E-05 2.1084785E-05 2 4.1266065E-04 1.9713363E-04 3 3.1249555E-03 1.4945805E-03 4 1.7141217E-02 8.2694694E-03 5 6.6510757E-02 3.2468368E-02 6 1.7942628E-01 8.9371662E-02 7 3.2233540E-01 1.5849710E-01 8 3.6575794E-01 1.5844755E-01 9 2.1129441E-01 -5.2745483E-02 10 4.8535153E-02 -3.5841033E-01 11 3.6421888E-03 -4.5503451E-01 12 2.7708445E-04 -2.4056445E-01 13 9.9871874E-05 -4.5562041E-02 14 3.4585263E-05 1.6403836E-05 15 2.0374480E-04 9.7210922E-05 16 9.7942797E-04 4.6775185E-04 17 3.5172055E-03 1.6947147E-03 18 9.2240970E-03 4.4977770E-03 19 1.7331675E-02 8.6246752E-03 20 2.2192090E-02 1.0904162E-02 21 1.8232763E-02 7.8965110E-03 22 7.6779267E-03 -1.9075211E-03 23 1.2814478E-03 -9.4509527E-03 24 6.9123974E-05 -8.6147953E-03 25 3.6401754E-06 -3.1974841E-03 26 9.1494368E-07 -4.1163895E-04 4F- -4.9717606E-01 ------------ 1 -5.2310533E-04 2 -3.3197962E-03 3 -1.8057636E-02 4 -6.2052335E-02 5 -1.5660334E-01 6 -2.6421619E-01 7 -3.1333476E-01 8 -2.8582118E-01 9 -2.0355004E-01 10 -1.0829673E-01 11 -3.4697592E-02 12 -1.0570670E-04 13 -4.5849029E-04 14 -1.6808441E-03 15 -3.9753595E-03 16 -6.9994506E-03 17 -8.3158834E-03 18 -6.9497827E-03 19 -4.4341529E-03 20 -2.1725360E-03 21 -7.7533097E-04 22 -1.6095218E-04 4F+ -4.6132065E-01 ------------ 1 -4.4687893E-04 2 -3.0781083E-03 3 -1.7170475E-02 4 -6.0180868E-02 5 -1.5304090E-01 6 -2.6006069E-01 7 -3.1178504E-01 8 -2.8721173E-01 9 -2.0794205E-01 10 -1.1427421E-01 11 -3.9725417E-02 12 -9.6838830E-05 13 -4.3358878E-04 14 -1.6137342E-03 15 -3.8693023E-03 16 -6.8536430E-03 17 -8.1929021E-03 18 -6.9191850E-03 19 -4.4571492E-03 20 -2.2199235E-03 21 -8.1824978E-04 22 -1.8432327E-04 ******************** HOLMIUM SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1694621245E+09 0.1000000000E+01 0.1000000000E+01 2 0.4340862049E+08 0.1000000000E+01 0.1000000000E+01 3 0.1230174031E+08 0.1000000000E+01 0.1000000000E+01 4 0.3831645861E+07 0.1000000000E+01 0.1000000000E+01 5 0.1303087002E+07 0.1000000000E+01 0.1000000000E+01 6 0.4806973301E+06 0.1000000000E+01 0.1000000000E+01 7 0.1910826514E+06 0.1000000000E+01 0.1000000000E+01 8 0.8131357664E+05 0.1000000000E+01 0.1000000000E+01 9 0.3679917912E+05 0.1000000000E+01 0.1000000000E+01 10 0.1759492677E+05 0.1000000000E+01 0.1000000000E+01 11 0.8829824411E+04 0.1000000000E+01 0.1000000000E+01 12 0.4620329479E+04 0.1000000000E+01 0.1000000000E+01 13 0.2504327405E+04 0.1000000000E+01 0.1000000000E+01 14 0.1396842855E+04 0.1000000000E+01 0.1000000000E+01 15 0.7964954242E+03 0.1000000000E+01 0.1000000000E+01 16 0.4612531174E+03 0.1000000000E+01 0.1000000000E+01 17 0.2694986804E+03 0.1000000000E+01 0.1000000000E+01 18 0.1578251736E+03 0.1000000000E+01 0.1000000000E+01 19 0.9203207574E+02 0.1000000000E+01 0.1000000000E+01 20 0.5308679088E+02 0.1000000000E+01 0.1000000000E+01 21 0.3009255388E+02 0.1000000000E+01 0.1000000000E+01 22 0.1665320944E+02 0.1000000000E+01 0.1000000000E+01 23 0.8938078592E+01 0.1000000000E+01 0.1000000000E+01 24 0.4622093505E+01 0.1000000000E+01 0.1000000000E+01 25 0.2287824057E+01 0.1000000000E+01 0.1000000000E+01 26 0.1076804496E+01 0.1000000000E+01 0.1000000000E+01 27 0.4787650564E+00 0.1000000000E+01 0.1000000000E+01 28 0.1997654517E+00 0.1000000000E+01 0.1000000000E+01 29 0.7770906347E-01 0.1000000000E+01 0.1000000000E+01 30 0.2799737599E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.1367774085E+08 0.1000000000E+01 0.1000000000E+01 2 0.2718206220E+07 0.1000000000E+01 0.1000000000E+01 3 0.6263434920E+06 0.1000000000E+01 0.1000000000E+01 4 0.1653043868E+06 0.1000000000E+01 0.1000000000E+01 5 0.4936024839E+05 0.1000000000E+01 0.1000000000E+01 6 0.1647293359E+05 0.1000000000E+01 0.1000000000E+01 7 0.6069385437E+04 0.1000000000E+01 0.1000000000E+01 8 0.2438811049E+04 0.1000000000E+01 0.1000000000E+01 9 0.1055724889E+04 0.1000000000E+01 0.1000000000E+01 10 0.4863422990E+03 0.1000000000E+01 0.1000000000E+01 11 0.2355220152E+03 0.1000000000E+01 0.1000000000E+01 12 0.1184400718E+03 0.1000000000E+01 0.1000000000E+01 13 0.6109743931E+02 0.1000000000E+01 0.1000000000E+01 14 0.3193625997E+02 0.1000000000E+01 0.1000000000E+01 15 0.1670941734E+02 0.1000000000E+01 0.1000000000E+01 16 0.8644388328E+01 0.1000000000E+01 0.1000000000E+01 17 0.4367998162E+01 0.1000000000E+01 0.1000000000E+01 18 0.2129537773E+01 0.1000000000E+01 0.1000000000E+01 19 0.9895152154E+00 0.1000000000E+01 0.1000000000E+01 20 0.4328857992E+00 0.1000000000E+01 0.1000000000E+01 21 0.1761235542E+00 0.1000000000E+01 0.1000000000E+01 P+ 1 0.1367774085E+08 0.1000000000E+01 0.1000000000E+01 2 0.2718206220E+07 0.1000000000E+01 0.1000000000E+01 3 0.6263434920E+06 0.1000000000E+01 0.1000000000E+01 4 0.1653043868E+06 0.1000000000E+01 0.1000000000E+01 5 0.4936024839E+05 0.1000000000E+01 0.1000000000E+01 6 0.1647293359E+05 0.1000000000E+01 0.1000000000E+01 7 0.6069385437E+04 0.1000000000E+01 0.1000000000E+01 8 0.2438811049E+04 0.1000000000E+01 0.1000000000E+01 9 0.1055724889E+04 0.1000000000E+01 0.1000000000E+01 10 0.4863422990E+03 0.1000000000E+01 0.1000000000E+01 11 0.2355220152E+03 0.1000000000E+01 0.1000000000E+01 12 0.1184400718E+03 0.1000000000E+01 0.1000000000E+01 13 0.6109743931E+02 0.1000000000E+01 0.1000000000E+01 14 0.3193625997E+02 0.1000000000E+01 0.1000000000E+01 15 0.1670941734E+02 0.1000000000E+01 0.1000000000E+01 16 0.8644388328E+01 0.1000000000E+01 0.1000000000E+01 17 0.4367998162E+01 0.1000000000E+01 0.1000000000E+01 18 0.2129537773E+01 0.1000000000E+01 0.1000000000E+01 19 0.9895152154E+00 0.1000000000E+01 0.1000000000E+01 20 0.4328857992E+00 0.1000000000E+01 0.1000000000E+01 21 0.1761235542E+00 0.1000000000E+01 0.1000000000E+01 D- 1 0.1076046342E+05 0.1000000000E+01 0.1000000000E+01 2 0.3416808552E+04 0.1000000000E+01 0.1000000000E+01 3 0.1236196284E+04 0.1000000000E+01 0.1000000000E+01 4 0.4998072270E+03 0.1000000000E+01 0.1000000000E+01 5 0.2214813339E+03 0.1000000000E+01 0.1000000000E+01 6 0.1055024201E+03 0.1000000000E+01 0.1000000000E+01 7 0.5298459232E+02 0.1000000000E+01 0.1000000000E+01 8 0.2751502095E+02 0.1000000000E+01 0.1000000000E+01 9 0.1449086683E+02 0.1000000000E+01 0.1000000000E+01 10 0.7590918723E+01 0.1000000000E+01 0.1000000000E+01 11 0.3879189247E+01 0.1000000000E+01 0.1000000000E+01 12 0.1896729655E+01 0.1000000000E+01 0.1000000000E+01 13 0.8702798618E+00 0.1000000000E+01 0.1000000000E+01 D+ 1 0.1076046342E+05 0.1000000000E+01 0.1000000000E+01 2 0.3416808552E+04 0.1000000000E+01 0.1000000000E+01 3 0.1236196284E+04 0.1000000000E+01 0.1000000000E+01 4 0.4998072270E+03 0.1000000000E+01 0.1000000000E+01 5 0.2214813339E+03 0.1000000000E+01 0.1000000000E+01 6 0.1055024201E+03 0.1000000000E+01 0.1000000000E+01 7 0.5298459232E+02 0.1000000000E+01 0.1000000000E+01 8 0.2751502095E+02 0.1000000000E+01 0.1000000000E+01 9 0.1449086683E+02 0.1000000000E+01 0.1000000000E+01 10 0.7590918723E+01 0.1000000000E+01 0.1000000000E+01 11 0.3879189247E+01 0.1000000000E+01 0.1000000000E+01 12 0.1896729655E+01 0.1000000000E+01 0.1000000000E+01 13 0.8702798618E+00 0.1000000000E+01 0.1000000000E+01 F- 1 0.4260316537E+03 0.1000000000E+01 0.1000000000E+01 2 0.1746420740E+03 0.1000000000E+01 0.1000000000E+01 3 0.7708270062E+02 0.1000000000E+01 0.1000000000E+01 4 0.3598343492E+02 0.1000000000E+01 0.1000000000E+01 5 0.1745109141E+02 0.1000000000E+01 0.1000000000E+01 6 0.8636812138E+01 0.1000000000E+01 0.1000000000E+01 7 0.4284813092E+01 0.1000000000E+01 0.1000000000E+01 8 0.2093121533E+01 0.1000000000E+01 0.1000000000E+01 9 0.9889578632E+00 0.1000000000E+01 0.1000000000E+01 10 0.4439341292E+00 0.1000000000E+01 0.1000000000E+01 11 0.1859744616E+00 0.1000000000E+01 0.1000000000E+01 F+ 1 0.4260316537E+03 0.1000000000E+01 0.1000000000E+01 2 0.1746420740E+03 0.1000000000E+01 0.1000000000E+01 3 0.7708270062E+02 0.1000000000E+01 0.1000000000E+01 4 0.3598343492E+02 0.1000000000E+01 0.1000000000E+01 5 0.1745109141E+02 0.1000000000E+01 0.1000000000E+01 6 0.8636812138E+01 0.1000000000E+01 0.1000000000E+01 7 0.4284813092E+01 0.1000000000E+01 0.1000000000E+01 8 0.2093121533E+01 0.1000000000E+01 0.1000000000E+01 9 0.9889578632E+00 0.1000000000E+01 0.1000000000E+01 10 0.4439341292E+00 0.1000000000E+01 0.1000000000E+01 11 0.1859744616E+00 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ F- F+ NUMBER OF CLOSED SHELLS 6 4 4 2 2 0 0 OPEN SHELLS 0 0 0 0 0 1 1 NUMBER OF OPEN SHELL CONFG 4 CONF OPEN SHELL OCCUPATION NUMBERS 1 0.0 0.0 0.0 0.0 0.0 6.0 5.0 2 0.0 0.0 0.0 0.0 0.0 5.0 6.0 3 0.0 0.0 0.0 0.0 0.0 4.0 7.0 4 0.0 0.0 0.0 0.0 0.0 3.0 8.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -2.0561782E+03 -3.4844909E+02 -7.9783242E+01 -1.6701942E+01 -2.2598339E+00 -1.8977752E-01 ------------ ------------ ------------ ------------ ------------ ------------ 1 1.0759341E-05 -3.9546339E-06 1.8496181E-06 8.9298402E-07 -3.4371449E-07 8.4725387E-08 2 1.1488169E-04 -4.2304836E-05 1.9789634E-05 9.5538960E-06 -3.6770700E-06 9.0627691E-07 3 2.6491769E-04 -9.7868980E-05 4.5808691E-05 2.2119458E-05 -8.5140155E-06 2.0986262E-06 4 6.3325722E-04 -2.3489805E-04 1.1000293E-04 5.3118936E-05 -2.0444998E-05 5.0389090E-06 5 1.3216358E-03 -4.9338686E-04 2.3131854E-04 1.1174194E-04 -4.3015617E-05 1.0603568E-05 6 2.7783798E-03 -1.0452148E-03 4.9049527E-04 2.3695533E-04 -9.1206876E-05 2.2477463E-05 7 5.5993224E-03 -2.1270742E-03 1.0000461E-03 4.8343932E-04 -1.8614476E-04 4.5892544E-05 8 1.1216270E-02 -4.3086034E-03 2.0280069E-03 9.8026794E-04 -3.7732347E-04 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3.1499964E-03 42 -1.0650544E-09 -1.5933869E-07 -2.0869138E-06 6.2511729E-04 3D- 4D- -5.2360365E+01 -6.9199463E+00 ------------ ------------ 1 -1.5487774E-04 7.4175536E-05 2 -7.3388277E-04 3.5249366E-04 3 -4.2209202E-03 2.0338462E-03 4 -1.9860450E-02 9.6456286E-03 5 -7.1969525E-02 3.5401449E-02 6 -1.8805391E-01 9.4224184E-02 7 -3.3107045E-01 1.6337336E-01 8 -3.6371736E-01 1.5338566E-01 9 -1.9810978E-01 -7.8545075E-02 10 -4.1170266E-02 -3.8551192E-01 11 -2.8668788E-03 -4.4656766E-01 12 -2.3513829E-04 -2.1277638E-01 13 -9.3048666E-05 -3.4736939E-02 14 -5.6782386E-05 2.7207019E-05 15 -2.7205293E-04 1.3076139E-04 16 -1.1734897E-03 5.6552094E-04 17 -3.9399716E-03 1.9137622E-03 18 -9.9551926E-03 4.8971087E-03 19 -1.8331234E-02 9.1872187E-03 20 -2.3072791E-02 1.1392381E-02 21 -1.8340531E-02 7.7441051E-03 22 -7.2471720E-03 -2.8780201E-03 23 -1.0798722E-03 -1.0245027E-02 24 -4.5622782E-05 -8.4871577E-03 25 -5.0846758E-07 -2.8278438E-03 26 1.4546037E-06 -3.1177355E-04 3D+ 4D+ -5.0909094E+01 -6.6379615E+00 ------------ ------------ 1 4.6759210E-05 -2.2323748E-05 2 4.1972117E-04 -2.0129943E-04 3 3.1224167E-03 -1.4999748E-03 4 1.6987451E-02 -8.2289386E-03 5 6.6057150E-02 -3.2389019E-02 6 1.7963210E-01 -8.9845563E-02 7 3.2557174E-01 -1.6087160E-01 8 3.6895202E-01 -1.5918553E-01 9 2.0832482E-01 6.2586073E-02 10 4.5335470E-02 3.7305881E-01 11 3.2363481E-03 4.5329247E-01 12 2.7290874E-04 2.2658602E-01 13 1.0231954E-04 3.9441168E-02 14 3.6464053E-05 -1.7376377E-05 15 2.0910465E-04 -1.0015475E-04 16 9.9300918E-04 -4.7631278E-04 17 3.5496317E-03 -1.7172647E-03 18 9.3437337E-03 -4.5759680E-03 19 1.7694630E-02 -8.8414635E-03 20 2.2822848E-02 -1.1268615E-02 21 1.8678256E-02 -8.0568605E-03 22 7.6621363E-03 2.2917134E-03 23 1.2068991E-03 9.9186361E-03 24 6.1698333E-05 8.6184815E-03 25 3.5843907E-06 3.0128569E-03 26 9.3477398E-07 3.5522573E-04 4F- -5.0985119E-01 ------------ 1 5.6395691E-04 2 3.4720562E-03 3 1.8597424E-02 4 6.3413504E-02 5 1.5910398E-01 6 2.6647147E-01 7 3.1375890E-01 8 2.8403816E-01 9 2.0093766E-01 10 1.0635802E-01 11 3.3973465E-02 12 1.1450814E-04 13 4.8480863E-04 14 1.7566899E-03 15 4.1349012E-03 16 7.2506581E-03 17 8.5593181E-03 18 7.1036502E-03 19 4.4963827E-03 20 2.1866958E-03 21 7.7557185E-04 22 1.6032363E-04 4F+ -4.6900681E-01 ------------ 1 4.8004664E-04 2 3.2120889E-03 3 1.7647721E-02 4 6.1411393E-02 5 1.5530381E-01 6 2.6207938E-01 7 3.1212289E-01 8 2.8557004E-01 9 2.0567550E-01 10 1.1276262E-01 11 3.9394035E-02 12 1.0462499E-04 13 4.5754350E-04 14 1.6836264E-03 15 4.0191562E-03 16 7.0919427E-03 17 8.4265889E-03 18 7.0706710E-03 19 4.5221386E-03 20 2.2388025E-03 21 8.2240399E-04 22 1.8595604E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -2.0561819E+03 -3.4844958E+02 -7.9783349E+01 -1.6701967E+01 -2.2598374E+00 -1.8977768E-01 ------------ ------------ ------------ ------------ ------------ ------------ 1 1.6066752E-05 5.9068260E-06 2.7627089E-06 -1.3338001E-06 5.1337883E-07 1.2654421E-07 2 1.0985609E-04 4.0456937E-05 1.8925372E-05 -9.1366595E-06 3.5164836E-06 8.6669623E-07 3 2.7017144E-04 9.9802126E-05 4.6712917E-05 -2.2555998E-05 8.6820375E-06 2.1400408E-06 4 6.2795295E-04 2.3294737E-04 1.0909056E-04 -5.2678472E-05 2.0275477E-05 4.9971280E-06 5 1.3278485E-03 4.9567454E-04 2.3238871E-04 -1.1225860E-04 4.3214493E-05 1.0652591E-05 6 2.7713138E-03 1.0426141E-03 4.8927865E-04 -2.3636796E-04 9.0980841E-05 2.2421759E-05 7 5.6082752E-03 2.1303776E-03 1.0015919E-03 -4.8418567E-04 1.8643210E-04 4.5963387E-05 8 1.1205209E-02 4.3045194E-03 2.0260951E-03 -9.7934478E-04 3.7696829E-04 9.2884088E-05 9 2.1773851E-02 8.4829012E-03 4.0051555E-03 -1.9384504E-03 7.4670396E-04 1.8415917E-04 10 4.0990252E-02 1.6280073E-02 7.6996611E-03 -3.7247275E-03 1.4336112E-03 3.5307241E-04 11 7.3291082E-02 2.9979634E-02 1.4277322E-02 -6.9272127E-03 2.6708858E-03 6.5925150E-04 12 1.2208356E-01 5.2381077E-02 2.5064236E-02 -1.2149229E-02 4.6754875E-03 1.1502491E-03 13 1.8268701E-01 8.4752805E-02 4.1303301E-02 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2.8557004E-01 9 2.0567554E-01 10 1.1276268E-01 11 3.9394119E-02 12 1.0462496E-04 13 4.5754337E-04 14 1.6836260E-03 15 4.0191552E-03 16 7.0919413E-03 17 8.4265878E-03 18 7.0706705E-03 19 4.5221386E-03 20 2.2388030E-03 21 8.2240443E-04 22 1.8595644E-04 ******************** ERBIUM SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1686601656E+09 0.1000000000E+01 0.1000000000E+01 2 0.4286536604E+08 0.1000000000E+01 0.1000000000E+01 3 0.1206264733E+08 0.1000000000E+01 0.1000000000E+01 4 0.3733842594E+07 0.1000000000E+01 0.1000000000E+01 5 0.1262937511E+07 0.1000000000E+01 0.1000000000E+01 6 0.4637195473E+06 0.1000000000E+01 0.1000000000E+01 7 0.1836165522E+06 0.1000000000E+01 0.1000000000E+01 8 0.7789083140E+05 0.1000000000E+01 0.1000000000E+01 9 0.3516528469E+05 0.1000000000E+01 0.1000000000E+01 10 0.1678535089E+05 0.1000000000E+01 0.1000000000E+01 11 0.8415315457E+04 0.1000000000E+01 0.1000000000E+01 12 0.4402194915E+04 0.1000000000E+01 0.1000000000E+01 13 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0.1000000000E+01 0.1000000000E+01 2 0.2995577566E+07 0.1000000000E+01 0.1000000000E+01 3 0.6852819950E+06 0.1000000000E+01 0.1000000000E+01 4 0.1796420859E+06 0.1000000000E+01 0.1000000000E+01 5 0.5330436955E+05 0.1000000000E+01 0.1000000000E+01 6 0.1768477039E+05 0.1000000000E+01 0.1000000000E+01 7 0.6480132276E+04 0.1000000000E+01 0.1000000000E+01 8 0.2590490987E+04 0.1000000000E+01 0.1000000000E+01 9 0.1115989241E+04 0.1000000000E+01 0.1000000000E+01 10 0.5117803130E+03 0.1000000000E+01 0.1000000000E+01 11 0.2467849822E+03 0.1000000000E+01 0.1000000000E+01 12 0.1236036804E+03 0.1000000000E+01 0.1000000000E+01 13 0.6351664319E+02 0.1000000000E+01 0.1000000000E+01 14 0.3307905336E+02 0.1000000000E+01 0.1000000000E+01 15 0.1724622092E+02 0.1000000000E+01 0.1000000000E+01 16 0.8891521707E+01 0.1000000000E+01 0.1000000000E+01 17 0.4477807872E+01 0.1000000000E+01 0.1000000000E+01 18 0.2175845080E+01 0.1000000000E+01 0.1000000000E+01 19 0.1007696096E+01 0.1000000000E+01 0.1000000000E+01 20 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0.1000000000E+01 8 0.2295125653E+01 0.1000000000E+01 0.1000000000E+01 9 0.1078378299E+01 0.1000000000E+01 0.1000000000E+01 10 0.4807313585E+00 0.1000000000E+01 0.1000000000E+01 11 0.1996596975E+00 0.1000000000E+01 0.1000000000E+01 F+ 1 0.4810157991E+03 0.1000000000E+01 0.1000000000E+01 2 0.1961000236E+03 0.1000000000E+01 0.1000000000E+01 3 0.8616533139E+02 0.1000000000E+01 0.1000000000E+01 4 0.4006951590E+02 0.1000000000E+01 0.1000000000E+01 5 0.1936476578E+02 0.1000000000E+01 0.1000000000E+01 6 0.9550300247E+01 0.1000000000E+01 0.1000000000E+01 7 0.4719743861E+01 0.1000000000E+01 0.1000000000E+01 8 0.2295125653E+01 0.1000000000E+01 0.1000000000E+01 9 0.1078378299E+01 0.1000000000E+01 0.1000000000E+01 10 0.4807313585E+00 0.1000000000E+01 0.1000000000E+01 11 0.1996596975E+00 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ F- F+ NUMBER OF CLOSED SHELLS 6 4 4 2 2 0 0 OPEN SHELLS 0 0 0 0 0 1 1 NUMBER OF OPEN SHELL CONFG 3 CONF OPEN SHELL OCCUPATION NUMBERS 1 0.0 0.0 0.0 0.0 0.0 6.0 6.0 2 0.0 0.0 0.0 0.0 0.0 5.0 7.0 3 0.0 0.0 0.0 0.0 0.0 4.0 8.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -2.1252509E+03 -3.6161365E+02 -8.3013715E+01 -1.7343947E+01 -2.3183808E+00 -1.9188173E-01 ------------ ------------ ------------ ------------ ------------ ------------ 1 1.1222395E-05 4.1425024E-06 -1.9419894E-06 9.3931991E-07 -3.6054135E-07 -8.8149382E-08 2 1.2451388E-04 4.6051207E-05 -2.1593070E-05 1.0444028E-05 -4.0083935E-06 -9.7987932E-07 3 2.8891738E-04 1.0721013E-04 -5.0299370E-05 2.4333136E-05 -9.3399247E-06 -2.2834420E-06 4 6.9131932E-04 2.5761623E-04 -1.2093331E-04 5.8507048E-05 -2.2455702E-05 -5.4893197E-06 5 1.4457198E-03 5.4232184E-04 -2.5487548E-04 1.2335257E-04 -4.7352974E-05 -1.1577661E-05 6 3.0411258E-03 1.1499670E-03 -5.4101784E-04 2.6186293E-04 -1.0051118E-04 -2.4568230E-05 7 6.1336446E-03 2.3430290E-03 -1.1043403E-03 5.3486904E-04 -2.0537836E-04 -5.0222566E-05 8 1.2283045E-02 4.7471943E-03 -2.2405548E-03 1.0851425E-03 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8 2.2305123E-02 -1.1563483E-02 -5.5372303E-03 1.8580233E-03 9 7.0567794E-02 -3.7578406E-02 -1.8158267E-02 6.1153184E-03 10 1.7686108E-01 -9.7787949E-02 -4.7510426E-02 1.5983915E-02 11 3.2166413E-01 -1.8930327E-01 -9.3881941E-02 3.1805573E-02 12 3.5789358E-01 -2.0552334E-01 -9.9836746E-02 3.3465763E-02 13 1.8697679E-01 4.1253954E-02 4.5497366E-02 -1.6837545E-02 14 3.1068294E-02 4.7439148E-01 3.5868474E-01 -1.3266773E-01 15 9.3714558E-04 4.7832899E-01 3.6139209E-01 -1.2911595E-01 16 -1.2876404E-04 1.1915870E-01 -2.9454755E-01 1.4707097E-01 17 -3.7534520E-05 8.2404348E-03 -6.5998637E-01 3.5081590E-01 18 -3.0320111E-05 -2.5888292E-04 -2.8107220E-01 1.0917530E-01 19 1.0736139E-05 3.9335696E-04 -1.7032728E-02 -4.4098062E-01 20 -3.9917285E-06 -1.6620154E-04 -2.6343645E-03 -5.8132449E-01 21 1.0767520E-06 4.8317227E-05 6.0328002E-04 -1.7740267E-01 22 5.0656640E-07 -2.5927073E-07 -1.2559310E-07 4.2633204E-08 23 3.2225236E-06 -1.6125069E-06 -7.6031988E-07 2.5310512E-07 24 1.7761286E-05 -9.0185583E-06 -4.3273190E-06 1.4589779E-06 25 8.1787533E-05 -4.1162328E-05 -1.9535933E-05 6.5343658E-06 26 3.2462464E-04 -1.6455495E-04 -7.8706542E-05 2.6471685E-05 27 1.1097445E-03 -5.6117324E-04 -2.6706079E-04 8.9470275E-05 28 3.3048063E-03 -1.6861204E-03 -8.0694529E-04 2.7127708E-04 29 8.4634106E-03 -4.3542529E-03 -2.0812962E-03 6.9808292E-04 30 1.8381857E-02 -9.7194707E-03 -4.6895376E-03 1.5789402E-03 31 3.2001914E-02 -1.7580516E-02 -8.5294844E-03 2.8687187E-03 32 4.0990172E-02 -2.3994031E-02 -1.1886824E-02 4.0262871E-03 33 3.2528796E-02 -1.8614785E-02 -9.0405032E-03 3.0303892E-03 34 1.2225390E-02 2.6122311E-03 2.9047231E-03 -1.0752022E-03 35 1.4682444E-03 2.2234779E-02 1.6792177E-02 -6.2097730E-03 36 3.1790126E-05 1.6223550E-02 1.2249226E-02 -4.3765219E-03 37 -3.0664073E-06 2.9029529E-03 -7.1592464E-03 3.5739692E-03 38 -6.8989507E-07 1.4266511E-04 -1.1395330E-02 6.0558872E-03 39 -3.4471682E-07 -3.2355480E-06 -3.3835695E-03 1.3142533E-03 40 7.8361667E-08 3.2776407E-06 -1.3951037E-04 -3.6115164E-03 41 -1.7600288E-08 -9.2099318E-07 -1.4259780E-05 -3.1438525E-03 42 2.5234492E-09 1.7268856E-07 2.0808770E-06 -6.1094013E-04 3D- 4D- -5.4594558E+01 -7.2015138E+00 ------------ ------------ 1 1.8143321E-04 8.7319929E-05 2 8.6304871E-04 4.1595384E-04 3 4.9375419E-03 2.3919752E-03 4 2.2701593E-02 1.1074082E-02 5 7.9831344E-02 3.9529647E-02 6 2.0051943E-01 1.0089528E-01 7 3.3843208E-01 1.6724260E-01 8 3.5388080E-01 1.4322695E-01 9 1.8176920E-01 -1.0173351E-01 10 3.6005800E-02 -3.9538465E-01 11 2.3971265E-03 -4.3602389E-01 12 2.8425926E-04 -1.9931394E-01 13 8.0208904E-05 -3.1087043E-02 14 6.6824966E-05 3.2211686E-05 15 3.1708436E-04 1.5286247E-04 16 1.3522657E-03 6.5528561E-04 17 4.4281427E-03 2.1602556E-03 18 1.0872325E-02 5.3839732E-03 19 1.9303004E-02 9.7155058E-03 20 2.3377660E-02 1.1559945E-02 21 1.7752923E-02 7.1955029E-03 22 6.6356395E-03 -3.7227190E-03 23 9.4357956E-04 -1.0520236E-02 24 3.6641419E-05 -8.3124911E-03 25 1.1392625E-06 -2.6589131E-03 26 -1.6166945E-06 -2.7971492E-04 3D+ 4D+ -5.3032935E+01 -6.8963077E+00 ------------ ------------ 1 -5.6442819E-05 2.7116341E-05 2 -5.0116093E-04 2.4097726E-04 3 -3.6816197E-03 1.7781964E-03 4 -1.9490230E-02 9.4799794E-03 5 -7.3410800E-02 3.6228420E-02 6 -1.9180103E-01 9.6341137E-02 7 -3.3350071E-01 1.6510244E-01 8 -3.6010036E-01 1.5011502E-01 9 -1.9200429E-01 -8.4983805E-02 10 -3.9870301E-02 -3.8355005E-01 11 -2.7177784E-03 -4.4387084E-01 12 -3.2311520E-04 -2.1330483E-01 13 -8.9722510E-05 -3.5558976E-02 14 -4.3098980E-05 2.0676707E-05 15 -2.4412757E-04 1.1720451E-04 16 -1.1460138E-03 5.5268665E-04 17 -3.9940020E-03 1.9400390E-03 18 -1.0214972E-02 5.0350052E-03 19 -1.8653252E-02 9.3599512E-03 20 -2.3171311E-02 1.1462369E-02 21 -1.8138827E-02 7.5604078E-03 22 -7.0507697E-03 -3.1093004E-03 23 -1.0627830E-03 -1.0210121E-02 24 -5.1955702E-05 -8.4657537E-03 25 -4.2840021E-06 -2.8470710E-03 26 -8.1917115E-07 -3.2122517E-04 4F- -5.2062465E-01 ------------ 1 -4.7698077E-04 2 -2.9784280E-03 3 -1.6562457E-02 4 -5.8478656E-02 5 -1.5150380E-01 6 -2.6267583E-01 7 -3.1552433E-01 8 -2.8940457E-01 9 -2.0651038E-01 10 -1.1052943E-01 11 -3.6249162E-02 12 -1.0170797E-04 13 -4.3865660E-04 14 -1.6507482E-03 15 -4.0202497E-03 16 -7.2703855E-03 17 -8.8708013E-03 18 -7.4969170E-03 19 -4.7971074E-03 20 -2.3467132E-03 21 -8.3871287E-04 22 -1.7724680E-04 4F+ -4.7432929E-01 ------------ 1 3.9970953E-04 2 2.7356597E-03 3 1.5644498E-02 4 5.6464050E-02 5 1.4762679E-01 6 2.5790071E-01 7 3.1349034E-01 8 2.9084919E-01 9 2.1146416E-01 10 1.1741402E-01 11 4.2381615E-02 12 9.2252826E-05 13 4.1214242E-04 14 1.5766616E-03 15 3.8979446E-03 16 7.1001230E-03 17 8.7191944E-03 18 7.4531949E-03 19 4.8228264E-03 20 2.4036208E-03 21 8.9110973E-04 22 2.0728912E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -2.1252551E+03 -3.6161421E+02 -8.3013840E+01 -1.7343976E+01 -2.3183850E+00 -1.9188194E-01 ------------ ------------ ------------ ------------ ------------ ------------ 1 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7.9831332E-02 3.9529641E-02 6 2.0051941E-01 1.0089526E-01 7 3.3843207E-01 1.6724259E-01 8 3.5388081E-01 1.4322697E-01 9 1.8176923E-01 -1.0173346E-01 10 3.6005813E-02 -3.9538462E-01 11 2.3971269E-03 -4.3602391E-01 12 2.8425944E-04 -1.9931398E-01 13 8.0208924E-05 -3.1087060E-02 14 6.6824955E-05 3.2211681E-05 15 3.1708430E-04 1.5286244E-04 16 1.3522655E-03 6.5528551E-04 17 4.4281420E-03 2.1602552E-03 18 1.0872323E-02 5.3839723E-03 19 1.9303002E-02 9.7155047E-03 20 2.3377659E-02 1.1559944E-02 21 1.7752924E-02 7.1955038E-03 22 6.6356405E-03 -3.7227174E-03 23 9.4357990E-04 -1.0520235E-02 24 3.6641427E-05 -8.3124913E-03 25 1.1392648E-06 -2.6589137E-03 26 -1.6166943E-06 -2.7971507E-04 3D+ 4D+ -5.3032929E+01 -6.8963062E+00 ------------ ------------ 1 -5.6442810E-05 2.7116336E-05 2 -5.0116082E-04 2.4097720E-04 3 -3.6816191E-03 1.7781961E-03 4 -1.9490227E-02 9.4799779E-03 5 -7.3410790E-02 3.6228415E-02 6 -1.9180101E-01 9.6341125E-02 7 -3.3350069E-01 1.6510243E-01 8 -3.6010036E-01 1.5011504E-01 9 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-1.7724718E-04 4F+ -4.7432828E-01 ------------ 1 3.9970940E-04 2 2.7356588E-03 3 1.5644494E-02 4 5.6464035E-02 5 1.4762676E-01 6 2.5790067E-01 7 3.1349031E-01 8 2.9084919E-01 9 2.1146421E-01 10 1.1741408E-01 11 4.2381708E-02 12 9.2252796E-05 13 4.1214229E-04 14 1.5766612E-03 15 3.8979436E-03 16 7.1001215E-03 17 8.7191931E-03 18 7.4531943E-03 19 4.8228264E-03 20 2.4036213E-03 21 8.9111022E-04 22 2.0728958E-04 ******************** THULIUM SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1690532079E+09 0.1000000000E+01 0.1000000000E+01 2 0.4299514555E+08 0.1000000000E+01 0.1000000000E+01 3 0.1210227324E+08 0.1000000000E+01 0.1000000000E+01 4 0.3745561724E+07 0.1000000000E+01 0.1000000000E+01 5 0.1266252709E+07 0.1000000000E+01 0.1000000000E+01 6 0.4645454298E+06 0.1000000000E+01 0.1000000000E+01 7 0.1837347583E+06 0.1000000000E+01 0.1000000000E+01 8 0.7783245513E+05 0.1000000000E+01 0.1000000000E+01 9 0.3508224402E+05 0.1000000000E+01 0.1000000000E+01 10 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7.3599248E-07 2.8758758E-04 4F- -5.3039777E-01 ------------ 1 4.9672470E-04 2 2.9810621E-03 3 1.6401112E-02 4 5.7888248E-02 5 1.5122722E-01 6 2.6494178E-01 7 3.1990512E-01 8 2.9256414E-01 9 2.0601944E-01 10 1.0738569E-01 11 3.2095044E-02 12 1.0691666E-04 13 4.4690459E-04 14 1.6720510E-03 15 4.0847017E-03 16 7.4570678E-03 17 9.1839405E-03 18 7.7751834E-03 19 4.9312598E-03 20 2.3602798E-03 21 8.1222189E-04 22 1.5419448E-04 4F+ -4.7813371E-01 ------------ 1 -4.1391809E-04 2 -2.7294509E-03 3 -1.5447102E-02 4 -5.5781865E-02 5 -1.4713672E-01 6 -2.5984170E-01 7 -3.1767101E-01 8 -2.9420767E-01 9 -2.1149356E-01 10 -1.1507217E-01 11 -3.8362813E-02 12 -9.6634905E-05 13 -4.1880761E-04 14 -1.5932741E-03 15 -3.9533326E-03 16 -7.2724112E-03 17 -9.0176725E-03 18 -7.7258987E-03 19 -4.9608646E-03 20 -2.4236376E-03 21 -8.7051838E-04 22 -1.8436163E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -2.1957436E+03 -3.7509394E+02 -8.6322183E+01 -1.8000739E+01 -2.3783738E+00 -1.9415190E-01 ------------ ------------ ------------ ------------ ------------ ------------ 1 1.8005795E-05 -6.6769825E-06 3.1372694E-06 1.5200934E-06 5.8189560E-07 1.4106907E-07 2 1.2712576E-04 -4.7225542E-05 2.2194405E-05 1.0753865E-05 4.1162704E-06 9.9780760E-07 3 3.1374309E-04 -1.1692751E-04 5.4982547E-05 2.6645199E-05 1.0200121E-05 2.4727933E-06 4 7.2872874E-04 -2.7279952E-04 1.2835830E-04 6.2209945E-05 2.3813070E-05 5.7723185E-06 5 1.5391736E-03 -5.8002284E-04 2.7322046E-04 1.3246248E-04 5.0714975E-05 1.2295415E-05 6 3.2060984E-03 -1.2182973E-03 5.7453843E-04 2.7859257E-04 1.0664617E-04 2.5849537E-05 7 6.4744734E-03 -2.4858008E-03 1.1744029E-03 5.6979572E-04 2.1821189E-04 5.2911306E-05 8 1.2900912E-02 -5.0135993E-03 2.3723103E-03 1.1511247E-03 4.4064962E-04 1.0678797E-04 9 2.4976822E-02 -9.8555616E-03 4.6770692E-03 2.2718967E-03 8.7050718E-04 2.1115029E-04 10 4.6743266E-02 -1.8837629E-02 8.9628538E-03 4.3537730E-03 1.6663591E-03 4.0364598E-04 11 8.2750811E-02 -3.4444422E-02 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4.9312599E-03 20 2.3602803E-03 21 8.1222242E-04 22 1.5419486E-04 4F+ -4.7813259E-01 ------------ 1 -4.1391795E-04 2 -2.7294500E-03 3 -1.5447098E-02 4 -5.5781849E-02 5 -1.4713668E-01 6 -2.5984166E-01 7 -3.1767098E-01 8 -2.9420767E-01 9 -2.1149361E-01 10 -1.1507224E-01 11 -3.8362910E-02 12 -9.6634871E-05 13 -4.1880747E-04 14 -1.5932736E-03 15 -3.9533315E-03 16 -7.2724096E-03 17 -9.0176711E-03 18 -7.7258981E-03 19 -4.9608646E-03 20 -2.4236381E-03 21 -8.7051892E-04 22 -1.8436210E-04 ******************** YTTERBIUM SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.1684530008E+09 0.1000000000E+01 0.1000000000E+01 2 0.4018834698E+08 0.1000000000E+01 0.1000000000E+01 3 0.1070110065E+08 0.1000000000E+01 0.1000000000E+01 4 0.3158141601E+07 0.1000000000E+01 0.1000000000E+01 5 0.1025835024E+07 0.1000000000E+01 0.1000000000E+01 6 0.3641951439E+06 0.1000000000E+01 0.1000000000E+01 7 0.1403361031E+06 0.1000000000E+01 0.1000000000E+01 8 0.5828425357E+05 0.1000000000E+01 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-4.5837390E-06 2.4389349E-03 26 -7.0380925E-07 2.4185624E-04 4F- -5.3866980E-01 ------------ 1 6.1123305E-04 2 3.7963031E-03 3 2.0621222E-02 4 7.2138816E-02 5 1.8047737E-01 6 2.9051621E-01 7 3.2348216E-01 8 2.7361774E-01 9 1.7944600E-01 10 8.6276294E-02 11 2.2169207E-02 12 1.2915026E-04 13 5.5513185E-04 14 2.0368908E-03 15 4.8932200E-03 16 8.4860947E-03 17 9.5282793E-03 18 7.3876217E-03 19 4.3107686E-03 20 1.9157390E-03 21 6.0804661E-04 22 9.9584873E-05 4F+ -4.7988781E-01 ------------ 1 5.1128834E-04 2 3.4788368E-03 3 1.9442484E-02 4 6.9553081E-02 5 1.7557713E-01 6 2.8534393E-01 7 3.2206140E-01 8 2.7630044E-01 9 1.8599323E-01 10 9.4418288E-02 11 2.7710927E-02 12 1.1671590E-04 13 5.1996943E-04 14 1.9411806E-03 15 4.7366956E-03 16 8.2736586E-03 17 9.3684131E-03 18 7.3596723E-03 19 4.3545717E-03 20 1.9861648E-03 21 6.6554574E-04 22 1.2452634E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -2.2676521E+03 -3.8889246E+02 -8.9709305E+01 -1.8672157E+01 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