GALLIUM SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.2985493181E+08 0.1000000000E+01 0.1000000000E+01 2 0.5676531350E+07 0.1000000000E+01 0.1000000000E+01 3 0.1247892213E+07 0.1000000000E+01 0.1000000000E+01 4 0.3132442921E+06 0.1000000000E+01 0.1000000000E+01 5 0.8867195738E+05 0.1000000000E+01 0.1000000000E+01 6 0.2795576897E+05 0.1000000000E+01 0.1000000000E+01 7 0.9694459234E+04 0.1000000000E+01 0.1000000000E+01 8 0.3651974309E+04 0.1000000000E+01 0.1000000000E+01 9 0.1475940323E+04 0.1000000000E+01 0.1000000000E+01 10 0.6320214562E+03 0.1000000000E+01 0.1000000000E+01 11 0.2832055542E+03 0.1000000000E+01 0.1000000000E+01 12 0.1311485857E+03 0.1000000000E+01 0.1000000000E+01 13 0.6198724536E+02 0.1000000000E+01 0.1000000000E+01 14 0.2953268441E+02 0.1000000000E+01 0.1000000000E+01 15 0.1400716852E+02 0.1000000000E+01 0.1000000000E+01 16 0.6531750766E+01 0.1000000000E+01 0.1000000000E+01 17 0.2957506166E+01 0.1000000000E+01 0.1000000000E+01 18 0.1284172885E+01 0.1000000000E+01 0.1000000000E+01 19 0.5280901849E+00 0.1000000000E+01 0.1000000000E+01 20 0.2031254964E+00 0.1000000000E+01 0.1000000000E+01 21 0.7217345702E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.8866794085E+05 0.1000000000E+01 0.1000000000E+01 2 0.2207419386E+05 0.1000000000E+01 0.1000000000E+01 3 0.6359554354E+04 0.1000000000E+01 0.1000000000E+01 4 0.2083419469E+04 0.1000000000E+01 0.1000000000E+01 5 0.7626399619E+03 0.1000000000E+01 0.1000000000E+01 6 0.3065065821E+03 0.1000000000E+01 0.1000000000E+01 7 0.1328991064E+03 0.1000000000E+01 0.1000000000E+01 8 0.6108729953E+02 0.1000000000E+01 0.1000000000E+01 9 0.2924899880E+02 0.1000000000E+01 0.1000000000E+01 10 0.1433464349E+02 0.1000000000E+01 0.1000000000E+01 11 0.7065830310E+01 0.1000000000E+01 0.1000000000E+01 12 0.3442108276E+01 0.1000000000E+01 0.1000000000E+01 13 0.1628378915E+01 0.1000000000E+01 0.1000000000E+01 14 0.7350902013E+00 0.1000000000E+01 0.1000000000E+01 15 0.3111462844E+00 0.1000000000E+01 0.1000000000E+01 16 0.1213422458E+00 0.1000000000E+01 0.1000000000E+01 17 0.4284177573E-01 0.1000000000E+01 0.1000000000E+01 P+ 1 0.8866794085E+05 0.1000000000E+01 0.1000000000E+01 2 0.2207419386E+05 0.1000000000E+01 0.1000000000E+01 3 0.6359554354E+04 0.1000000000E+01 0.1000000000E+01 4 0.2083419469E+04 0.1000000000E+01 0.1000000000E+01 5 0.7626399619E+03 0.1000000000E+01 0.1000000000E+01 6 0.3065065821E+03 0.1000000000E+01 0.1000000000E+01 7 0.1328991064E+03 0.1000000000E+01 0.1000000000E+01 8 0.6108729953E+02 0.1000000000E+01 0.1000000000E+01 9 0.2924899880E+02 0.1000000000E+01 0.1000000000E+01 10 0.1433464349E+02 0.1000000000E+01 0.1000000000E+01 11 0.7065830310E+01 0.1000000000E+01 0.1000000000E+01 12 0.3442108276E+01 0.1000000000E+01 0.1000000000E+01 13 0.1628378915E+01 0.1000000000E+01 0.1000000000E+01 14 0.7350902013E+00 0.1000000000E+01 0.1000000000E+01 15 0.3111462844E+00 0.1000000000E+01 0.1000000000E+01 16 0.1213422458E+00 0.1000000000E+01 0.1000000000E+01 17 0.4284177573E-01 0.1000000000E+01 0.1000000000E+01 D- 1 0.5470614554E+03 0.1000000000E+01 0.1000000000E+01 2 0.1785375907E+03 0.1000000000E+01 0.1000000000E+01 3 0.6714412694E+02 0.1000000000E+01 0.1000000000E+01 4 0.2817080571E+02 0.1000000000E+01 0.1000000000E+01 5 0.1276531244E+02 0.1000000000E+01 0.1000000000E+01 6 0.6048290480E+01 0.1000000000E+01 0.1000000000E+01 7 0.2900887663E+01 0.1000000000E+01 0.1000000000E+01 8 0.1363497443E+01 0.1000000000E+01 0.1000000000E+01 9 0.6080383309E+00 0.1000000000E+01 0.1000000000E+01 10 0.2490513328E+00 0.1000000000E+01 0.1000000000E+01 D+ 1 0.5470614554E+03 0.1000000000E+01 0.1000000000E+01 2 0.1785375907E+03 0.1000000000E+01 0.1000000000E+01 3 0.6714412694E+02 0.1000000000E+01 0.1000000000E+01 4 0.2817080571E+02 0.1000000000E+01 0.1000000000E+01 5 0.1276531244E+02 0.1000000000E+01 0.1000000000E+01 6 0.6048290480E+01 0.1000000000E+01 0.1000000000E+01 7 0.2900887663E+01 0.1000000000E+01 0.1000000000E+01 8 0.1363497443E+01 0.1000000000E+01 0.1000000000E+01 9 0.6080383309E+00 0.1000000000E+01 0.1000000000E+01 10 0.2490513328E+00 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 4 2 2 1 1 OPEN SHELLS 0 1 1 0 0 NUMBER OF OPEN SHELL CONFG 2 CONF OPEN SHELL OCCUPATION NUMBERS 1 0.0 1.0 0.0 0.0 0.0 2 0.0 0.0 1.0 0.0 0.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -3.8391393E+02 -4.9303118E+01 -6.5811713E+00 -4.3402237E-01 ------------ ------------ ------------ ------------ 1 -1.0596996E-05 -3.3613822E-06 1.2867412E-06 3.0186979E-07 2 -3.2311767E-05 -1.0265252E-05 3.9302816E-06 9.2230335E-07 3 -1.1988888E-04 -3.8191507E-05 1.4627519E-05 3.4314502E-06 4 -4.1107413E-04 -1.3122825E-04 5.0273465E-05 1.1800080E-05 5 -1.4115820E-03 -4.5240379E-04 1.7340332E-04 4.0674734E-05 6 -4.6251886E-03 -1.4866014E-03 5.6999428E-04 1.3383309E-04 7 -1.4220018E-02 -4.6150782E-03 1.7717205E-03 4.1556093E-04 8 -3.9981759E-02 -1.3187639E-02 5.0728312E-03 1.1920061E-03 9 -1.0001859E-01 -3.4481268E-02 1.3338885E-02 3.1304505E-03 10 -2.1035199E-01 -7.9033434E-02 3.0910819E-02 7.2840862E-03 11 -3.3418927E-01 -1.5196599E-01 6.0980352E-02 1.4366093E-02 12 -3.1676290E-01 -1.9779307E-01 8.3098028E-02 1.9822150E-02 13 -1.1752353E-01 -5.7170477E-02 2.5692011E-02 5.9810993E-03 14 -7.2825610E-03 3.9816478E-01 -2.2616470E-01 -5.5602021E-02 15 -1.1541302E-03 5.9411814E-01 -5.0152168E-01 -1.3212212E-01 16 4.9714088E-04 1.7250338E-01 -6.9946945E-02 -1.2918514E-02 17 -2.0429572E-04 5.5047854E-03 6.9574745E-01 2.2582023E-01 18 1.3095970E-04 1.9808631E-03 5.2371319E-01 3.1047002E-01 19 -5.5321575E-05 -3.1264942E-04 3.7699386E-02 1.1728637E-02 20 2.1562213E-05 1.2853855E-04 2.1566536E-03 -6.4695171E-01 21 -5.6364411E-06 -3.3713447E-05 -6.4791064E-04 -5.1498695E-01 22 -3.4814999E-05 -1.1031116E-05 4.2221643E-06 9.9026284E-07 23 -1.1406864E-04 -3.6108637E-05 1.3818771E-05 3.2433305E-06 24 -3.2581104E-04 -1.0326363E-04 3.9525719E-05 9.2696651E-06 25 -8.2506154E-04 -2.6128404E-04 9.9998462E-05 2.3472037E-05 26 -1.9080312E-03 -6.0570682E-04 2.3189058E-04 5.4378943E-05 27 -4.0602777E-03 -1.2906756E-03 4.9419885E-04 1.1602577E-04 28 -7.9967776E-03 -2.5660060E-03 9.8371137E-04 2.3067440E-04 29 -1.4496905E-02 -4.7271775E-03 1.8158466E-03 4.2662549E-04 30 -2.3717779E-02 -8.0883348E-03 3.1248272E-03 7.3320297E-04 31 -3.3175234E-02 -1.2338075E-02 4.8198047E-03 1.1356265E-03 32 -3.5603966E-02 -1.6039753E-02 6.4296635E-03 1.5145076E-03 33 -2.3077555E-02 -1.4293362E-02 6.0007778E-03 1.4313000E-03 34 -5.8988372E-03 -2.8728032E-03 1.2930844E-03 3.0119554E-04 35 -2.5248229E-04 1.3661478E-02 -7.7494860E-03 -1.9048325E-03 36 -2.7399065E-05 1.4063219E-02 -1.1859293E-02 -3.1239686E-03 37 8.0456109E-06 2.7895160E-03 -1.1325043E-03 -2.0957927E-04 38 -2.2112238E-06 5.9864037E-05 7.5617587E-03 2.4539996E-03 39 9.2982892E-07 1.4199579E-05 3.7510588E-03 2.2234285E-03 40 -2.4882431E-07 -1.4371188E-06 1.7318042E-04 5.3901852E-05 41 5.8875315E-08 3.6611673E-07 6.1363332E-06 -1.8426839E-03 42 -8.7541851E-09 -5.7162133E-08 -1.0981453E-06 -8.7434672E-04 2P- 3P- 4P- -4.3440020E+01 -4.6194590E+00 -2.0940361E-01 ------------ ------------ ------------ 1 -9.9611072E-05 -3.7900542E-05 6.1911477E-06 2 -2.0656458E-04 -7.8585746E-05 1.2846076E-05 3 -8.1817577E-04 -3.1221422E-04 5.0987111E-05 4 -3.1112346E-03 -1.1886663E-03 1.9446267E-04 5 -1.2419816E-02 -4.7892275E-03 7.8278116E-04 6 -4.3342211E-02 -1.6932777E-02 2.7767320E-03 7 -1.2426542E-01 -5.0227847E-02 8.2476398E-03 8 -2.6360242E-01 -1.1111251E-01 1.8375308E-02 9 -3.7693015E-01 -1.6933439E-01 2.8104276E-02 10 -2.8471436E-01 -9.7548256E-02 1.5595119E-02 11 -7.7389617E-02 1.9686807E-01 -3.9670521E-02 12 -6.3530459E-03 4.5571743E-01 -8.9121454E-02 13 -6.9751377E-04 3.9514377E-01 -9.0429923E-02 14 -2.3772172E-04 1.1283097E-01 -1.7534436E-03 15 2.9632004E-05 3.7466054E-03 2.2168464E-01 16 -1.5072717E-05 1.2779101E-03 5.2857321E-01 17 5.2045104E-06 -1.8988598E-04 3.9403890E-01 18 -2.2639126E-05 -8.6399985E-06 1.4098422E-06 19 -7.8265353E-05 -2.9763060E-05 4.8704027E-06 20 -2.8230703E-04 -1.0790415E-04 1.7613620E-05 21 -8.9893957E-04 -3.4344729E-04 5.6201175E-05 22 -2.5098915E-03 -9.6812436E-04 1.5822461E-04 23 -5.9236669E-03 -2.3142116E-03 3.7951296E-04 24 -1.1458189E-02 -4.6322339E-03 7.6063122E-04 25 -1.6658774E-02 -7.0240648E-03 1.1616557E-03 26 -1.6548339E-02 -7.4393663E-03 1.2347724E-03 27 -8.7539836E-03 -3.0038982E-03 4.8035996E-04 28 -1.6502072E-03 4.2719016E-03 -8.6052201E-04 29 -7.9446754E-05 6.8994943E-03 -1.3491398E-03 30 3.5692360E-06 4.1152044E-03 -9.4168279E-04 31 4.1933753E-06 7.8981725E-04 -1.2421601E-05 32 3.9558904E-06 1.7390802E-05 1.0087523E-03 33 1.5193378E-06 3.7619814E-06 1.5021646E-03 34 1.4368226E-06 -1.9674795E-07 6.6537316E-04 2P+ 3P+ 4P+ -4.2411385E+01 -4.4772507E+00 -2.0578962E-01 ------------ ------------ ------------ 1 -6.7352820E-06 -2.5720235E-06 4.1876497E-07 2 -5.1851684E-05 -1.9707841E-05 3.2203056E-06 3 -3.7445900E-04 -1.4309387E-04 2.3315034E-05 4 -2.1849319E-03 -8.3431863E-04 1.3629052E-04 5 -1.0397371E-02 -4.0077803E-03 6.5385515E-04 6 -3.9518150E-02 -1.5424364E-02 2.5247914E-03 7 -1.1809072E-01 -4.7671561E-02 7.8134602E-03 8 -2.5749704E-01 -1.0838069E-01 1.7886670E-02 9 -3.7711535E-01 -1.6945534E-01 2.8076654E-02 10 -2.9323213E-01 -1.0545088E-01 1.6971411E-02 11 -8.3147543E-02 1.8422789E-01 -3.7056694E-02 12 -7.0722337E-03 4.5061849E-01 -8.7711663E-02 13 -7.6868452E-04 4.0457201E-01 -9.2077369E-02 14 -2.3851055E-04 1.2173522E-01 -7.8716300E-03 15 2.3988643E-05 4.5179311E-03 2.1312847E-01 16 -1.3090397E-05 1.3797950E-03 5.2450798E-01 17 4.7169991E-06 -2.0323926E-04 4.0841025E-01 18 -1.1362800E-05 -4.3380835E-06 7.0579896E-07 19 -5.2589439E-05 -1.9953596E-05 3.2608555E-06 20 -2.2156033E-04 -8.4559466E-05 1.3774369E-05 21 -7.7459363E-04 -2.9534687E-04 4.8241828E-05 22 -2.2844853E-03 -8.7944404E-04 1.4345656E-04 23 -5.5760987E-03 -2.1737079E-03 3.5577093E-04 24 -1.1048020E-02 -4.4550686E-03 7.3011274E-04 25 -1.6388742E-02 -6.8916048E-03 1.1372626E-03 26 -1.6636855E-02 -7.4699624E-03 1.2375971E-03 27 -9.0643623E-03 -3.2590488E-03 5.2455965E-04 28 -1.8049261E-03 3.9934206E-03 -8.0319994E-04 29 -1.0718869E-04 6.8206924E-03 -1.3275285E-03 30 -7.9799721E-06 4.2123342E-03 -9.5861686E-04 31 -1.6817015E-06 8.5162816E-04 -5.5080015E-05 32 1.1483368E-07 2.0561832E-05 9.6992474E-04 33 -3.9390727E-08 3.9219266E-06 1.4906572E-03 34 8.6088380E-09 -3.4331192E-07 6.8968668E-04 3D- -1.1764791E+00 ------------ 1 -3.8700708E-04 2 -2.9962678E-03 3 -1.7187698E-02 4 -6.2077940E-02 5 -1.5744597E-01 6 -2.6838657E-01 7 -3.2099279E-01 8 -2.9357059E-01 9 -1.7663561E-01 10 -4.6576902E-02 11 -7.7913034E-05 12 -3.7481375E-04 13 -1.3423689E-03 14 -3.1658619E-03 15 -5.4184981E-03 16 -6.3656916E-03 17 -5.2748081E-03 18 -3.3081468E-03 19 -1.3292053E-03 20 -2.2418486E-04 3D+ -1.1567547E+00 ------------ 1 3.3433663E-04 2 2.8383759E-03 3 1.6683663E-02 4 6.1035733E-02 5 1.5562152E-01 6 2.6642888E-01 7 3.2026236E-01 8 2.9515282E-01 9 1.7977611E-01 10 4.8589329E-02 11 7.3663319E-05 12 3.6257743E-04 13 1.3140283E-03 14 3.1216727E-03 15 5.3638440E-03 16 6.3239686E-03 17 5.2653075E-03 18 3.3270257E-03 19 1.3532783E-03 20 2.3408990E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -3.8391393E+02 -4.9303118E+01 -6.5811714E+00 -4.3402237E-01 ------------ ------------ ------------ ------------ 1 -1.0605109E-05 3.3639599E-06 1.2877281E-06 3.0210143E-07 2 -3.2310576E-05 1.0264867E-05 3.9301340E-06 9.2226862E-07 3 -1.1988808E-04 3.8191262E-05 1.4627426E-05 3.4314284E-06 4 -4.1107705E-04 1.3122917E-04 5.0273817E-05 1.1800163E-05 5 -1.4115794E-03 4.5240295E-04 1.7340299E-04 4.0674658E-05 6 -4.6251932E-03 1.4866029E-03 5.6999484E-04 1.3383322E-04 7 -1.4220014E-02 4.6150771E-03 1.7717201E-03 4.1556082E-04 8 -3.9981766E-02 1.3187641E-02 5.0728320E-03 1.1920063E-03 9 -1.0001859E-01 3.4481267E-02 1.3338884E-02 3.1304503E-03 10 -2.1035200E-01 7.9033438E-02 3.0910820E-02 7.2840865E-03 11 -3.3418926E-01 1.5196599E-01 6.0980351E-02 1.4366092E-02 12 -3.1676290E-01 1.9779308E-01 8.3098028E-02 1.9822150E-02 13 -1.1752352E-01 5.7170469E-02 2.5692009E-02 5.9810985E-03 14 -7.2825657E-03 -3.9816478E-01 -2.2616470E-01 -5.5602021E-02 15 -1.1541267E-03 -5.9411814E-01 -5.0152167E-01 -1.3212212E-01 16 4.9713870E-04 -1.7250337E-01 -6.9946940E-02 -1.2918511E-02 17 -2.0429447E-04 -5.5047861E-03 6.9574745E-01 2.2582023E-01 18 1.3095908E-04 -1.9808626E-03 5.2371319E-01 3.1047002E-01 19 -5.5321285E-05 3.1264912E-04 3.7699383E-02 1.1728626E-02 20 2.1562116E-05 -1.2853843E-04 2.1566539E-03 -6.4695171E-01 21 -5.6363743E-06 3.3713365E-05 -6.4791272E-04 -5.1498694E-01 22 -3.5043558E-05 1.1103501E-05 4.2498680E-06 9.9676255E-07 23 -1.1397556E-04 3.6079162E-05 1.3807491E-05 3.2406838E-06 24 -3.2585504E-04 1.0327756E-04 3.9531052E-05 9.2709162E-06 25 -8.2504148E-04 2.6127769E-04 9.9996031E-05 2.3471466E-05 26 -1.9080440E-03 6.0571084E-04 2.3189212E-04 5.4379305E-05 27 -4.0602710E-03 1.2906734E-03 4.9419804E-04 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------------ ------------ 1 -9.9611082E-05 -3.7900546E-05 6.1911483E-06 2 -2.0656457E-04 -7.8585742E-05 1.2846075E-05 3 -8.1817578E-04 -3.1221422E-04 5.0987111E-05 4 -3.1112346E-03 -1.1886663E-03 1.9446267E-04 5 -1.2419816E-02 -4.7892275E-03 7.8278116E-04 6 -4.3342211E-02 -1.6932777E-02 2.7767320E-03 7 -1.2426542E-01 -5.0227847E-02 8.2476398E-03 8 -2.6360242E-01 -1.1111251E-01 1.8375307E-02 9 -3.7693015E-01 -1.6933439E-01 2.8104276E-02 10 -2.8471436E-01 -9.7548257E-02 1.5595119E-02 11 -7.7389617E-02 1.9686807E-01 -3.9670520E-02 12 -6.3530460E-03 4.5571743E-01 -8.9121455E-02 13 -6.9751368E-04 3.9514377E-01 -9.0429921E-02 14 -2.3772180E-04 1.1283097E-01 -1.7534474E-03 15 2.9632059E-05 3.7466058E-03 2.2168464E-01 16 -1.5072729E-05 1.2779094E-03 5.2857320E-01 17 5.2045064E-06 -1.8988557E-04 3.9403891E-01 18 -2.2639125E-05 -8.6399980E-06 1.4098421E-06 19 -7.8265353E-05 -2.9763060E-05 4.8704027E-06 20 -2.8230703E-04 -1.0790415E-04 1.7613620E-05 21 -8.9893957E-04 -3.4344729E-04 5.6201175E-05 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-4.7671561E-02 7.8134602E-03 8 -2.5749704E-01 -1.0838069E-01 1.7886670E-02 9 -3.7711535E-01 -1.6945534E-01 2.8076654E-02 10 -2.9323213E-01 -1.0545088E-01 1.6971410E-02 11 -8.3147543E-02 1.8422789E-01 -3.7056694E-02 12 -7.0722340E-03 4.5061849E-01 -8.7711662E-02 13 -7.6868432E-04 4.0457201E-01 -9.2077369E-02 14 -2.3851063E-04 1.2173522E-01 -7.8716297E-03 15 2.3988620E-05 4.5179322E-03 2.1312847E-01 16 -1.3090385E-05 1.3797944E-03 5.2450798E-01 17 4.7169752E-06 -2.0323967E-04 4.0841025E-01 18 -1.1362799E-05 -4.3380830E-06 7.0579887E-07 19 -5.2589439E-05 -1.9953596E-05 3.2608555E-06 20 -2.2156033E-04 -8.4559466E-05 1.3774369E-05 21 -7.7459362E-04 -2.9534687E-04 4.8241828E-05 22 -2.2844853E-03 -8.7944404E-04 1.4345656E-04 23 -5.5760987E-03 -2.1737079E-03 3.5577092E-04 24 -1.1048020E-02 -4.4550686E-03 7.3011274E-04 25 -1.6388742E-02 -6.8916048E-03 1.1372626E-03 26 -1.6636855E-02 -7.4699624E-03 1.2375971E-03 27 -9.0643623E-03 -3.2590488E-03 5.2455965E-04 28 -1.8049261E-03 3.9934206E-03 -8.0319993E-04 29 -1.0718870E-04 6.8206924E-03 -1.3275285E-03 30 -7.9799700E-06 4.2123342E-03 -9.5861685E-04 31 -1.6817021E-06 8.5162815E-04 -5.5080013E-05 32 1.1483358E-07 2.0561837E-05 9.6992473E-04 33 -3.9390571E-08 3.9219249E-06 1.4906572E-03 34 8.6087506E-09 -3.4331258E-07 6.8968668E-04 3D- -1.1764791E+00 ------------ 1 -3.8700707E-04 2 -2.9962678E-03 3 -1.7187698E-02 4 -6.2077940E-02 5 -1.5744597E-01 6 -2.6838657E-01 7 -3.2099279E-01 8 -2.9357059E-01 9 -1.7663561E-01 10 -4.6576902E-02 11 -7.7913034E-05 12 -3.7481375E-04 13 -1.3423689E-03 14 -3.1658619E-03 15 -5.4184981E-03 16 -6.3656916E-03 17 -5.2748081E-03 18 -3.3081469E-03 19 -1.3292053E-03 20 -2.2418486E-04 3D+ -1.1567547E+00 ------------ 1 3.3433663E-04 2 2.8383759E-03 3 1.6683663E-02 4 6.1035733E-02 5 1.5562152E-01 6 2.6642888E-01 7 3.2026236E-01 8 2.9515282E-01 9 1.7977611E-01 10 4.8589330E-02 11 7.3663319E-05 12 3.6257743E-04 13 1.3140283E-03 14 3.1216727E-03 15 5.3638440E-03 16 6.3239686E-03 17 5.2653075E-03 18 3.3270257E-03 19 1.3532783E-03 20 2.3408990E-04 ******************** GERMANIUM SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.3189771503E+08 0.1000000000E+01 0.1000000000E+01 2 0.6004914335E+07 0.1000000000E+01 0.1000000000E+01 3 0.1311382250E+07 0.1000000000E+01 0.1000000000E+01 4 0.3280234043E+06 0.1000000000E+01 0.1000000000E+01 5 0.9279214430E+05 0.1000000000E+01 0.1000000000E+01 6 0.2931070349E+05 0.1000000000E+01 0.1000000000E+01 7 0.1020769602E+05 0.1000000000E+01 0.1000000000E+01 8 0.3869844136E+04 0.1000000000E+01 0.1000000000E+01 9 0.1576889568E+04 0.1000000000E+01 0.1000000000E+01 10 0.6819129708E+03 0.1000000000E+01 0.1000000000E+01 11 0.3089970197E+03 0.1000000000E+01 0.1000000000E+01 12 0.1448622083E+03 0.1000000000E+01 0.1000000000E+01 13 0.6937598886E+02 0.1000000000E+01 0.1000000000E+01 14 0.3351153716E+02 0.1000000000E+01 0.1000000000E+01 15 0.1612086692E+02 0.1000000000E+01 0.1000000000E+01 16 0.7625513961E+01 0.1000000000E+01 0.1000000000E+01 17 0.3501985435E+01 0.1000000000E+01 0.1000000000E+01 18 0.1541706988E+01 0.1000000000E+01 0.1000000000E+01 19 0.6424057806E+00 0.1000000000E+01 0.1000000000E+01 20 0.2501583112E+00 0.1000000000E+01 0.1000000000E+01 21 0.8988684405E-01 0.1000000000E+01 0.1000000000E+01 P- 1 0.1107106102E+06 0.1000000000E+01 0.1000000000E+01 2 0.2707053178E+05 0.1000000000E+01 0.1000000000E+01 3 0.7670244705E+04 0.1000000000E+01 0.1000000000E+01 4 0.2475222597E+04 0.1000000000E+01 0.1000000000E+01 5 0.8941278692E+03 0.1000000000E+01 0.1000000000E+01 6 0.3553473254E+03 0.1000000000E+01 0.1000000000E+01 7 0.1527081580E+03 0.1000000000E+01 0.1000000000E+01 8 0.6974529486E+02 0.1000000000E+01 0.1000000000E+01 9 0.3327352393E+02 0.1000000000E+01 0.1000000000E+01 10 0.1629677277E+02 0.1000000000E+01 0.1000000000E+01 11 0.8053989683E+01 0.1000000000E+01 0.1000000000E+01 12 0.3947434160E+01 0.1000000000E+01 0.1000000000E+01 13 0.1885822478E+01 0.1000000000E+01 0.1000000000E+01 14 0.8630908798E+00 0.1000000000E+01 0.1000000000E+01 15 0.3719373336E+00 0.1000000000E+01 0.1000000000E+01 16 0.1483297502E+00 0.1000000000E+01 0.1000000000E+01 17 0.5380463915E-01 0.1000000000E+01 0.1000000000E+01 P+ 1 0.1107106102E+06 0.1000000000E+01 0.1000000000E+01 2 0.2707053178E+05 0.1000000000E+01 0.1000000000E+01 3 0.7670244705E+04 0.1000000000E+01 0.1000000000E+01 4 0.2475222597E+04 0.1000000000E+01 0.1000000000E+01 5 0.8941278692E+03 0.1000000000E+01 0.1000000000E+01 6 0.3553473254E+03 0.1000000000E+01 0.1000000000E+01 7 0.1527081580E+03 0.1000000000E+01 0.1000000000E+01 8 0.6974529486E+02 0.1000000000E+01 0.1000000000E+01 9 0.3327352393E+02 0.1000000000E+01 0.1000000000E+01 10 0.1629677277E+02 0.1000000000E+01 0.1000000000E+01 11 0.8053989683E+01 0.1000000000E+01 0.1000000000E+01 12 0.3947434160E+01 0.1000000000E+01 0.1000000000E+01 13 0.1885822478E+01 0.1000000000E+01 0.1000000000E+01 14 0.8630908798E+00 0.1000000000E+01 0.1000000000E+01 15 0.3719373336E+00 0.1000000000E+01 0.1000000000E+01 16 0.1483297502E+00 0.1000000000E+01 0.1000000000E+01 17 0.5380463915E-01 0.1000000000E+01 0.1000000000E+01 D- 1 0.6209042224E+03 0.1000000000E+01 0.1000000000E+01 2 0.2032514375E+03 0.1000000000E+01 0.1000000000E+01 3 0.7685666788E+02 0.1000000000E+01 0.1000000000E+01 4 0.3249060810E+02 0.1000000000E+01 0.1000000000E+01 5 0.1486113361E+02 0.1000000000E+01 0.1000000000E+01 6 0.7117923198E+01 0.1000000000E+01 0.1000000000E+01 7 0.3455026360E+01 0.1000000000E+01 0.1000000000E+01 8 0.1644885189E+01 0.1000000000E+01 0.1000000000E+01 9 0.7433535527E+00 0.1000000000E+01 0.1000000000E+01 10 0.3086173287E+00 0.1000000000E+01 0.1000000000E+01 D+ 1 0.6209042224E+03 0.1000000000E+01 0.1000000000E+01 2 0.2032514375E+03 0.1000000000E+01 0.1000000000E+01 3 0.7685666788E+02 0.1000000000E+01 0.1000000000E+01 4 0.3249060810E+02 0.1000000000E+01 0.1000000000E+01 5 0.1486113361E+02 0.1000000000E+01 0.1000000000E+01 6 0.7117923198E+01 0.1000000000E+01 0.1000000000E+01 7 0.3455026360E+01 0.1000000000E+01 0.1000000000E+01 8 0.1644885189E+01 0.1000000000E+01 0.1000000000E+01 9 0.7433535527E+00 0.1000000000E+01 0.1000000000E+01 10 0.3086173287E+00 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 4 2 2 1 1 OPEN SHELLS 0 1 1 0 0 NUMBER OF OPEN SHELL CONFG 3 CONF OPEN SHELL OCCUPATION NUMBERS 1 0.0 2.0 0.0 0.0 0.0 2 0.0 1.0 1.0 0.0 0.0 3 0.0 0.0 2.0 0.0 0.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -4.1106833E+02 -5.3458955E+01 -7.4120170E+00 -5.7031149E-01 ------------ ------------ ------------ ------------ 1 -1.1162970E-05 3.5582560E-06 -1.3763374E-06 3.5567152E-07 2 -3.4726162E-05 1.1087822E-05 -4.2895877E-06 1.1089674E-06 3 -1.2761979E-04 4.0858404E-05 -1.5812914E-05 4.0859399E-06 4 -4.3403758E-04 1.3930351E-04 -5.3926897E-05 1.3945770E-05 5 -1.4739740E-03 4.7492078E-04 -1.8395212E-04 4.7522834E-05 6 -4.7740576E-03 1.5434011E-03 -5.9800922E-04 1.5472400E-04 7 -1.4490652E-02 4.7294753E-03 -1.8349076E-03 4.7392983E-04 8 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-2.9362471E-04 1.1879764E-04 41 6.6451089E-08 -8.7949701E-07 -2.6773940E-06 -2.2138515E-03 42 -1.0053442E-08 1.4502694E-07 4.4589159E-07 -9.1530457E-04 2P- 3P- 4P- -4.7334846E+01 -5.3268956E+00 -2.7245308E-01 ------------ ------------ ------------ 1 -9.4917280E-05 3.6654329E-05 7.1830903E-06 2 -1.9605833E-04 7.5709624E-05 1.4845206E-05 3 -7.5148840E-04 2.9099590E-04 5.7014677E-05 4 -2.7960017E-03 1.0840571E-03 2.1273537E-04 5 -1.1154336E-02 4.3625493E-03 8.5548681E-04 6 -3.9456727E-02 1.5623654E-02 3.0733768E-03 7 -1.1571591E-01 4.7342845E-02 9.3284190E-03 8 -2.5268323E-01 1.0780847E-01 2.1394544E-02 9 -3.7429658E-01 1.7014805E-01 3.3920152E-02 10 -2.9892490E-01 1.1165943E-01 2.1664815E-02 11 -8.8960899E-02 -1.7466638E-01 -4.3164487E-02 12 -7.8473380E-03 -4.4990083E-01 -1.0694169E-01 13 -8.0434215E-04 -4.1125301E-01 -1.1518159E-01 14 -2.1818150E-04 -1.2221959E-01 -2.0295082E-04 15 2.5786574E-05 -4.1458720E-03 2.8281071E-01 16 -1.0412440E-05 -1.4495132E-03 5.4435581E-01 17 4.9409338E-06 1.5627768E-04 3.1741171E-01 18 -2.1090685E-05 8.1688044E-06 1.5992915E-06 19 -7.2835014E-05 2.8117661E-05 5.5190566E-06 20 -2.6348691E-04 1.0221114E-04 2.0017579E-05 21 -8.4683845E-04 3.2835736E-04 6.4454301E-05 22 -2.4005616E-03 9.3919442E-04 1.8416077E-04 23 -5.7667174E-03 2.2834413E-03 4.4920260E-04 24 -1.1404920E-02 4.6669485E-03 9.1957099E-04 25 -1.7041460E-02 7.2730938E-03 1.4434047E-03 26 -1.7517332E-02 7.9685724E-03 1.5886826E-03 27 -9.7978512E-03 3.6658303E-03 7.1145871E-04 28 -2.0275963E-03 -4.0470091E-03 -9.9965960E-04 29 -1.0783264E-04 -7.2943921E-03 -1.7336511E-03 30 3.5711414E-06 -4.6091775E-03 -1.2907625E-03 31 5.1537317E-06 -9.2704551E-04 -1.7726496E-06 32 4.6914563E-06 -2.1028443E-05 1.4069953E-03 33 1.7774613E-06 -4.7046305E-06 1.7104087E-03 34 1.8005058E-06 1.4234747E-07 6.0062660E-04 2P+ 3P+ 4P+ -4.6150341E+01 -5.1596620E+00 -2.6580747E-01 ------------ ------------ ------------ 1 5.4603045E-06 2.1171040E-06 -4.1294546E-07 2 4.2605878E-05 1.6445639E-05 -3.2186088E-06 3 3.1336625E-04 1.2157971E-04 -2.3731323E-05 4 1.8686946E-03 7.2445840E-04 -1.4174915E-04 5 9.1193391E-03 3.5666842E-03 -6.9708352E-04 6 3.5553087E-02 1.4070002E-02 -2.7586234E-03 7 1.0926638E-01 4.4662180E-02 -8.7706898E-03 8 2.4593136E-01 1.0480703E-01 -2.0725190E-02 9 3.7375558E-01 1.6994300E-01 -3.3768938E-02 10 3.0767008E-01 1.1962008E-01 -2.3290604E-02 11 9.5637533E-02 -1.6107004E-01 3.9752558E-02 12 8.8139884E-03 -4.4363807E-01 1.0476908E-01 13 8.8667716E-04 -4.2090443E-01 1.1702088E-01 14 2.1865916E-04 -1.3202574E-01 8.3663185E-03 15 -1.9757612E-05 -5.0542945E-03 -2.7199281E-01 16 8.0070601E-06 -1.5628323E-03 -5.4226077E-01 17 -4.4242346E-06 1.6283590E-04 -3.3391505E-01 18 9.8335129E-06 3.8119304E-06 -7.4294976E-07 19 4.6699208E-05 1.7992339E-05 -3.5217397E-06 20 2.0101949E-04 7.7886238E-05 -1.5198604E-05 21 7.1718100E-04 2.7759820E-04 -5.4309082E-05 22 2.1618847E-03 8.4435196E-04 -1.6499394E-04 23 5.3917952E-03 2.1308976E-03 -4.1773700E-04 24 1.0948472E-02 4.4697962E-03 -8.7765631E-04 25 1.6719129E-02 7.1178005E-03 -1.4073750E-03 26 1.7584406E-02 7.9886947E-03 -1.5872842E-03 27 1.0140806E-02 3.9413900E-03 -7.6745231E-04 28 2.2166521E-03 -3.7270030E-03 9.1976090E-04 29 1.4305442E-04 -7.1909402E-03 1.6980518E-03 30 9.9127720E-06 -4.7161268E-03 1.3110663E-03 31 1.6709688E-06 -1.0008259E-03 6.3446092E-05 32 -1.0421452E-07 -2.5149182E-05 -1.3533384E-03 33 2.7467607E-08 -4.9118700E-06 -1.7038935E-03 34 -9.0518700E-09 3.0842061E-07 -6.3192847E-04 3D- -1.6185456E+00 ------------ 1 -3.6853956E-04 2 -2.8053090E-03 3 -1.6141598E-02 4 -5.8715305E-02 5 -1.5081115E-01 6 -2.6403182E-01 7 -3.2442545E-01 8 -3.0017602E-01 9 -1.7190694E-01 10 -3.9641789E-02 11 -7.7944122E-05 12 -3.7287782E-04 13 -1.3462330E-03 14 -3.2133937E-03 15 -5.5980193E-03 16 -6.7924880E-03 17 -5.8176630E-03 18 -3.7150577E-03 19 -1.4302503E-03 20 -2.1231099E-04 3D+ -1.5943810E+00 ------------ 1 3.1335614E-04 2 2.6432871E-03 3 1.5626682E-02 4 5.7667486E-02 5 1.4900675E-01 6 2.6209208E-01 7 3.2372304E-01 8 3.0186587E-01 9 1.7498374E-01 10 4.1253733E-02 11 7.3353135E-05 12 3.5981750E-04 13 1.3159784E-03 14 3.1665361E-03 15 5.5406856E-03 16 6.7484038E-03 17 5.8082359E-03 18 3.7373550E-03 19 1.4564275E-03 20 2.2124612E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -4.1106834E+02 -5.3458956E+01 -7.4120171E+00 -5.7031149E-01 ------------ ------------ ------------ ------------ 1 1.1175217E-05 3.5621656E-06 1.3778498E-06 3.5606256E-07 2 3.4722727E-05 1.1086718E-05 4.2891605E-06 1.1088569E-06 3 1.2762069E-04 4.0858702E-05 1.5813030E-05 4.0859699E-06 4 4.3403944E-04 1.3930409E-04 5.3927122E-05 1.3945827E-05 5 1.4739726E-03 4.7492035E-04 1.8395195E-04 4.7522791E-05 6 4.7740613E-03 1.5434023E-03 5.9800968E-04 1.5472412E-04 7 1.4490650E-02 4.7294746E-03 1.8349073E-03 4.7392976E-04 8 4.0185996E-02 1.3337373E-02 5.1847911E-03 1.3428566E-03 9 9.9087046E-02 3.4345340E-02 1.3428453E-02 3.4694178E-03 10 2.0592811E-01 7.7718120E-02 3.0715731E-02 7.9824062E-03 11 3.2612962E-01 1.4799978E-01 5.9989398E-02 1.5548302E-02 12 3.1663278E-01 1.9543937E-01 8.2817903E-02 2.1827692E-02 13 1.2745317E-01 7.2723791E-02 3.2991914E-02 8.3787302E-03 14 9.9362314E-03 -3.5431614E-01 -2.0009583E-01 -5.3791982E-02 15 1.1651357E-03 -6.0164355E-01 -4.9398750E-01 -1.4397420E-01 16 -4.7906387E-04 -2.1232091E-01 -1.5178119E-01 -3.8967603E-02 17 2.0337651E-04 -8.1452889E-03 6.4921142E-01 2.2760831E-01 18 -1.3581544E-04 -2.9207080E-03 5.8930352E-01 3.7085165E-01 19 5.6626391E-05 6.9017177E-04 5.7953693E-02 2.3441636E-02 20 -2.1781406E-05 -2.7688959E-04 8.4965531E-04 -7.0039583E-01 21 5.7195787E-06 7.5988545E-05 -2.3653800E-04 -4.8307854E-01 22 3.5864399E-05 1.1418257E-05 4.4160265E-06 1.1407300E-06 23 1.1997663E-04 3.8170559E-05 1.4760271E-05 3.8169953E-06 24 3.4379254E-04 1.0948447E-04 4.2345011E-05 1.0937232E-05 25 8.7061057E-04 2.7711254E-04 1.0716287E-04 2.7715810E-05 26 2.0077512E-03 6.4042695E-04 2.4774966E-04 6.3981142E-05 27 4.2521093E-03 1.3587264E-03 5.2568942E-04 1.3600483E-04 28 8.3168964E-03 2.6818889E-03 1.0389482E-03 2.6826155E-04 29 1.4953962E-02 4.9030044E-03 1.9031454E-03 4.9284940E-04 30 2.4249020E-02 8.3082778E-03 3.2438215E-03 8.3787512E-04 31 3.3713045E-02 1.2585552E-02 4.9676644E-03 1.2908196E-03 32 3.6290022E-02 1.6304764E-02 6.6014218E-03 1.7106775E-03 33 2.4251277E-02 1.4838344E-02 6.2828706E-03 1.6557707E-03 34 6.7713394E-03 3.8579394E-03 1.7519504E-03 4.4515926E-04 35 3.6720082E-04 -1.2945274E-02 -7.2996601E-03 -1.9619067E-03 36 2.9688744E-05 -1.5277751E-02 -1.2529949E-02 -3.6515086E-03 37 -8.3865970E-06 -3.7100855E-03 -2.6520682E-03 -6.8119844E-04 38 2.4002835E-06 -9.6373055E-05 7.6778053E-03 2.6913394E-03 39 -1.0595346E-06 -2.2963034E-05 4.6248039E-03 2.9099796E-03 40 2.8217059E-07 3.5091370E-06 2.9362470E-04 1.1879791E-04 41 -6.6469676E-08 -8.7950323E-07 2.6773932E-06 -2.2138517E-03 42 1.0058803E-08 1.4502890E-07 -4.4589474E-07 -9.1530448E-04 2P- 3P- 4P- -4.7334846E+01 -5.3268956E+00 -2.7245307E-01 ------------ ------------ ------------ 1 -9.4917296E-05 3.6654335E-05 7.1830915E-06 2 -1.9605831E-04 7.5709618E-05 1.4845205E-05 3 -7.5148841E-04 2.9099590E-04 5.7014677E-05 4 -2.7960016E-03 1.0840571E-03 2.1273537E-04 5 -1.1154336E-02 4.3625493E-03 8.5548681E-04 6 -3.9456726E-02 1.5623654E-02 3.0733768E-03 7 -1.1571591E-01 4.7342845E-02 9.3284190E-03 8 -2.5268323E-01 1.0780847E-01 2.1394544E-02 9 -3.7429658E-01 1.7014805E-01 3.3920152E-02 10 -2.9892490E-01 1.1165943E-01 2.1664815E-02 11 -8.8960900E-02 -1.7466638E-01 -4.3164487E-02 12 -7.8473381E-03 -4.4990083E-01 -1.0694169E-01 13 -8.0434205E-04 -4.1125301E-01 -1.1518159E-01 14 -2.1818161E-04 -1.2221959E-01 -2.0294997E-04 15 2.5786671E-05 -4.1458731E-03 2.8281070E-01 16 -1.0412514E-05 -1.4495125E-03 5.4435581E-01 17 4.9409730E-06 1.5627740E-04 3.1741171E-01 18 -2.1090683E-05 8.1688036E-06 1.5992914E-06 19 -7.2835015E-05 2.8117661E-05 5.5190566E-06 20 -2.6348691E-04 1.0221114E-04 2.0017579E-05 21 -8.4683845E-04 3.2835736E-04 6.4454301E-05 22 -2.4005616E-03 9.3919441E-04 1.8416077E-04 23 -5.7667174E-03 2.2834413E-03 4.4920260E-04 24 -1.1404920E-02 4.6669484E-03 9.1957099E-04 25 -1.7041460E-02 7.2730938E-03 1.4434047E-03 26 -1.7517332E-02 7.9685724E-03 1.5886826E-03 27 -9.7978512E-03 3.6658303E-03 7.1145871E-04 28 -2.0275963E-03 -4.0470091E-03 -9.9965960E-04 29 -1.0783264E-04 -7.2943920E-03 -1.7336511E-03 30 3.5711428E-06 -4.6091775E-03 -1.2907625E-03 31 5.1537306E-06 -9.2704550E-04 -1.7726431E-06 32 4.6914569E-06 -2.1028448E-05 1.4069953E-03 33 1.7774610E-06 -4.7046282E-06 1.7104087E-03 34 1.8005059E-06 1.4234691E-07 6.0062661E-04 2P+ 3P+ 4P+ -4.6150340E+01 -5.1596620E+00 -2.6580747E-01 ------------ ------------ ------------ 1 5.4603037E-06 2.1171037E-06 -4.1294541E-07 2 4.2605879E-05 1.6445639E-05 -3.2186088E-06 3 3.1336625E-04 1.2157971E-04 -2.3731323E-05 4 1.8686946E-03 7.2445840E-04 -1.4174915E-04 5 9.1193391E-03 3.5666841E-03 -6.9708352E-04 6 3.5553087E-02 1.4070002E-02 -2.7586234E-03 7 1.0926638E-01 4.4662180E-02 -8.7706898E-03 8 2.4593136E-01 1.0480703E-01 -2.0725190E-02 9 3.7375558E-01 1.6994300E-01 -3.3768938E-02 10 3.0767008E-01 1.1962008E-01 -2.3290604E-02 11 9.5637533E-02 -1.6107004E-01 3.9752558E-02 12 8.8139885E-03 -4.4363807E-01 1.0476908E-01 13 8.8667711E-04 -4.2090443E-01 1.1702088E-01 14 2.1865916E-04 -1.3202574E-01 8.3663191E-03 15 -1.9757575E-05 -5.0542951E-03 -2.7199281E-01 16 8.0070274E-06 -1.5628323E-03 -5.4226077E-01 17 -4.4242308E-06 1.6283556E-04 -3.3391505E-01 18 9.8335112E-06 3.8119298E-06 -7.4294964E-07 19 4.6699208E-05 1.7992339E-05 -3.5217397E-06 20 2.0101949E-04 7.7886238E-05 -1.5198604E-05 21 7.1718100E-04 2.7759820E-04 -5.4309082E-05 22 2.1618847E-03 8.4435195E-04 -1.6499394E-04 23 5.3917952E-03 2.1308976E-03 -4.1773700E-04 24 1.0948472E-02 4.4697962E-03 -8.7765631E-04 25 1.6719129E-02 7.1178005E-03 -1.4073750E-03 26 1.7584406E-02 7.9886947E-03 -1.5872842E-03 27 1.0140806E-02 3.9413900E-03 -7.6745232E-04 28 2.2166521E-03 -3.7270030E-03 9.1976090E-04 29 1.4305443E-04 -7.1909402E-03 1.6980518E-03 30 9.9127714E-06 -4.7161268E-03 1.3110663E-03 31 1.6709689E-06 -1.0008259E-03 6.3446096E-05 32 -1.0421436E-07 -2.5149185E-05 -1.3533384E-03 33 2.7467503E-08 -4.9118697E-06 -1.7038935E-03 34 -9.0518451E-09 3.0841997E-07 -6.3192847E-04 3D- -1.6185456E+00 ------------ 1 -3.6853956E-04 2 -2.8053090E-03 3 -1.6141598E-02 4 -5.8715305E-02 5 -1.5081115E-01 6 -2.6403182E-01 7 -3.2442545E-01 8 -3.0017602E-01 9 -1.7190694E-01 10 -3.9641789E-02 11 -7.7944121E-05 12 -3.7287782E-04 13 -1.3462330E-03 14 -3.2133937E-03 15 -5.5980193E-03 16 -6.7924880E-03 17 -5.8176630E-03 18 -3.7150577E-03 19 -1.4302503E-03 20 -2.1231099E-04 3D+ -1.5943810E+00 ------------ 1 3.1335614E-04 2 2.6432871E-03 3 1.5626682E-02 4 5.7667485E-02 5 1.4900675E-01 6 2.6209208E-01 7 3.2372304E-01 8 3.0186587E-01 9 1.7498374E-01 10 4.1253733E-02 11 7.3353134E-05 12 3.5981750E-04 13 1.3159783E-03 14 3.1665361E-03 15 5.5406856E-03 16 6.7484038E-03 17 5.8082359E-03 18 3.7373550E-03 19 1.4564275E-03 20 2.2124612E-04 ******************** ARSENIC SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.3670050657E+08 0.1000000000E+01 0.1000000000E+01 2 0.7096475829E+07 0.1000000000E+01 0.1000000000E+01 3 0.1577357540E+07 0.1000000000E+01 0.1000000000E+01 4 0.3983659049E+06 0.1000000000E+01 0.1000000000E+01 5 0.1129917201E+06 0.1000000000E+01 0.1000000000E+01 6 0.3557716761E+05 0.1000000000E+01 0.1000000000E+01 7 0.1229148224E+05 0.1000000000E+01 0.1000000000E+01 8 0.4605673332E+04 0.1000000000E+01 0.1000000000E+01 9 0.1850060103E+04 0.1000000000E+01 0.1000000000E+01 10 0.7874631209E+03 0.1000000000E+01 0.1000000000E+01 11 0.3510541707E+03 0.1000000000E+01 0.1000000000E+01 12 0.1620188050E+03 0.1000000000E+01 0.1000000000E+01 13 0.7651594282E+02 0.1000000000E+01 0.1000000000E+01 14 0.3654950605E+02 0.1000000000E+01 0.1000000000E+01 15 0.1745428272E+02 0.1000000000E+01 0.1000000000E+01 16 0.8236852018E+01 0.1000000000E+01 0.1000000000E+01 17 0.3796707424E+01 0.1000000000E+01 0.1000000000E+01 18 0.1689613835E+01 0.1000000000E+01 0.1000000000E+01 19 0.7175465616E+00 0.1000000000E+01 0.1000000000E+01 20 0.2874371317E+00 0.1000000000E+01 0.1000000000E+01 21 0.1073528683E+00 0.1000000000E+01 0.1000000000E+01 P- 1 0.1331081188E+06 0.1000000000E+01 0.1000000000E+01 2 0.3199940702E+05 0.1000000000E+01 0.1000000000E+01 3 0.8926607652E+04 0.1000000000E+01 0.1000000000E+01 4 0.2840645374E+04 0.1000000000E+01 0.1000000000E+01 5 0.1013707303E+04 0.1000000000E+01 0.1000000000E+01 6 0.3987971425E+03 0.1000000000E+01 0.1000000000E+01 7 0.1700256068E+03 0.1000000000E+01 0.1000000000E+01 8 0.7722864010E+02 0.1000000000E+01 0.1000000000E+01 9 0.3673864422E+02 0.1000000000E+01 0.1000000000E+01 10 0.1799398989E+02 0.1000000000E+01 0.1000000000E+01 11 0.8920112952E+01 0.1000000000E+01 0.1000000000E+01 12 0.4399777304E+01 0.1000000000E+01 0.1000000000E+01 13 0.2122694145E+01 0.1000000000E+01 0.1000000000E+01 14 0.9847351935E+00 0.1000000000E+01 0.1000000000E+01 15 0.4318229631E+00 0.1000000000E+01 0.1000000000E+01 16 0.1759645440E+00 0.1000000000E+01 0.1000000000E+01 17 0.6550232125E-01 0.1000000000E+01 0.1000000000E+01 P+ 1 0.1331081188E+06 0.1000000000E+01 0.1000000000E+01 2 0.3199940702E+05 0.1000000000E+01 0.1000000000E+01 3 0.8926607652E+04 0.1000000000E+01 0.1000000000E+01 4 0.2840645374E+04 0.1000000000E+01 0.1000000000E+01 5 0.1013707303E+04 0.1000000000E+01 0.1000000000E+01 6 0.3987971425E+03 0.1000000000E+01 0.1000000000E+01 7 0.1700256068E+03 0.1000000000E+01 0.1000000000E+01 8 0.7722864010E+02 0.1000000000E+01 0.1000000000E+01 9 0.3673864422E+02 0.1000000000E+01 0.1000000000E+01 10 0.1799398989E+02 0.1000000000E+01 0.1000000000E+01 11 0.8920112952E+01 0.1000000000E+01 0.1000000000E+01 12 0.4399777304E+01 0.1000000000E+01 0.1000000000E+01 13 0.2122694145E+01 0.1000000000E+01 0.1000000000E+01 14 0.9847351935E+00 0.1000000000E+01 0.1000000000E+01 15 0.4318229631E+00 0.1000000000E+01 0.1000000000E+01 16 0.1759645440E+00 0.1000000000E+01 0.1000000000E+01 17 0.6550232125E-01 0.1000000000E+01 0.1000000000E+01 D- 1 0.7360628185E+03 0.1000000000E+01 0.1000000000E+01 2 0.2341676268E+03 0.1000000000E+01 0.1000000000E+01 3 0.8756895589E+02 0.1000000000E+01 0.1000000000E+01 4 0.3711567484E+02 0.1000000000E+01 0.1000000000E+01 5 0.1719178430E+02 0.1000000000E+01 0.1000000000E+01 6 0.8390995314E+01 0.1000000000E+01 0.1000000000E+01 7 0.4161093417E+01 0.1000000000E+01 0.1000000000E+01 8 0.2021507912E+01 0.1000000000E+01 0.1000000000E+01 9 0.9276623855E+00 0.1000000000E+01 0.1000000000E+01 10 0.3877247292E+00 0.1000000000E+01 0.1000000000E+01 D+ 1 0.7360628185E+03 0.1000000000E+01 0.1000000000E+01 2 0.2341676268E+03 0.1000000000E+01 0.1000000000E+01 3 0.8756895589E+02 0.1000000000E+01 0.1000000000E+01 4 0.3711567484E+02 0.1000000000E+01 0.1000000000E+01 5 0.1719178430E+02 0.1000000000E+01 0.1000000000E+01 6 0.8390995314E+01 0.1000000000E+01 0.1000000000E+01 7 0.4161093417E+01 0.1000000000E+01 0.1000000000E+01 8 0.2021507912E+01 0.1000000000E+01 0.1000000000E+01 9 0.9276623855E+00 0.1000000000E+01 0.1000000000E+01 10 0.3877247292E+00 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 4 2 2 1 1 OPEN SHELLS 0 1 1 0 0 NUMBER OF OPEN SHELL CONFG 3 CONF OPEN SHELL OCCUPATION NUMBERS 1 0.0 2.0 1.0 0.0 0.0 2 0.0 1.0 2.0 0.0 0.0 3 0.0 0.0 3.0 0.0 0.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -4.3921798E+02 -5.7814567E+01 -8.2925695E+00 -7.1263615E-01 ------------ ------------ ------------ ------------ 1 1.0849290E-05 -3.4745909E-06 -1.3580845E-06 3.7705952E-07 2 3.3126292E-05 -1.0626175E-05 -4.1540525E-06 1.1538472E-06 3 1.1855126E-04 -3.8132323E-05 -1.4912881E-05 4.1399960E-06 4 3.9246350E-04 -1.2655536E-04 -4.9505441E-05 1.3755228E-05 5 1.3091678E-03 -4.2387388E-04 -1.6591160E-04 4.6050247E-05 6 4.2113114E-03 -1.3679207E-03 -5.3557155E-04 1.4888505E-04 7 1.2846346E-02 -4.2103468E-03 -1.6506321E-03 4.5804496E-04 8 3.6169609E-02 -1.2034756E-02 -4.7261751E-03 1.3151458E-03 9 9.1400526E-02 -3.1658751E-02 -1.2501167E-02 3.4701157E-03 10 1.9629046E-01 -7.3620086E-02 -2.9362978E-02 8.1973400E-03 11 3.2384622E-01 -1.4481855E-01 -5.9190094E-02 1.6484242E-02 12 3.2960413E-01 -1.9958455E-01 -8.5200312E-02 2.4115672E-02 13 1.3907442E-01 -8.5711498E-02 -3.9305170E-02 1.0811179E-02 14 1.1083892E-02 3.4780611E-01 1.9839689E-01 -5.7391563E-02 15 1.3363262E-03 6.0825969E-01 5.0275393E-01 -1.5799937E-01 16 -6.0946921E-04 2.1572331E-01 1.5781430E-01 -4.4071814E-02 17 2.8752398E-04 8.5622815E-03 -6.5558884E-01 2.4974102E-01 18 -1.8464369E-04 2.8460482E-03 -5.8993387E-01 4.1757878E-01 19 8.1819630E-05 -7.0011647E-04 -5.4635100E-02 -2.0689374E-02 20 -3.1875088E-05 2.6647120E-04 -1.9292716E-03 -7.2885420E-01 21 8.4047450E-06 -7.6950651E-05 3.8710336E-04 -4.4438816E-01 22 3.3270125E-05 -1.0643298E-05 -4.1596429E-06 1.1543481E-06 23 1.1374849E-04 -3.6359157E-05 -1.4206898E-05 3.9474864E-06 24 3.2332819E-04 -1.0346097E-04 -4.0436565E-05 1.1220585E-05 25 8.1700230E-04 -2.6126088E-04 -1.0208891E-04 2.8369706E-05 26 1.8884678E-03 -6.0517812E-04 -2.3657557E-04 6.5636619E-05 27 4.0274604E-03 -1.2923952E-03 -5.0522408E-04 1.4044171E-04 28 7.9688913E-03 -2.5787445E-03 -1.0093764E-03 2.8000049E-04 29 1.4560014E-02 -4.7821830E-03 -1.8749829E-03 5.2167500E-04 30 2.4123868E-02 -8.2528638E-03 -3.2538698E-03 9.0296729E-04 31 3.4467513E-02 -1.2777011E-02 -5.0889207E-03 1.4204666E-03 32 3.8389698E-02 -1.6983812E-02 -6.9330739E-03 1.9304482E-03 33 2.6703173E-02 -1.6017366E-02 -6.8316499E-03 1.9334638E-03 34 7.7640645E-03 -4.7710799E-03 -2.1894834E-03 6.0245739E-04 35 4.2801114E-04 1.3268193E-02 7.5560963E-03 -2.1852108E-03 36 3.5512804E-05 1.6072556E-02 1.3268648E-02 -4.1694174E-03 37 -1.1133081E-05 3.9181101E-03 2.8661178E-03 -8.0078680E-04 38 3.5585818E-06 1.0548777E-04 -8.0728573E-03 3.0747162E-03 39 -1.5197987E-06 2.3430679E-05 -4.8468239E-03 3.4302062E-03 40 4.3659888E-07 -3.7639134E-06 -2.9256677E-04 -1.1067031E-04 41 -1.0658614E-07 9.0813643E-07 -6.5262506E-06 -2.4695115E-03 42 1.6836169E-08 -1.6065065E-07 7.9854860E-07 -9.2017388E-04 2P- 3P- 4P- -5.1425708E+01 -6.0810087E+00 -3.3582702E-01 ------------ ------------ ------------ 1 -9.3047199E-05 -3.6462480E-05 8.0702730E-06 2 -1.9287243E-04 -7.5580017E-05 1.6737414E-05 3 -7.2075169E-04 -2.8318830E-04 6.2666230E-05 4 -2.6369731E-03 -1.0373849E-03 2.2993084E-04 5 -1.0498109E-02 -4.1653246E-03 9.2253653E-04 6 -3.7488598E-02 -1.5052784E-02 3.3447399E-03 7 -1.1153035E-01 -4.6248758E-02 1.0294402E-02 8 -2.4760388E-01 -1.0708611E-01 2.4016752E-02 9 -3.7292972E-01 -1.7188286E-01 3.8738816E-02 10 -3.0516093E-01 -1.1849912E-01 2.6087070E-02 11 -9.4914964E-02 1.6450280E-01 -4.6817205E-02 12 -8.8380607E-03 4.4780857E-01 -1.2168249E-01 13 -8.2321828E-04 4.1829820E-01 -1.3563022E-01 14 -2.1396206E-04 1.2452588E-01 8.2924265E-03 15 3.2988193E-05 4.4361503E-03 3.2854740E-01 16 -9.3958617E-06 1.5526653E-03 5.3846714E-01 17 6.0518637E-06 -9.3586494E-05 2.7352660E-01 18 -2.0386877E-05 -8.0131561E-06 1.7717800E-06 19 -7.0415465E-05 -2.7586149E-05 6.1159870E-06 20 -2.5523863E-04 -1.0048271E-04 2.2225095E-05 21 -8.2675327E-04 -3.2528349E-04 7.2120485E-05 22 -2.3707616E-03 -9.4101435E-04 2.0839880E-04 23 -5.7695862E-03 -2.3166766E-03 5.1479456E-04 24 -1.1570336E-02 -4.7988322E-03 1.0681552E-03 25 -1.7552904E-02 -7.5939346E-03 1.7032139E-03 26 -1.8330605E-02 -8.4547009E-03 1.9056376E-03 27 -1.0507171E-02 -4.0871568E-03 9.0003995E-04 28 -2.2766443E-03 4.0115988E-03 -1.1410594E-03 29 -1.2935907E-04 7.6652703E-03 -2.0825470E-03 30 4.5219696E-06 4.9739586E-03 -1.6125531E-03 31 5.9788647E-06 1.0089458E-03 6.6813700E-05 32 5.5134654E-06 2.4244404E-05 1.7611935E-03 33 2.0027683E-06 5.4809157E-06 1.8427701E-03 34 2.2069291E-06 -9.9297004E-09 5.7105098E-04 2P+ 3P+ 4P+ -5.0067930E+01 -5.8850553E+00 -3.2538537E-01 ------------ ------------ ------------ 1 4.6932760E-06 1.8476608E-06 4.0650058E-07 2 3.7105111E-05 1.4539692E-05 3.2106162E-06 3 2.7733449E-04 1.0924721E-04 2.4054032E-05 4 1.6862818E-03 6.6360021E-04 1.4648942E-04 5 8.4021582E-03 3.3352187E-03 7.3533928E-04 6 3.3423899E-02 1.3417995E-02 2.9682190E-03 7 1.0472773E-01 4.3402258E-02 9.6169558E-03 8 2.4027703E-01 1.0383007E-01 2.3176754E-02 9 3.7197716E-01 1.7153186E-01 3.8487966E-02 10 3.1425759E-01 1.2682592E-01 2.7980068E-02 11 1.0229065E-01 -1.4994247E-01 -4.2646214E-02 12 9.9990131E-03 -4.4080578E-01 -1.1882451E-01 13 9.1312508E-04 -4.2848541E-01 -1.3773237E-01 14 2.1442571E-04 -1.3496876E-01 -1.9940802E-03 15 -2.7046874E-05 -5.4181089E-03 3.1621745E-01 16 6.7369995E-06 -1.6853115E-03 5.3811119E-01 17 -5.6074199E-06 9.2772373E-05 2.9167004E-01 18 8.8792416E-06 3.4952955E-06 7.6828234E-07 19 4.3212604E-05 1.6899123E-05 3.7322185E-06 20 1.8962161E-04 7.4588699E-05 1.6417727E-05 21 6.8894393E-04 2.7065617E-04 5.9739287E-05 22 2.1140724E-03 8.3790264E-04 1.8470109E-04 23 5.3612558E-03 2.1491183E-03 4.7533745E-04 24 1.1064540E-02 4.5795217E-03 1.0145636E-03 25 1.7183630E-02 7.4172396E-03 1.6554676E-03 26 1.8387951E-02 8.4715401E-03 1.9006465E-03 27 1.0884254E-02 4.3908491E-03 9.6874984E-04 28 2.4952767E-03 -3.6508298E-03 -1.0382699E-03 29 1.7134458E-04 -7.5431987E-03 -2.0331462E-03 30 1.0830796E-05 -5.0937188E-03 -1.6371496E-03 31 1.7513558E-06 -1.0928818E-03 -1.6196431E-05 32 -1.5177795E-07 -2.9048604E-05 1.6953247E-03 33 2.5720884E-08 -5.7694579E-06 1.8416418E-03 34 -1.2490524E-08 1.9409663E-07 6.0903579E-04 3D- -2.0996609E+00 ------------ 1 3.2499396E-04 2 2.6005790E-03 3 1.5249869E-02 4 5.5678070E-02 5 1.4244090E-01 6 2.5339169E-01 7 3.2091362E-01 8 3.0773389E-01 9 1.7772137E-01 10 3.9666904E-02 11 7.3387307E-05 12 3.6893459E-04 13 1.3549232E-03 14 3.2541734E-03 15 5.6845800E-03 16 7.0763101E-03 17 6.3147133E-03 18 4.2218818E-03 19 1.6517057E-03 20 2.3804080E-04 3D+ -2.0702115E+00 ------------ 1 -2.7025279E-04 2 -2.4326820E-03 3 -1.4719309E-02 4 -5.4610080E-02 5 -1.4064739E-01 6 -2.5144848E-01 7 -3.2014032E-01 8 -3.0939426E-01 9 -1.8080392E-01 10 -4.1178482E-02 11 -6.8628179E-05 12 -3.5488841E-04 13 -1.3222512E-03 14 -3.2039573E-03 15 -5.6241482E-03 16 -7.0290860E-03 17 -6.3034545E-03 18 -4.2465037E-03 19 -1.6811265E-03 20 -2.4753611E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -4.3921799E+02 -5.7814568E+01 -8.2925696E+00 -7.1263616E-01 ------------ ------------ ------------ ------------ 1 -1.0869095E-05 3.4809396E-06 -1.3605662E-06 -3.7774886E-07 2 -3.3117369E-05 1.0623307E-05 -4.1529313E-06 -1.1535357E-06 3 -1.1855666E-04 3.8134065E-05 -1.4913562E-05 -4.1401854E-06 4 -3.9246176E-04 1.2655479E-04 -4.9505218E-05 -1.3755166E-05 5 -1.3091703E-03 4.2387470E-04 -1.6591192E-04 -4.6050337E-05 6 -4.2113115E-03 1.3679207E-03 -5.3557155E-04 -1.4888505E-04 7 -1.2846349E-02 4.2103477E-03 -1.6506324E-03 -4.5804506E-04 8 -3.6169611E-02 1.2034756E-02 -4.7261753E-03 -1.3151459E-03 9 -9.1400530E-02 3.1658753E-02 -1.2501168E-02 -3.4701159E-03 10 -1.9629047E-01 7.3620087E-02 -2.9362979E-02 -8.1973402E-03 11 -3.2384622E-01 1.4481855E-01 -5.9190094E-02 -1.6484243E-02 12 -3.2960412E-01 1.9958454E-01 -8.5200311E-02 -2.4115672E-02 13 -1.3907441E-01 8.5711491E-02 -3.9305165E-02 -1.0811178E-02 14 -1.1083891E-02 -3.4780612E-01 1.9839689E-01 5.7391566E-02 15 -1.3363256E-03 -6.0825968E-01 5.0275393E-01 1.5799937E-01 16 6.0946881E-04 -2.1572330E-01 1.5781428E-01 4.4071809E-02 17 -2.8752379E-04 -8.5622804E-03 -6.5558884E-01 -2.4974103E-01 18 1.8464357E-04 -2.8460482E-03 -5.8993386E-01 -4.1757878E-01 19 -8.1819635E-05 7.0011642E-04 -5.4635096E-02 2.0689395E-02 20 3.1875098E-05 -2.6647117E-04 -1.9292717E-03 7.2885419E-01 21 -8.4048315E-06 7.6950518E-05 3.8710167E-04 4.4438815E-01 22 -3.3639824E-05 1.0761517E-05 -4.2058404E-06 -1.1671761E-06 23 -1.1359863E-04 3.6311243E-05 -1.4188174E-05 -3.9422874E-06 24 -3.2339996E-04 1.0348392E-04 -4.0445534E-05 -1.1223076E-05 25 -8.1696995E-04 2.6125053E-04 -1.0208487E-04 -2.8368585E-05 26 -1.8884886E-03 6.0518476E-04 -2.3657817E-04 -6.5637341E-05 27 -4.0274498E-03 1.2923918E-03 -5.0522275E-04 -1.4044134E-04 28 -7.9689004E-03 2.5787474E-03 -1.0093775E-03 -2.8000081E-04 29 -1.4560009E-02 4.7821815E-03 -1.8749823E-03 -5.2167484E-04 30 -2.4123873E-02 8.2528655E-03 -3.2538705E-03 -9.0296748E-04 31 -3.4467511E-02 1.2777010E-02 -5.0889204E-03 -1.4204665E-03 32 -3.8389701E-02 1.6983813E-02 -6.9330743E-03 -1.9304483E-03 33 -2.6703171E-02 1.6017366E-02 -6.8316496E-03 -1.9334637E-03 34 -7.7640654E-03 4.7710799E-03 -2.1894833E-03 -6.0245739E-04 35 -4.2801024E-04 -1.3268194E-02 7.5560966E-03 2.1852109E-03 36 -3.5513339E-05 -1.6072556E-02 1.3268648E-02 4.1694175E-03 37 1.1133402E-05 -3.9181100E-03 2.8661175E-03 8.0078672E-04 38 -3.5587652E-06 -1.0548770E-04 -8.0728574E-03 -3.0747163E-03 39 1.5198952E-06 -2.3430709E-05 -4.8468238E-03 -3.4302062E-03 40 -4.3664662E-07 3.7639262E-06 -2.9256676E-04 1.1067043E-04 41 1.0660606E-07 -9.0814158E-07 -6.5262480E-06 2.4695115E-03 42 -1.6841685E-08 1.6065200E-07 7.9854449E-07 9.2017387E-04 2P- 3P- 4P- -5.1425708E+01 -6.0810087E+00 -3.3582702E-01 ------------ ------------ ------------ 1 -9.3047223E-05 -3.6462489E-05 8.0702750E-06 2 -1.9287241E-04 -7.5580008E-05 1.6737411E-05 3 -7.2075171E-04 -2.8318831E-04 6.2666232E-05 4 -2.6369731E-03 -1.0373849E-03 2.2993084E-04 5 -1.0498109E-02 -4.1653246E-03 9.2253653E-04 6 -3.7488598E-02 -1.5052784E-02 3.3447399E-03 7 -1.1153035E-01 -4.6248758E-02 1.0294402E-02 8 -2.4760388E-01 -1.0708611E-01 2.4016752E-02 9 -3.7292972E-01 -1.7188286E-01 3.8738816E-02 10 -3.0516093E-01 -1.1849912E-01 2.6087070E-02 11 -9.4914965E-02 1.6450280E-01 -4.6817205E-02 12 -8.8380613E-03 4.4780857E-01 -1.2168249E-01 13 -8.2321635E-04 4.1829820E-01 -1.3563022E-01 14 -2.1396425E-04 1.2452588E-01 8.2924260E-03 15 3.2989836E-05 4.4361503E-03 3.2854740E-01 16 -9.3970696E-06 1.5526656E-03 5.3846714E-01 17 6.0523133E-06 -9.3586638E-05 2.7352660E-01 18 -2.0386874E-05 -8.0131551E-06 1.7717798E-06 19 -7.0415466E-05 -2.7586149E-05 6.1159870E-06 20 -2.5523863E-04 -1.0048271E-04 2.2225095E-05 21 -8.2675327E-04 -3.2528349E-04 7.2120485E-05 22 -2.3707616E-03 -9.4101435E-04 2.0839880E-04 23 -5.7695862E-03 -2.3166766E-03 5.1479456E-04 24 -1.1570336E-02 -4.7988322E-03 1.0681552E-03 25 -1.7552904E-02 -7.5939346E-03 1.7032139E-03 26 -1.8330605E-02 -8.4547009E-03 1.9056375E-03 27 -1.0507171E-02 -4.0871568E-03 9.0003994E-04 28 -2.2766444E-03 4.0115987E-03 -1.1410594E-03 29 -1.2935908E-04 7.6652703E-03 -2.0825470E-03 30 4.5219949E-06 4.9739586E-03 -1.6125531E-03 31 5.9788450E-06 1.0089458E-03 6.6813695E-05 32 5.5134753E-06 2.4244404E-05 1.7611935E-03 33 2.0027637E-06 5.4809165E-06 1.8427701E-03 34 2.2069304E-06 -9.9300254E-09 5.7105099E-04 2P+ 3P+ 4P+ -5.0067930E+01 -5.8850553E+00 -3.2538537E-01 ------------ ------------ ------------ 1 4.6932750E-06 1.8476604E-06 4.0650050E-07 2 3.7105111E-05 1.4539692E-05 3.2106162E-06 3 2.7733449E-04 1.0924721E-04 2.4054032E-05 4 1.6862818E-03 6.6360021E-04 1.4648942E-04 5 8.4021582E-03 3.3352186E-03 7.3533928E-04 6 3.3423899E-02 1.3417995E-02 2.9682189E-03 7 1.0472773E-01 4.3402258E-02 9.6169557E-03 8 2.4027703E-01 1.0383007E-01 2.3176754E-02 9 3.7197716E-01 1.7153186E-01 3.8487966E-02 10 3.1425759E-01 1.2682592E-01 2.7980068E-02 11 1.0229065E-01 -1.4994247E-01 -4.2646213E-02 12 9.9990132E-03 -4.4080578E-01 -1.1882451E-01 13 9.1312509E-04 -4.2848541E-01 -1.3773237E-01 14 2.1442571E-04 -1.3496876E-01 -1.9940816E-03 15 -2.7046868E-05 -5.4181092E-03 3.1621745E-01 16 6.7369935E-06 -1.6853112E-03 5.3811119E-01 17 -5.6074194E-06 9.2772243E-05 2.9167004E-01 18 8.8792394E-06 3.4952947E-06 7.6828214E-07 19 4.3212604E-05 1.6899124E-05 3.7322185E-06 20 1.8962161E-04 7.4588698E-05 1.6417727E-05 21 6.8894393E-04 2.7065617E-04 5.9739286E-05 22 2.1140724E-03 8.3790264E-04 1.8470109E-04 23 5.3612558E-03 2.1491183E-03 4.7533744E-04 24 1.1064540E-02 4.5795217E-03 1.0145636E-03 25 1.7183630E-02 7.4172396E-03 1.6554676E-03 26 1.8387951E-02 8.4715401E-03 1.9006465E-03 27 1.0884254E-02 4.3908491E-03 9.6874983E-04 28 2.4952767E-03 -3.6508298E-03 -1.0382699E-03 29 1.7134458E-04 -7.5431987E-03 -2.0331462E-03 30 1.0830796E-05 -5.0937188E-03 -1.6371496E-03 31 1.7513558E-06 -1.0928818E-03 -1.6196443E-05 32 -1.5177792E-07 -2.9048606E-05 1.6953247E-03 33 2.5720860E-08 -5.7694570E-06 1.8416418E-03 34 -1.2490520E-08 1.9409635E-07 6.0903581E-04 3D- -2.0996609E+00 ------------ 1 3.2499396E-04 2 2.6005790E-03 3 1.5249869E-02 4 5.5678070E-02 5 1.4244090E-01 6 2.5339169E-01 7 3.2091362E-01 8 3.0773389E-01 9 1.7772137E-01 10 3.9666905E-02 11 7.3387307E-05 12 3.6893459E-04 13 1.3549232E-03 14 3.2541734E-03 15 5.6845800E-03 16 7.0763100E-03 17 6.3147133E-03 18 4.2218818E-03 19 1.6517057E-03 20 2.3804081E-04 3D+ -2.0702115E+00 ------------ 1 -2.7025279E-04 2 -2.4326820E-03 3 -1.4719309E-02 4 -5.4610080E-02 5 -1.4064739E-01 6 -2.5144848E-01 7 -3.2014032E-01 8 -3.0939426E-01 9 -1.8080392E-01 10 -4.1178483E-02 11 -6.8628178E-05 12 -3.5488841E-04 13 -1.3222512E-03 14 -3.2039573E-03 15 -5.6241482E-03 16 -7.0290860E-03 17 -6.3034545E-03 18 -4.2465037E-03 19 -1.6811265E-03 20 -2.4753611E-04 ******************** SELENIUM SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.3505498077E+08 0.1000000000E+01 0.1000000000E+01 2 0.6911812576E+07 0.1000000000E+01 0.1000000000E+01 3 0.1562750843E+07 0.1000000000E+01 0.1000000000E+01 4 0.4005891628E+06 0.1000000000E+01 0.1000000000E+01 5 0.1151002888E+06 0.1000000000E+01 0.1000000000E+01 6 0.3665029629E+05 0.1000000000E+01 0.1000000000E+01 7 0.1278670139E+05 0.1000000000E+01 0.1000000000E+01 8 0.4832541699E+04 0.1000000000E+01 0.1000000000E+01 9 0.1956072050E+04 0.1000000000E+01 0.1000000000E+01 10 0.8383827473E+03 0.1000000000E+01 0.1000000000E+01 11 0.3761873280E+03 0.1000000000E+01 0.1000000000E+01 12 0.1747134876E+03 0.1000000000E+01 0.1000000000E+01 13 0.8303577479E+02 0.1000000000E+01 0.1000000000E+01 14 0.3992792004E+02 0.1000000000E+01 0.1000000000E+01 15 0.1920511288E+02 0.1000000000E+01 0.1000000000E+01 16 0.9135700861E+01 0.1000000000E+01 0.1000000000E+01 17 0.4249206169E+01 0.1000000000E+01 0.1000000000E+01 18 0.1910604337E+01 0.1000000000E+01 0.1000000000E+01 19 0.8210825748E+00 0.1000000000E+01 0.1000000000E+01 20 0.3334357248E+00 0.1000000000E+01 0.1000000000E+01 21 0.1265035568E+00 0.1000000000E+01 0.1000000000E+01 P- 1 0.1684153265E+06 0.1000000000E+01 0.1000000000E+01 2 0.3914202578E+05 0.1000000000E+01 0.1000000000E+01 3 0.1061710502E+05 0.1000000000E+01 0.1000000000E+01 4 0.3302907986E+04 0.1000000000E+01 0.1000000000E+01 5 0.1158085983E+04 0.1000000000E+01 0.1000000000E+01 6 0.4497441502E+03 0.1000000000E+01 0.1000000000E+01 7 0.1901065366E+03 0.1000000000E+01 0.1000000000E+01 8 0.8595315161E+02 0.1000000000E+01 0.1000000000E+01 9 0.4084944968E+02 0.1000000000E+01 0.1000000000E+01 10 0.2005380023E+02 0.1000000000E+01 0.1000000000E+01 11 0.9993546744E+01 0.1000000000E+01 0.1000000000E+01 12 0.4967999257E+01 0.1000000000E+01 0.1000000000E+01 13 0.2421077695E+01 0.1000000000E+01 0.1000000000E+01 14 0.1136652422E+01 0.1000000000E+01 0.1000000000E+01 15 0.5052017053E+00 0.1000000000E+01 0.1000000000E+01 16 0.2089038891E+00 0.1000000000E+01 0.1000000000E+01 17 0.7897674934E-01 0.1000000000E+01 0.1000000000E+01 P+ 1 0.1684153265E+06 0.1000000000E+01 0.1000000000E+01 2 0.3914202578E+05 0.1000000000E+01 0.1000000000E+01 3 0.1061710502E+05 0.1000000000E+01 0.1000000000E+01 4 0.3302907986E+04 0.1000000000E+01 0.1000000000E+01 5 0.1158085983E+04 0.1000000000E+01 0.1000000000E+01 6 0.4497441502E+03 0.1000000000E+01 0.1000000000E+01 7 0.1901065366E+03 0.1000000000E+01 0.1000000000E+01 8 0.8595315161E+02 0.1000000000E+01 0.1000000000E+01 9 0.4084944968E+02 0.1000000000E+01 0.1000000000E+01 10 0.2005380023E+02 0.1000000000E+01 0.1000000000E+01 11 0.9993546744E+01 0.1000000000E+01 0.1000000000E+01 12 0.4967999257E+01 0.1000000000E+01 0.1000000000E+01 13 0.2421077695E+01 0.1000000000E+01 0.1000000000E+01 14 0.1136652422E+01 0.1000000000E+01 0.1000000000E+01 15 0.5052017053E+00 0.1000000000E+01 0.1000000000E+01 16 0.2089038891E+00 0.1000000000E+01 0.1000000000E+01 17 0.7897674934E-01 0.1000000000E+01 0.1000000000E+01 D- 1 0.8613526999E+03 0.1000000000E+01 0.1000000000E+01 2 0.2644945669E+03 0.1000000000E+01 0.1000000000E+01 3 0.9708763909E+02 0.1000000000E+01 0.1000000000E+01 4 0.4092748054E+02 0.1000000000E+01 0.1000000000E+01 5 0.1903541733E+02 0.1000000000E+01 0.1000000000E+01 6 0.9384228044E+01 0.1000000000E+01 0.1000000000E+01 7 0.4711030303E+01 0.1000000000E+01 0.1000000000E+01 8 0.2313699078E+01 0.1000000000E+01 0.1000000000E+01 9 0.1067981960E+01 0.1000000000E+01 0.1000000000E+01 10 0.4451224144E+00 0.1000000000E+01 0.1000000000E+01 D+ 1 0.8613526999E+03 0.1000000000E+01 0.1000000000E+01 2 0.2644945669E+03 0.1000000000E+01 0.1000000000E+01 3 0.9708763909E+02 0.1000000000E+01 0.1000000000E+01 4 0.4092748054E+02 0.1000000000E+01 0.1000000000E+01 5 0.1903541733E+02 0.1000000000E+01 0.1000000000E+01 6 0.9384228044E+01 0.1000000000E+01 0.1000000000E+01 7 0.4711030303E+01 0.1000000000E+01 0.1000000000E+01 8 0.2313699078E+01 0.1000000000E+01 0.1000000000E+01 9 0.1067981960E+01 0.1000000000E+01 0.1000000000E+01 10 0.4451224144E+00 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 4 2 2 1 1 OPEN SHELLS 0 1 1 0 0 NUMBER OF OPEN SHELL CONFG 3 CONF OPEN SHELL OCCUPATION NUMBERS 1 0.0 2.0 2.0 0.0 0.0 2 0.0 1.0 3.0 0.0 0.0 3 0.0 0.0 4.0 0.0 0.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -4.6836720E+02 -6.2369803E+01 -9.2219219E+00 -8.6256676E-01 ------------ ------------ ------------ ------------ 1 1.2530892E-05 -4.0319213E-06 1.5921963E-06 -4.6760624E-07 2 3.7115874E-05 -1.1963261E-05 4.7249464E-06 -1.3883212E-06 3 1.3099774E-04 -4.2340224E-05 1.6730241E-05 -4.9128910E-06 4 4.2452287E-04 -1.3758884E-04 5.4377059E-05 -1.5983026E-05 5 1.3895452E-03 -4.5222352E-04 1.7885783E-04 -5.2511176E-05 6 4.3889981E-03 -1.4334650E-03 5.6704008E-04 -1.6676251E-04 7 1.3177987E-02 -4.3430671E-03 1.7206465E-03 -5.0503707E-04 8 3.6598110E-02 -1.2249522E-02 4.8604311E-03 -1.4309695E-03 9 9.1416710E-02 -3.1846038E-02 1.2710068E-02 -3.7316259E-03 10 1.9463364E-01 -7.3395280E-02 2.9576833E-02 -8.7379077E-03 11 3.1992289E-01 -1.4344264E-01 5.9262301E-02 -1.7455726E-02 12 3.2833987E-01 -1.9831968E-01 8.5463711E-02 -2.5615804E-02 13 1.4317049E-01 -9.0868669E-02 4.2169277E-02 -1.2262674E-02 14 1.2543487E-02 3.3032328E-01 -1.9008000E-01 5.8104048E-02 15 1.3145671E-03 6.0788936E-01 -5.0039861E-01 1.6684968E-01 16 -5.9124916E-04 2.3303984E-01 -1.9151563E-01 5.8736305E-02 17 2.8329612E-04 1.0664587E-02 6.3672840E-01 -2.5651807E-01 18 -1.8633957E-04 3.1034409E-03 6.1664393E-01 -4.6189701E-01 19 8.3055558E-05 -8.3154907E-04 6.2333315E-02 3.4129998E-02 20 -3.2042173E-05 3.0708042E-04 2.0229445E-03 7.5067760E-01 21 8.5118325E-06 -9.2067172E-05 -2.6924496E-04 4.2663334E-01 22 3.7246183E-05 -1.1969675E-05 4.7264515E-06 -1.3873970E-06 23 1.2460903E-04 -4.0016774E-05 1.5796225E-05 -4.6430621E-06 24 3.4982857E-04 -1.1245361E-04 4.4406845E-05 -1.3033711E-05 25 8.7372359E-04 -2.8071602E-04 1.1081393E-04 -3.2576715E-05 26 1.9991252E-03 -6.4361177E-04 2.5421517E-04 -7.4601299E-05 27 4.2253603E-03 -1.3624868E-03 5.3807517E-04 -1.5823662E-04 28 8.2930995E-03 -2.6966373E-03 1.0665718E-03 -3.1293314E-04 29 1.5043983E-02 -4.9666826E-03 1.9672949E-03 -5.7910805E-04 30 2.4769337E-02 -8.5158142E-03 3.3932328E-03 -9.9592750E-04 31 3.5241976E-02 -1.3125419E-02 5.2813355E-03 -1.5600057E-03 32 3.9258293E-02 -1.7401952E-02 7.1800218E-03 -2.1143991E-03 33 2.7633722E-02 -1.6523467E-02 7.1138660E-03 -2.1319600E-03 34 8.3312173E-03 -5.2683902E-03 2.4463964E-03 -7.1166327E-04 35 5.0666680E-04 1.3167228E-02 -7.5634067E-03 2.3112748E-03 36 3.6640840E-05 1.6849423E-02 -1.3851882E-02 4.6180666E-03 37 -1.1371231E-05 4.4579995E-03 -3.6625092E-03 1.1236442E-03 38 3.7063455E-06 1.3901848E-04 8.2944797E-03 -3.3408743E-03 39 -1.6291822E-06 2.7177481E-05 5.3874957E-03 -4.0347544E-03 40 4.7313291E-07 -4.7843852E-06 3.5706672E-04 1.9532905E-04 41 -1.1494132E-07 1.1281864E-06 7.3705037E-06 2.7394264E-03 42 1.8382311E-08 -2.0884837E-07 -6.0186565E-07 9.5897602E-04 2P- 3P- 4P- -5.5712537E+01 -6.8814292E+00 -4.0133336E-01 ------------ ------------ ------------ 1 -8.7742841E-05 3.4872814E-05 -8.4402706E-06 2 -1.8705642E-04 7.4348909E-05 -1.8003891E-05 3 -6.8050366E-04 2.7112701E-04 -6.5608638E-05 4 -2.4616683E-03 9.8216706E-04 -2.3805410E-04 5 -9.7931738E-03 3.9391569E-03 -9.5402785E-04 6 -3.5336517E-02 1.4380317E-02 -3.4944861E-03 7 -1.0654969E-01 4.4741205E-02 -1.0891360E-02 8 -2.4034615E-01 1.0527113E-01 -2.5830955E-02 9 -3.6904608E-01 1.7219209E-01 -4.2467427E-02 10 -3.1300554E-01 1.2756893E-01 -3.0932645E-02 11 -1.0428031E-01 -1.4678435E-01 4.6806083E-02 12 -1.0530942E-02 -4.4065418E-01 1.3222782E-01 13 -9.0244831E-04 -4.3057713E-01 1.5493659E-01 14 -2.0405513E-04 -1.3322637E-01 -1.0720126E-02 15 3.1252886E-05 -5.2979889E-03 -3.5551696E-01 16 -4.2884822E-06 -1.7354307E-03 -5.3194231E-01 17 6.4020856E-06 3.7637001E-05 -2.5265948E-01 18 -1.8929558E-05 7.5450310E-06 -1.8242080E-06 19 -6.6419929E-05 2.6397787E-05 -6.4002690E-06 20 -2.4304072E-04 9.7033564E-05 -2.3468352E-05 21 -7.9843445E-04 3.1863350E-04 -7.7258672E-05 22 -2.3238283E-03 9.3513865E-04 -2.2646058E-04 23 -5.7349760E-03 2.3339269E-03 -5.6719200E-04 24 -1.1655032E-02 4.8950034E-03 -1.1915816E-03 25 -1.7952314E-02 7.8657628E-03 -1.9301714E-03 26 -1.9116790E-02 8.9263443E-03 -2.2016401E-03 27 -1.1374284E-02 4.6440552E-03 -1.1264411E-03 28 -2.6489364E-03 -3.7893910E-03 1.2074971E-03 29 -1.6658806E-04 -8.0151852E-03 2.4046790E-03 30 4.9255040E-06 -5.4680704E-03 1.9673020E-03 31 7.0701894E-06 -1.1597370E-03 -9.2817162E-05 32 6.4577217E-06 -3.1255211E-05 -2.0612956E-03 33 2.3149066E-06 -6.6617333E-06 -1.9835044E-03 34 2.6783796E-06 -1.3556768E-07 -5.7917060E-04 2P+ 3P+ 4P+ -5.4162759E+01 -6.6527960E+00 -3.8626637E-01 ------------ ------------ ------------ 1 3.7598815E-06 -1.5017270E-06 -3.6088411E-07 2 3.0872497E-05 -1.2278068E-05 -2.9622435E-06 3 2.3813144E-04 -9.5171451E-05 -2.2890434E-05 4 1.4935699E-03 -5.9640646E-04 -1.4383946E-04 5 7.6487756E-03 -3.0793283E-03 -7.4166244E-04 6 3.1128620E-02 -1.2670321E-02 -3.0622413E-03 7 9.9422773E-02 -4.1738615E-02 -1.0104254E-02 8 2.3242669E-01 -1.0175043E-01 -2.4824418E-02 9 3.6750401E-01 -1.7159439E-01 -4.2090138E-02 10 3.2227598E-01 -1.3603523E-01 -3.2995896E-02 11 1.1251904E-01 1.3128849E-01 4.1938550E-02 12 1.1999573E-02 4.3248291E-01 1.2858440E-01 13 1.0026226E-03 4.4096720E-01 1.5707643E-01 14 2.0677144E-04 1.4461778E-01 1.4962755E-03 15 -2.6008016E-05 6.4808444E-03 -3.4186310E-01 16 1.6130132E-06 1.8831680E-03 -5.3258630E-01 17 -6.1559423E-06 -2.4650008E-05 -2.7247966E-01 18 7.5696799E-06 -3.0232683E-06 -7.2571896E-07 19 3.8616231E-05 -1.5325622E-05 -3.6983011E-06 20 1.7497641E-04 -6.9824134E-05 -1.6787796E-05 21 6.5310089E-04 -2.6031638E-04 -6.2773067E-05 22 2.0493700E-03 -8.2370405E-04 -1.9834497E-04 23 5.2927137E-03 -2.1508917E-03 -5.1975014E-04 24 1.1097539E-02 -4.6522928E-03 -1.1260490E-03 25 1.7529731E-02 -7.6647875E-03 -1.8697536E-03 26 1.9154061E-02 -8.9344349E-03 -2.1912731E-03 27 1.1783679E-02 -4.9715337E-03 -1.2059082E-03 28 2.9054833E-03 3.3827745E-03 1.0805026E-03 29 2.1850910E-04 7.8639769E-03 2.3378072E-03 30 1.2707142E-05 5.5984603E-03 1.9939794E-03 31 1.8138227E-06 1.2581278E-03 1.3091393E-05 32 -1.5760547E-07 3.7582623E-05 -1.9824334E-03 33 8.6860005E-09 7.0247708E-06 -1.9860224E-03 34 -1.4895100E-08 -5.7100007E-08 -6.2475102E-04 3D- -2.6200565E+00 ------------ 1 2.9295647E-04 2 2.5019706E-03 3 1.5104010E-02 4 5.5691441E-02 5 1.4167325E-01 6 2.5174791E-01 7 3.2163787E-01 8 3.1028887E-01 9 1.7216257E-01 10 3.4142143E-02 11 7.0144538E-05 12 3.7510441E-04 13 1.4106256E-03 14 3.4156613E-03 15 5.9475877E-03 16 7.4336608E-03 17 6.7336561E-03 18 4.5539362E-03 19 1.7166724E-03 20 2.1939752E-04 3D+ -2.5844404E+00 ------------ 1 -2.3810515E-04 2 -2.3233401E-03 3 -1.4539411E-02 4 -5.4556873E-02 5 -1.3981746E-01 6 -2.4977827E-01 7 -3.2090555E-01 8 -3.1210821E-01 9 -1.7528689E-01 10 -3.5442594E-02 11 -6.5160221E-05 12 -3.5966592E-04 13 -1.3744236E-03 14 -3.3602884E-03 15 -5.8824294E-03 16 -7.3837391E-03 17 -6.7229883E-03 18 -4.5829095E-03 19 -1.7487756E-03 20 -2.2828463E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -4.6836721E+02 -6.2369804E+01 -9.2219220E+00 -8.6256677E-01 ------------ ------------ ------------ ------------ 1 -1.2553557E-05 -4.0392221E-06 -1.5950795E-06 -4.6845343E-07 2 -3.7105574E-05 -1.1959935E-05 -4.7236323E-06 -1.3879349E-06 3 -1.3100403E-04 -4.2342265E-05 -1.6731048E-05 -4.9131283E-06 4 -4.2452091E-04 -1.3758820E-04 -5.4376804E-05 -1.5982951E-05 5 -1.3895480E-03 -4.5222446E-04 -1.7885820E-04 -5.2511285E-05 6 -4.3889983E-03 -1.4334650E-03 -5.6704010E-04 -1.6676251E-04 7 -1.3177990E-02 -4.3430681E-03 -1.7206469E-03 -5.0503719E-04 8 -3.6598112E-02 -1.2249523E-02 -4.8604314E-03 -1.4309696E-03 9 -9.1416716E-02 -3.1846040E-02 -1.2710069E-02 -3.7316262E-03 10 -1.9463365E-01 -7.3395281E-02 -2.9576834E-02 -8.7379079E-03 11 -3.1992289E-01 -1.4344264E-01 -5.9262302E-02 -1.7455726E-02 12 -3.2833987E-01 -1.9831967E-01 -8.5463710E-02 -2.5615804E-02 13 -1.4317048E-01 -9.0868661E-02 -4.2169271E-02 -1.2262672E-02 14 -1.2543486E-02 3.3032330E-01 1.9008000E-01 5.8104051E-02 15 -1.3145672E-03 6.0788935E-01 5.0039861E-01 1.6684969E-01 16 5.9124925E-04 2.3303984E-01 1.9151561E-01 5.8736299E-02 17 -2.8329619E-04 1.0664585E-02 -6.3672841E-01 -2.5651808E-01 18 1.8633960E-04 3.1034412E-03 -6.1664392E-01 -4.6189701E-01 19 -8.3055588E-05 -8.3154899E-04 -6.2333310E-02 3.4130019E-02 20 3.2042188E-05 3.0708035E-04 -2.0229447E-03 7.5067760E-01 21 -8.5118599E-06 -9.2066835E-05 2.6924347E-04 4.2663332E-01 22 -3.7659859E-05 -1.2102566E-05 -4.7789179E-06 -1.4028078E-06 23 -1.2443743E-04 -3.9961654E-05 -1.5774464E-05 -4.6366703E-06 24 -3.4991225E-04 -1.1248049E-04 -4.4417458E-05 -1.3036829E-05 25 -8.7368535E-04 -2.8070374E-04 -1.1080908E-04 -3.2575291E-05 26 -1.9991500E-03 -6.4361975E-04 -2.5421832E-04 -7.4602225E-05 27 -4.2253475E-03 -1.3624827E-03 -5.3807354E-04 -1.5823615E-04 28 -8.2931105E-03 -2.6966408E-03 -1.0665732E-03 -3.1293355E-04 29 -1.5043977E-02 -4.9666807E-03 -1.9672942E-03 -5.7910784E-04 30 -2.4769343E-02 -8.5158163E-03 -3.3932336E-03 -9.9592775E-04 31 -3.5241973E-02 -1.3125418E-02 -5.2813352E-03 -1.5600055E-03 32 -3.9258297E-02 -1.7401953E-02 -7.1800222E-03 -2.1143992E-03 33 -2.7633719E-02 -1.6523466E-02 -7.1138656E-03 -2.1319599E-03 34 -8.3312185E-03 -5.2683903E-03 -2.4463963E-03 -7.1166327E-04 35 -5.0666560E-04 1.3167229E-02 7.5634071E-03 2.3112749E-03 36 -3.6641566E-05 1.6849422E-02 1.3851882E-02 4.6180666E-03 37 1.1371666E-05 4.4579995E-03 3.6625089E-03 1.1236441E-03 38 -3.7065883E-06 1.3901838E-04 -8.2944798E-03 -3.3408744E-03 39 1.6293078E-06 2.7177521E-05 -5.3874955E-03 -4.0347544E-03 40 -4.7319291E-07 -4.7844011E-06 -3.5706670E-04 1.9532916E-04 41 1.1496607E-07 1.1281926E-06 -7.3705004E-06 2.7394264E-03 42 -1.8389196E-08 -2.0884981E-07 6.0186143E-07 9.5897599E-04 2P- 3P- 4P- -5.5712537E+01 -6.8814292E+00 -4.0133336E-01 ------------ ------------ ------------ 1 -8.7742879E-05 3.4872829E-05 -8.4402743E-06 2 -1.8705638E-04 7.4348894E-05 -1.8003888E-05 3 -6.8050370E-04 2.7112702E-04 -6.5608641E-05 4 -2.4616682E-03 9.8216704E-04 -2.3805410E-04 5 -9.7931738E-03 3.9391570E-03 -9.5402785E-04 6 -3.5336517E-02 1.4380317E-02 -3.4944861E-03 7 -1.0654969E-01 4.4741205E-02 -1.0891360E-02 8 -2.4034615E-01 1.0527113E-01 -2.5830955E-02 9 -3.6904608E-01 1.7219209E-01 -4.2467427E-02 10 -3.1300554E-01 1.2756893E-01 -3.0932645E-02 11 -1.0428031E-01 -1.4678435E-01 4.6806083E-02 12 -1.0530942E-02 -4.4065418E-01 1.3222782E-01 13 -9.0244822E-04 -4.3057713E-01 1.5493659E-01 14 -2.0405529E-04 -1.3322637E-01 -1.0720127E-02 15 3.1253026E-05 -5.2979879E-03 -3.5551695E-01 16 -4.2885612E-06 -1.7354314E-03 -5.3194231E-01 17 6.4021288E-06 3.7637421E-05 -2.5265948E-01 18 -1.8929554E-05 7.5450296E-06 -1.8242076E-06 19 -6.6419929E-05 2.6397787E-05 -6.4002691E-06 20 -2.4304072E-04 9.7033564E-05 -2.3468352E-05 21 -7.9843445E-04 3.1863350E-04 -7.7258672E-05 22 -2.3238283E-03 9.3513865E-04 -2.2646058E-04 23 -5.7349760E-03 2.3339269E-03 -5.6719200E-04 24 -1.1655032E-02 4.8950034E-03 -1.1915816E-03 25 -1.7952314E-02 7.8657628E-03 -1.9301714E-03 26 -1.9116790E-02 8.9263443E-03 -2.2016401E-03 27 -1.1374284E-02 4.6440552E-03 -1.1264411E-03 28 -2.6489364E-03 -3.7893910E-03 1.2074971E-03 29 -1.6658806E-04 -8.0151852E-03 2.4046790E-03 30 4.9255057E-06 -5.4680704E-03 1.9673020E-03 31 7.0701876E-06 -1.1597371E-03 -9.2817166E-05 32 6.4577226E-06 -3.1255206E-05 -2.0612956E-03 33 2.3149062E-06 -6.6617361E-06 -1.9835044E-03 34 2.6783797E-06 -1.3556671E-07 -5.7917060E-04 2P+ 3P+ 4P+ -5.4162759E+01 -6.6527960E+00 -3.8626637E-01 ------------ ------------ ------------ 1 3.7598803E-06 -1.5017265E-06 -3.6088399E-07 2 3.0872497E-05 -1.2278068E-05 -2.9622436E-06 3 2.3813144E-04 -9.5171450E-05 -2.2890434E-05 4 1.4935699E-03 -5.9640646E-04 -1.4383946E-04 5 7.6487756E-03 -3.0793283E-03 -7.4166244E-04 6 3.1128620E-02 -1.2670321E-02 -3.0622413E-03 7 9.9422773E-02 -4.1738615E-02 -1.0104254E-02 8 2.3242669E-01 -1.0175043E-01 -2.4824418E-02 9 3.6750401E-01 -1.7159439E-01 -4.2090138E-02 10 3.2227598E-01 -1.3603523E-01 -3.2995896E-02 11 1.1251904E-01 1.3128849E-01 4.1938550E-02 12 1.1999573E-02 4.3248291E-01 1.2858439E-01 13 1.0026225E-03 4.4096720E-01 1.5707643E-01 14 2.0677154E-04 1.4461779E-01 1.4962721E-03 15 -2.6008151E-05 6.4808432E-03 -3.4186309E-01 16 1.6131018E-06 1.8831687E-03 -5.3258631E-01 17 -6.1559906E-06 -2.4650434E-05 -2.7247966E-01 18 7.5696768E-06 -3.0232670E-06 -7.2571864E-07 19 3.8616232E-05 -1.5325622E-05 -3.6983011E-06 20 1.7497641E-04 -6.9824134E-05 -1.6787796E-05 21 6.5310089E-04 -2.6031638E-04 -6.2773067E-05 22 2.0493700E-03 -8.2370405E-04 -1.9834496E-04 23 5.2927137E-03 -2.1508917E-03 -5.1975013E-04 24 1.1097539E-02 -4.6522928E-03 -1.1260490E-03 25 1.7529731E-02 -7.6647874E-03 -1.8697536E-03 26 1.9154061E-02 -8.9344349E-03 -2.1912731E-03 27 1.1783679E-02 -4.9715337E-03 -1.2059082E-03 28 2.9054833E-03 3.3827745E-03 1.0805026E-03 29 2.1850911E-04 7.8639770E-03 2.3378072E-03 30 1.2707141E-05 5.5984603E-03 1.9939794E-03 31 1.8138237E-06 1.2581278E-03 1.3091364E-05 32 -1.5760636E-07 3.7582615E-05 -1.9824333E-03 33 8.6864496E-09 7.0247738E-06 -1.9860224E-03 34 -1.4895267E-08 -5.7101049E-08 -6.2475102E-04 3D- -2.6200565E+00 ------------ 1 2.9295647E-04 2 2.5019706E-03 3 1.5104010E-02 4 5.5691441E-02 5 1.4167325E-01 6 2.5174791E-01 7 3.2163787E-01 8 3.1028887E-01 9 1.7216257E-01 10 3.4142143E-02 11 7.0144537E-05 12 3.7510441E-04 13 1.4106256E-03 14 3.4156613E-03 15 5.9475877E-03 16 7.4336608E-03 17 6.7336561E-03 18 4.5539363E-03 19 1.7166724E-03 20 2.1939752E-04 3D+ -2.5844404E+00 ------------ 1 -2.3810514E-04 2 -2.3233401E-03 3 -1.4539411E-02 4 -5.4556872E-02 5 -1.3981746E-01 6 -2.4977827E-01 7 -3.2090554E-01 8 -3.1210821E-01 9 -1.7528689E-01 10 -3.5442594E-02 11 -6.5160221E-05 12 -3.5966592E-04 13 -1.3744236E-03 14 -3.3602884E-03 15 -5.8824294E-03 16 -7.3837391E-03 17 -6.7229883E-03 18 -4.5829095E-03 19 -1.7487756E-03 20 -2.2828463E-04 ******************** BROMINE SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.4007715215E+08 0.1000000000E+01 0.1000000000E+01 2 0.7793199815E+07 0.1000000000E+01 0.1000000000E+01 3 0.1742240559E+07 0.1000000000E+01 0.1000000000E+01 4 0.4426433146E+06 0.1000000000E+01 0.1000000000E+01 5 0.1263378002E+06 0.1000000000E+01 0.1000000000E+01 6 0.4004298600E+05 0.1000000000E+01 0.1000000000E+01 7 0.1393200026E+05 0.1000000000E+01 0.1000000000E+01 8 0.5259863784E+04 0.1000000000E+01 0.1000000000E+01 9 0.2130049307E+04 0.1000000000E+01 0.1000000000E+01 10 0.9146166077E+03 0.1000000000E+01 0.1000000000E+01 11 0.4116261029E+03 0.1000000000E+01 0.1000000000E+01 12 0.1919381305E+03 0.1000000000E+01 0.1000000000E+01 13 0.9166304357E+02 0.1000000000E+01 0.1000000000E+01 14 0.4431819634E+02 0.1000000000E+01 0.1000000000E+01 15 0.2144395083E+02 0.1000000000E+01 0.1000000000E+01 16 0.1026461302E+02 0.1000000000E+01 0.1000000000E+01 17 0.4804802525E+01 0.1000000000E+01 0.1000000000E+01 18 0.2174121545E+01 0.1000000000E+01 0.1000000000E+01 19 0.9400426156E+00 0.1000000000E+01 0.1000000000E+01 20 0.3839253963E+00 0.1000000000E+01 0.1000000000E+01 21 0.1464070021E+00 0.1000000000E+01 0.1000000000E+01 P- 1 0.2089306875E+06 0.1000000000E+01 0.1000000000E+01 2 0.4723830957E+05 0.1000000000E+01 0.1000000000E+01 3 0.1253377572E+05 0.1000000000E+01 0.1000000000E+01 4 0.3833150596E+04 0.1000000000E+01 0.1000000000E+01 5 0.1327110763E+04 0.1000000000E+01 0.1000000000E+01 6 0.5108891993E+03 0.1000000000E+01 0.1000000000E+01 7 0.2147857514E+03 0.1000000000E+01 0.1000000000E+01 8 0.9685774280E+02 0.1000000000E+01 0.1000000000E+01 9 0.4601551487E+02 0.1000000000E+01 0.1000000000E+01 10 0.2262070976E+02 0.1000000000E+01 0.1000000000E+01 11 0.1130137027E+02 0.1000000000E+01 0.1000000000E+01 12 0.5635985280E+01 0.1000000000E+01 0.1000000000E+01 13 0.2755582389E+01 0.1000000000E+01 0.1000000000E+01 14 0.1297336658E+01 0.1000000000E+01 0.1000000000E+01 15 0.5776684554E+00 0.1000000000E+01 0.1000000000E+01 16 0.2389363495E+00 0.1000000000E+01 0.1000000000E+01 17 0.9016839494E-01 0.1000000000E+01 0.1000000000E+01 P+ 1 0.2089306875E+06 0.1000000000E+01 0.1000000000E+01 2 0.4723830957E+05 0.1000000000E+01 0.1000000000E+01 3 0.1253377572E+05 0.1000000000E+01 0.1000000000E+01 4 0.3833150596E+04 0.1000000000E+01 0.1000000000E+01 5 0.1327110763E+04 0.1000000000E+01 0.1000000000E+01 6 0.5108891993E+03 0.1000000000E+01 0.1000000000E+01 7 0.2147857514E+03 0.1000000000E+01 0.1000000000E+01 8 0.9685774280E+02 0.1000000000E+01 0.1000000000E+01 9 0.4601551487E+02 0.1000000000E+01 0.1000000000E+01 10 0.2262070976E+02 0.1000000000E+01 0.1000000000E+01 11 0.1130137027E+02 0.1000000000E+01 0.1000000000E+01 12 0.5635985280E+01 0.1000000000E+01 0.1000000000E+01 13 0.2755582389E+01 0.1000000000E+01 0.1000000000E+01 14 0.1297336658E+01 0.1000000000E+01 0.1000000000E+01 15 0.5776684554E+00 0.1000000000E+01 0.1000000000E+01 16 0.2389363495E+00 0.1000000000E+01 0.1000000000E+01 17 0.9016839494E-01 0.1000000000E+01 0.1000000000E+01 D- 1 0.9492329793E+03 0.1000000000E+01 0.1000000000E+01 2 0.2832269677E+03 0.1000000000E+01 0.1000000000E+01 3 0.1030196347E+03 0.1000000000E+01 0.1000000000E+01 4 0.4368290404E+02 0.1000000000E+01 0.1000000000E+01 5 0.2064864558E+02 0.1000000000E+01 0.1000000000E+01 6 0.1040501435E+02 0.1000000000E+01 0.1000000000E+01 7 0.5344995194E+01 0.1000000000E+01 0.1000000000E+01 8 0.2676627603E+01 0.1000000000E+01 0.1000000000E+01 9 0.1249531069E+01 0.1000000000E+01 0.1000000000E+01 10 0.5200045164E+00 0.1000000000E+01 0.1000000000E+01 D+ 1 0.9492329793E+03 0.1000000000E+01 0.1000000000E+01 2 0.2832269677E+03 0.1000000000E+01 0.1000000000E+01 3 0.1030196347E+03 0.1000000000E+01 0.1000000000E+01 4 0.4368290404E+02 0.1000000000E+01 0.1000000000E+01 5 0.2064864558E+02 0.1000000000E+01 0.1000000000E+01 6 0.1040501435E+02 0.1000000000E+01 0.1000000000E+01 7 0.5344995194E+01 0.1000000000E+01 0.1000000000E+01 8 0.2676627603E+01 0.1000000000E+01 0.1000000000E+01 9 0.1249531069E+01 0.1000000000E+01 0.1000000000E+01 10 0.5200045164E+00 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 4 2 2 1 1 OPEN SHELLS 0 1 1 0 0 NUMBER OF OPEN SHELL CONFG 2 CONF OPEN SHELL OCCUPATION NUMBERS 1 0.0 2.0 3.0 0.0 0.0 2 0.0 1.0 4.0 0.0 0.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -4.9852138E+02 -6.7124814E+01 -1.0199407E+01 -1.0208678E+00 ------------ ------------ ------------ ------------ 1 1.2326502E-05 -3.9837660E-06 1.5888696E-06 -4.8839066E-07 2 3.7777308E-05 -1.2230900E-05 4.8787434E-06 -1.5004081E-06 3 1.3196271E-04 -4.2843238E-05 1.7098168E-05 -5.2550843E-06 4 4.2545774E-04 -1.3854315E-04 5.5300713E-05 -1.7013503E-05 5 1.3812164E-03 -4.5166216E-04 1.8043270E-04 -5.5442919E-05 6 4.3353851E-03 -1.4231799E-03 5.6860810E-04 -1.7504209E-04 7 1.2946602E-02 -4.2876545E-03 1.7158836E-03 -5.2708982E-04 8 3.5799322E-02 -1.2040415E-02 4.8250810E-03 -1.4871235E-03 9 8.9120769E-02 -3.1158442E-02 1.2560958E-02 -3.8591853E-03 10 1.8967874E-01 -7.1651435E-02 2.9151961E-02 -9.0176646E-03 11 3.1382684E-01 -1.4011590E-01 5.8432311E-02 -1.8006894E-02 12 3.3008743E-01 -1.9700184E-01 8.5560273E-02 -2.6865415E-02 13 1.5274459E-01 -1.0212609E-01 4.7797170E-02 -1.4556783E-02 14 1.5436137E-02 3.0081152E-01 -1.7346364E-01 5.5283319E-02 15 1.3050471E-03 6.0888257E-01 -4.9446147E-01 1.7284370E-01 16 -5.6160214E-04 2.6056871E-01 -2.3975285E-01 7.9457766E-02 17 2.7511045E-04 1.4134772E-02 6.0704939E-01 -2.5434529E-01 18 -1.8665086E-04 3.5100784E-03 6.5274575E-01 -5.0448314E-01 19 8.3137768E-05 -1.0240973E-03 7.4147255E-02 3.3986842E-02 20 -3.1590664E-05 3.7228601E-04 1.8081321E-03 7.7244409E-01 21 8.4869749E-06 -1.1431625E-04 -6.2128464E-05 4.1450680E-01 22 3.5565789E-05 -1.1480377E-05 4.5785991E-06 -1.4065782E-06 23 1.2470995E-04 -4.0232164E-05 1.6039056E-05 -4.9346657E-06 24 3.5242849E-04 -1.1378952E-04 4.5383865E-05 -1.3940983E-05 25 8.8481283E-04 -2.8558099E-04 1.1385392E-04 -3.5034402E-05 26 2.0295716E-03 -6.5627669E-04 2.6181319E-04 -8.0408313E-05 27 4.2945218E-03 -1.3910839E-03 5.5481441E-04 -1.7078941E-04 28 8.4266757E-03 -2.7514888E-03 1.0991751E-03 -3.3749933E-04 29 1.5273563E-02 -5.0630729E-03 2.0252212E-03 -6.2408961E-04 30 2.5131046E-02 -8.6643949E-03 3.4868447E-03 -1.0709084E-03 31 3.5830155E-02 -1.3357261E-02 5.4257305E-03 -1.6780537E-03 32 4.0271936E-02 -1.7762642E-02 7.3970338E-03 -2.2789389E-03 33 2.9125357E-02 -1.7195924E-02 7.4606426E-03 -2.3422809E-03 34 9.3439428E-03 -6.2163080E-03 2.9104415E-03 -8.8665066E-04 35 6.5734777E-04 1.2626976E-02 -7.2670870E-03 2.3151711E-03 36 3.8475146E-05 1.7833143E-02 -1.4461406E-02 5.0543546E-03 37 -1.1472364E-05 5.2841245E-03 -4.8591653E-03 1.6107392E-03 38 3.8394360E-06 1.9595132E-04 8.4086140E-03 -3.5222214E-03 39 -1.7469694E-06 3.2808599E-05 6.0835810E-03 -4.7008091E-03 40 5.0955614E-07 -6.3111955E-06 4.5447776E-04 2.0809320E-04 41 -1.2265872E-07 1.4703985E-06 7.0663062E-06 3.0247655E-03 42 2.0020303E-08 -2.7966391E-07 -1.4632765E-07 1.0023404E-03 2P- 3P- 4P- -6.0195461E+01 -7.7278343E+00 -4.6979444E-01 ------------ ------------ ------------ 1 -8.3857671E-05 3.3780995E-05 -8.7623321E-06 2 -1.8249432E-04 7.3525544E-05 -1.9082228E-05 3 -6.4696207E-04 2.6121253E-04 -6.7737014E-05 4 -2.2951385E-03 9.2814627E-04 -2.4113617E-04 5 -9.0446559E-03 3.6856294E-03 -9.5646891E-04 6 -3.2741952E-02 1.3493966E-02 -3.5151769E-03 7 -9.9808239E-02 4.2387480E-02 -1.1056065E-02 8 -2.2947098E-01 1.0162309E-01 -2.6739737E-02 9 -3.6273943E-01 1.7097864E-01 -4.5190721E-02 10 -3.2420689E-01 1.3936644E-01 -3.6575485E-02 11 -1.1781418E-01 -1.2350591E-01 4.3734495E-02 12 -1.2942721E-02 -4.3342732E-01 1.4037236E-01 13 -1.0538272E-03 -4.4701251E-01 1.7447884E-01 14 -1.6655430E-04 -1.4255537E-01 -1.3630625E-02 15 1.5817346E-05 -5.7970350E-03 -3.8317979E-01 16 7.2550054E-06 -1.9751969E-03 -5.3083456E-01 17 5.0675317E-06 1.6889671E-05 -2.2581464E-01 18 -1.7887233E-05 7.2247752E-06 -1.8715019E-06 19 -6.3231366E-05 2.5479581E-05 -6.6231480E-06 20 -2.3200430E-04 9.3872816E-05 -2.4325194E-05 21 -7.6730261E-04 3.1040387E-04 -8.0686254E-05 22 -2.2531894E-03 9.1861334E-04 -2.3835861E-04 23 -5.6170106E-03 2.3150582E-03 -6.0312773E-04 24 -1.1564179E-02 4.9121378E-03 -1.2812248E-03 25 -1.8166231E-02 8.0478878E-03 -2.1177496E-03 26 -1.9928865E-02 9.4006926E-03 -2.4848308E-03 27 -1.2509313E-02 5.3872069E-03 -1.4142927E-03 28 -3.1853351E-03 -3.3916865E-03 1.1998832E-03 29 -2.2202150E-04 -8.3971349E-03 2.7189424E-03 30 4.5624846E-06 -6.0563497E-03 2.3635229E-03 31 8.7043875E-06 -1.3257971E-03 -1.2610500E-04 32 7.3679058E-06 -3.6551909E-05 -2.3756459E-03 33 2.7494632E-06 -8.0980806E-06 -2.1168535E-03 34 3.1024067E-06 -2.1206551E-07 -5.5305327E-04 2P+ 3P+ 4P+ -5.8433574E+01 -7.4622622E+00 -4.4918511E-01 ------------ ------------ ------------ 1 -3.1004631E-06 1.2553636E-06 3.2280671E-07 2 -2.6102306E-05 1.0530441E-05 2.7220484E-06 3 -2.0562996E-04 8.3320575E-05 2.1448587E-05 4 -1.3167440E-03 5.3322740E-04 1.3775394E-04 5 -6.8727005E-03 2.8042597E-03 7.2298292E-04 6 -2.8446983E-02 1.1731037E-02 3.0367647E-03 7 -9.2437613E-02 3.9261758E-02 1.0174270E-02 8 -2.2094683E-01 9.7832481E-02 2.5572624E-02 9 -3.6032921E-01 1.6997717E-01 4.4637102E-02 10 -3.3343012E-01 1.4770912E-01 3.8698723E-02 11 -1.2711952E-01 -1.0703700E-01 -3.8231895E-02 12 -1.4845295E-02 -4.2371444E-01 -1.3577395E-01 13 -1.1680105E-03 -4.5757413E-01 -1.7662290E-01 14 -1.7271216E-04 -1.5502047E-01 -5.0388130E-04 15 1.1753832E-05 -7.1494389E-03 3.6798840E-01 16 9.8313252E-06 -2.1432622E-03 5.3332014E-01 17 5.0929201E-06 -6.3886014E-06 2.4673329E-01 18 -6.5738622E-06 2.6614963E-06 6.8327955E-07 19 -3.4794754E-05 1.4007047E-05 3.6221792E-06 20 -1.6162180E-04 6.5381304E-05 1.6822732E-05 21 -6.1525749E-04 2.4866826E-04 6.4231899E-05 22 -1.9630179E-03 7.9954903E-04 2.0608059E-04 23 -5.1440427E-03 2.1176982E-03 5.4809442E-04 24 -1.0955646E-02 4.6461738E-03 1.2037641E-03 25 -1.7681191E-02 7.8187214E-03 2.0434391E-03 26 -1.9928868E-02 9.3907294E-03 2.4657493E-03 27 -1.2948110E-02 5.7324845E-03 1.5018840E-03 28 -3.4909692E-03 -2.9317209E-03 -1.0471276E-03 29 -2.8793236E-04 -8.2059055E-03 -2.6291112E-03 30 -1.5809524E-05 -6.1976664E-03 -2.3919651E-03 31 -1.6158798E-06 -1.4408362E-03 -4.7897938E-06 32 7.7728919E-08 -4.4332406E-05 2.2818517E-03 33 3.7300432E-08 -8.5511865E-06 2.1269163E-03 34 1.3037644E-08 -1.4724956E-08 6.0447577E-04 3D- -3.1795424E+00 ------------ 1 -2.9449086E-04 2 -2.6374056E-03 3 -1.5882928E-02 4 -5.7220648E-02 5 -1.4079849E-01 6 -2.4580009E-01 7 -3.1620168E-01 8 -3.1181742E-01 9 -1.7310894E-01 10 -3.2790132E-02 11 -7.3061324E-05 12 -4.0774963E-04 13 -1.5264234E-03 14 -3.6239657E-03 15 -6.1545359E-03 16 -7.6414023E-03 17 -7.0505028E-03 18 -4.9219150E-03 19 -1.8669372E-03 20 -2.2762900E-04 3D+ -3.1368169E+00 ------------ 1 -2.3567900E-04 2 -2.4372671E-03 3 -1.5261387E-02 4 -5.6004501E-02 5 -1.3888402E-01 6 -2.4382816E-01 7 -3.1547226E-01 8 -3.1370507E-01 9 -1.7630474E-01 10 -3.4024632E-02 11 -6.7514697E-05 12 -3.9003617E-04 13 -1.4854914E-03 14 -3.5629972E-03 15 -6.0851157E-03 16 -7.5893867E-03 17 -7.0396747E-03 18 -4.9544851E-03 19 -1.9025901E-03 20 -2.3687200E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -4.9852139E+02 -6.7124815E+01 -1.0199407E+01 -1.0208678E+00 ------------ ------------ ------------ ------------ 1 -1.2359148E-05 3.9943259E-06 -1.5930814E-06 -4.8968586E-07 2 -3.7759821E-05 1.2225235E-05 -4.8764833E-06 -1.4997130E-06 3 -1.3197522E-04 4.2847303E-05 -1.7099790E-05 -5.2555833E-06 4 -4.2545060E-04 1.3854082E-04 -5.5299785E-05 -1.7013217E-05 5 -1.3812250E-03 4.5166497E-04 -1.8043382E-04 -5.5443264E-05 6 -4.3353797E-03 1.4231782E-03 -5.6860739E-04 -1.7504187E-04 7 -1.2946613E-02 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-6.0835808E-03 -4.7008091E-03 40 -5.0959954E-07 6.3112088E-06 -4.5447772E-04 2.0809331E-04 41 1.2267580E-07 -1.4704033E-06 -7.0663073E-06 3.0247655E-03 42 -2.0024989E-08 2.7966494E-07 1.4633443E-07 1.0023403E-03 2P- 3P- 4P- -6.0195461E+01 -7.7278342E+00 -4.6979444E-01 ------------ ------------ ------------ 1 -8.3857726E-05 3.3781017E-05 -8.7623378E-06 2 -1.8249427E-04 7.3525524E-05 -1.9082222E-05 3 -6.4696212E-04 2.6121255E-04 -6.7737018E-05 4 -2.2951384E-03 9.2814624E-04 -2.4113617E-04 5 -9.0446559E-03 3.6856294E-03 -9.5646891E-04 6 -3.2741952E-02 1.3493966E-02 -3.5151769E-03 7 -9.9808239E-02 4.2387480E-02 -1.1056065E-02 8 -2.2947098E-01 1.0162309E-01 -2.6739737E-02 9 -3.6273943E-01 1.7097864E-01 -4.5190721E-02 10 -3.2420689E-01 1.3936644E-01 -3.6575485E-02 11 -1.1781418E-01 -1.2350591E-01 4.3734494E-02 12 -1.2942721E-02 -4.3342732E-01 1.4037236E-01 13 -1.0538273E-03 -4.4701250E-01 1.7447884E-01 14 -1.6655421E-04 -1.4255537E-01 -1.3630623E-02 15 1.5817291E-05 -5.7970343E-03 -3.8317979E-01 16 7.2550122E-06 -1.9751972E-03 -5.3083456E-01 17 5.0675113E-06 1.6890037E-05 -2.2581465E-01 18 -1.7887229E-05 7.2247733E-06 -1.8715014E-06 19 -6.3231367E-05 2.5479581E-05 -6.6231481E-06 20 -2.3200430E-04 9.3872815E-05 -2.4325194E-05 21 -7.6730261E-04 3.1040387E-04 -8.0686254E-05 22 -2.2531894E-03 9.1861334E-04 -2.3835860E-04 23 -5.6170106E-03 2.3150582E-03 -6.0312773E-04 24 -1.1564179E-02 4.9121378E-03 -1.2812248E-03 25 -1.8166231E-02 8.0478878E-03 -2.1177496E-03 26 -1.9928865E-02 9.4006926E-03 -2.4848308E-03 27 -1.2509313E-02 5.3872070E-03 -1.4142927E-03 28 -3.1853351E-03 -3.3916864E-03 1.1998832E-03 29 -2.2202151E-04 -8.3971349E-03 2.7189424E-03 30 4.5624847E-06 -6.0563497E-03 2.3635229E-03 31 8.7043877E-06 -1.3257971E-03 -1.2610498E-04 32 7.3679057E-06 -3.6551905E-05 -2.3756459E-03 33 2.7494632E-06 -8.0980820E-06 -2.1168535E-03 34 3.1024066E-06 -2.1206455E-07 -5.5305329E-04 2P+ 3P+ 4P+ -5.8433574E+01 -7.4622622E+00 -4.4918511E-01 ------------ ------------ ------------ 1 -3.1004616E-06 1.2553630E-06 3.2280655E-07 2 -2.6102306E-05 1.0530442E-05 2.7220485E-06 3 -2.0562995E-04 8.3320575E-05 2.1448587E-05 4 -1.3167440E-03 5.3322740E-04 1.3775394E-04 5 -6.8727005E-03 2.8042597E-03 7.2298291E-04 6 -2.8446983E-02 1.1731037E-02 3.0367647E-03 7 -9.2437613E-02 3.9261758E-02 1.0174270E-02 8 -2.2094683E-01 9.7832481E-02 2.5572624E-02 9 -3.6032921E-01 1.6997717E-01 4.4637102E-02 10 -3.3343012E-01 1.4770912E-01 3.8698723E-02 11 -1.2711952E-01 -1.0703700E-01 -3.8231895E-02 12 -1.4845296E-02 -4.2371444E-01 -1.3577395E-01 13 -1.1680105E-03 -4.5757413E-01 -1.7662290E-01 14 -1.7271211E-04 -1.5502047E-01 -5.0388176E-04 15 1.1753741E-05 -7.1494385E-03 3.6798840E-01 16 9.8314062E-06 -2.1432627E-03 5.3332014E-01 17 5.0928820E-06 -6.3883410E-06 2.4673329E-01 18 -6.5738581E-06 2.6614947E-06 6.8327913E-07 19 -3.4794755E-05 1.4007047E-05 3.6221792E-06 20 -1.6162180E-04 6.5381304E-05 1.6822732E-05 21 -6.1525749E-04 2.4866826E-04 6.4231899E-05 22 -1.9630179E-03 7.9954902E-04 2.0608059E-04 23 -5.1440426E-03 2.1176982E-03 5.4809442E-04 24 -1.0955646E-02 4.6461738E-03 1.2037641E-03 25 -1.7681191E-02 7.8187214E-03 2.0434391E-03 26 -1.9928868E-02 9.3907294E-03 2.4657493E-03 27 -1.2948110E-02 5.7324845E-03 1.5018840E-03 28 -3.4909692E-03 -2.9317209E-03 -1.0471276E-03 29 -2.8793237E-04 -8.2059054E-03 -2.6291112E-03 30 -1.5809525E-05 -6.1976664E-03 -2.3919651E-03 31 -1.6158792E-06 -1.4408363E-03 -4.7897981E-06 32 7.7728348E-08 -4.4332403E-05 2.2818517E-03 33 3.7300725E-08 -8.5511886E-06 2.1269163E-03 34 1.3037585E-08 -1.4724352E-08 6.0447578E-04 3D- -3.1795424E+00 ------------ 1 -2.9449085E-04 2 -2.6374056E-03 3 -1.5882928E-02 4 -5.7220647E-02 5 -1.4079849E-01 6 -2.4580009E-01 7 -3.1620168E-01 8 -3.1181742E-01 9 -1.7310894E-01 10 -3.2790132E-02 11 -7.3061324E-05 12 -4.0774963E-04 13 -1.5264234E-03 14 -3.6239657E-03 15 -6.1545359E-03 16 -7.6414023E-03 17 -7.0505028E-03 18 -4.9219150E-03 19 -1.8669372E-03 20 -2.2762901E-04 3D+ -3.1368169E+00 ------------ 1 -2.3567900E-04 2 -2.4372671E-03 3 -1.5261387E-02 4 -5.6004501E-02 5 -1.3888402E-01 6 -2.4382816E-01 7 -3.1547226E-01 8 -3.1370507E-01 9 -1.7630475E-01 10 -3.4024632E-02 11 -6.7514696E-05 12 -3.9003617E-04 13 -1.4854914E-03 14 -3.5629972E-03 15 -6.0851157E-03 16 -7.5893867E-03 17 -7.0396747E-03 18 -4.9544851E-03 19 -1.9025901E-03 20 -2.3687200E-04 ******************** KRYPTON SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.4200639615E+08 0.1000000000E+01 0.1000000000E+01 2 0.8167577619E+07 0.1000000000E+01 0.1000000000E+01 3 0.1825121075E+07 0.1000000000E+01 0.1000000000E+01 4 0.4633823275E+06 0.1000000000E+01 0.1000000000E+01 5 0.1321494758E+06 0.1000000000E+01 0.1000000000E+01 6 0.4185028586E+05 0.1000000000E+01 0.1000000000E+01 7 0.1455014203E+05 0.1000000000E+01 0.1000000000E+01 8 0.5490358094E+04 0.1000000000E+01 0.1000000000E+01 9 0.2222939064E+04 0.1000000000E+01 0.1000000000E+01 10 0.9547215105E+03 0.1000000000E+01 0.1000000000E+01 11 0.4300083951E+03 0.1000000000E+01 0.1000000000E+01 12 0.2007969227E+03 0.1000000000E+01 0.1000000000E+01 13 0.9610497644E+02 0.1000000000E+01 0.1000000000E+01 14 0.4660926135E+02 0.1000000000E+01 0.1000000000E+01 15 0.2264461277E+02 0.1000000000E+01 0.1000000000E+01 16 0.1089563949E+02 0.1000000000E+01 0.1000000000E+01 17 0.5132920224E+01 0.1000000000E+01 0.1000000000E+01 18 0.2340610133E+01 0.1000000000E+01 0.1000000000E+01 19 0.1021351518E+01 0.1000000000E+01 0.1000000000E+01 20 0.4216302889E+00 0.1000000000E+01 0.1000000000E+01 21 0.1627899483E+00 0.1000000000E+01 0.1000000000E+01 P- 1 0.2325642133E+06 0.1000000000E+01 0.1000000000E+01 2 0.5053851611E+05 0.1000000000E+01 0.1000000000E+01 3 0.1301169781E+05 0.1000000000E+01 0.1000000000E+01 4 0.3894897434E+04 0.1000000000E+01 0.1000000000E+01 5 0.1330231877E+04 0.1000000000E+01 0.1000000000E+01 6 0.5086823116E+03 0.1000000000E+01 0.1000000000E+01 7 0.2137334885E+03 0.1000000000E+01 0.1000000000E+01 8 0.9683310490E+02 0.1000000000E+01 0.1000000000E+01 9 0.4642150096E+02 0.1000000000E+01 0.1000000000E+01 10 0.2310879126E+02 0.1000000000E+01 0.1000000000E+01 11 0.1172240450E+02 0.1000000000E+01 0.1000000000E+01 12 0.5946429749E+01 0.1000000000E+01 0.1000000000E+01 13 0.2960156615E+01 0.1000000000E+01 0.1000000000E+01 14 0.1419092112E+01 0.1000000000E+01 0.1000000000E+01 15 0.6429284965E+00 0.1000000000E+01 0.1000000000E+01 16 0.2701404693E+00 0.1000000000E+01 0.1000000000E+01 17 0.1033023502E+00 0.1000000000E+01 0.1000000000E+01 P+ 1 0.2325642133E+06 0.1000000000E+01 0.1000000000E+01 2 0.5053851611E+05 0.1000000000E+01 0.1000000000E+01 3 0.1301169781E+05 0.1000000000E+01 0.1000000000E+01 4 0.3894897434E+04 0.1000000000E+01 0.1000000000E+01 5 0.1330231877E+04 0.1000000000E+01 0.1000000000E+01 6 0.5086823116E+03 0.1000000000E+01 0.1000000000E+01 7 0.2137334885E+03 0.1000000000E+01 0.1000000000E+01 8 0.9683310490E+02 0.1000000000E+01 0.1000000000E+01 9 0.4642150096E+02 0.1000000000E+01 0.1000000000E+01 10 0.2310879126E+02 0.1000000000E+01 0.1000000000E+01 11 0.1172240450E+02 0.1000000000E+01 0.1000000000E+01 12 0.5946429749E+01 0.1000000000E+01 0.1000000000E+01 13 0.2960156615E+01 0.1000000000E+01 0.1000000000E+01 14 0.1419092112E+01 0.1000000000E+01 0.1000000000E+01 15 0.6429284965E+00 0.1000000000E+01 0.1000000000E+01 16 0.2701404693E+00 0.1000000000E+01 0.1000000000E+01 17 0.1033023502E+00 0.1000000000E+01 0.1000000000E+01 D- 1 0.1010594323E+04 0.1000000000E+01 0.1000000000E+01 2 0.3007980499E+03 0.1000000000E+01 0.1000000000E+01 3 0.1096394627E+03 0.1000000000E+01 0.1000000000E+01 4 0.4671733172E+02 0.1000000000E+01 0.1000000000E+01 5 0.2221436683E+02 0.1000000000E+01 0.1000000000E+01 6 0.1125278848E+02 0.1000000000E+01 0.1000000000E+01 7 0.5796718461E+01 0.1000000000E+01 0.1000000000E+01 8 0.2898849209E+01 0.1000000000E+01 0.1000000000E+01 9 0.1343432765E+01 0.1000000000E+01 0.1000000000E+01 10 0.5507806445E+00 0.1000000000E+01 0.1000000000E+01 D+ 1 0.1010594323E+04 0.1000000000E+01 0.1000000000E+01 2 0.3007980499E+03 0.1000000000E+01 0.1000000000E+01 3 0.1096394627E+03 0.1000000000E+01 0.1000000000E+01 4 0.4671733172E+02 0.1000000000E+01 0.1000000000E+01 5 0.2221436683E+02 0.1000000000E+01 0.1000000000E+01 6 0.1125278848E+02 0.1000000000E+01 0.1000000000E+01 7 0.5796718461E+01 0.1000000000E+01 0.1000000000E+01 8 0.2898849209E+01 0.1000000000E+01 0.1000000000E+01 9 0.1343432765E+01 0.1000000000E+01 0.1000000000E+01 10 0.5507806445E+00 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ NUMBER OF CLOSED SHELLS 4 3 3 1 1 OPEN SHELLS 0 0 0 0 0 NUMBER OF OPEN SHELL CONFG 0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -5.2968471E+02 -7.2079671E+01 -1.1224314E+01 -1.1876634E+00 ------------ ------------ ------------ ------------ 1 1.2980728E-05 -4.2136852E-06 -1.6966888E-06 -5.4170020E-07 2 4.0332050E-05 -1.3116088E-05 -5.2817485E-06 -1.6869880E-06 3 1.3950796E-04 -4.5497984E-05 -1.8332597E-05 -5.8526888E-06 4 4.4625313E-04 -1.4599793E-04 -5.8832833E-05 -1.8797249E-05 5 1.4363510E-03 -4.7198659E-04 -1.9038762E-04 -6.0773043E-05 6 4.4783057E-03 -1.4776458E-03 -5.9601078E-04 -1.9052847E-04 7 1.3304767E-02 -4.4298035E-03 -1.7902877E-03 -5.7137173E-04 8 3.6635069E-02 -1.2391697E-02 -5.0133698E-03 -1.6043546E-03 9 9.0807313E-02 -3.1945751E-02 -1.3009584E-02 -4.1537337E-03 10 1.9218494E-01 -7.3131369E-02 -3.0044705E-02 -9.6487064E-03 11 3.1530569E-01 -1.4205442E-01 -5.9906949E-02 -1.9197560E-02 12 3.2739671E-01 -1.9725597E-01 -8.6542190E-02 -2.8200930E-02 13 1.4889790E-01 -9.7183587E-02 -4.6213716E-02 -1.4709497E-02 14 1.4703476E-02 3.0884138E-01 1.8191646E-01 6.0677135E-02 15 1.2691314E-03 6.0515333E-01 4.9941608E-01 1.8160015E-01 16 -5.5761583E-04 2.5532145E-01 2.3490434E-01 8.2271986E-02 17 2.6971612E-04 1.4311031E-02 -6.2020248E-01 -2.7592184E-01 18 -1.8406434E-04 3.2271637E-03 -6.4788979E-01 -5.3531123E-01 19 8.2983449E-05 -9.5171525E-04 -6.7839369E-02 8.0403805E-02 20 -3.1048048E-05 3.1987019E-04 -3.0850190E-03 7.8981349E-01 21 8.4135486E-06 -1.0452405E-04 2.5655584E-04 3.8048060E-01 22 3.6276712E-05 -1.1761268E-05 -4.7359480E-06 -1.5113315E-06 23 1.3040409E-04 -4.2254305E-05 -1.7004716E-05 -5.4329707E-06 24 3.6862234E-04 -1.1954062E-04 -4.8138610E-05 -1.5361102E-05 25 9.2554623E-04 -3.0004929E-04 -1.2075299E-04 -3.8585163E-05 26 2.1219278E-03 -6.8917833E-04 -2.7760659E-04 -8.8572116E-05 27 4.4871178E-03 -1.4600212E-03 -5.8780040E-04 -1.8788524E-04 28 8.7961456E-03 -2.8853474E-03 -1.1639390E-03 -3.7131072E-04 29 1.5918214E-02 -5.3026378E-03 -2.1410588E-03 -6.8503273E-04 30 2.6122330E-02 -9.0550780E-03 -3.6808336E-03 -1.1747999E-03 31 3.7077584E-02 -1.3913211E-02 -5.7061096E-03 -1.8320976E-03 32 4.1365142E-02 -1.8397500E-02 -7.7469135E-03 -2.4818804E-03 33 2.9563569E-02 -1.7610175E-02 -7.7176267E-03 -2.5145159E-03 34 9.3333052E-03 -6.0625746E-03 -2.8843607E-03 -9.1835587E-04 35 6.4263739E-04 1.3294472E-02 7.8146597E-03 2.6055284E-03 36 3.8454723E-05 1.8214768E-02 1.5009414E-02 5.4568967E-03 37 -1.1733138E-05 5.3350392E-03 4.9056075E-03 1.7184899E-03 38 3.8874104E-06 2.0509556E-04 -8.8792344E-03 -3.9492022E-03 39 -1.7852687E-06 3.1296665E-05 -6.2654082E-03 -5.1755479E-03 40 5.2893347E-07 -6.1120507E-06 -4.3343778E-04 5.1333616E-04 41 -1.2574665E-07 1.3239956E-06 -1.2647359E-05 3.2411066E-03 42 2.0760423E-08 -2.6940681E-07 6.5058027E-07 9.7017474E-04 2P- 3P- 4P- -6.4874627E+01 -8.6197742E+00 -5.4142668E-01 ------------ ------------ ------------ 1 -8.7203394E-05 3.5595609E-05 9.7068485E-06 2 -1.9979310E-04 8.1565409E-05 2.2252285E-05 3 -7.0756356E-04 2.8950825E-04 7.8938855E-05 4 -2.5516332E-03 1.0458400E-03 2.8560815E-04 5 -1.0107450E-02 4.1768544E-03 1.1399832E-03 6 -3.6482036E-02 1.5261399E-02 4.1802287E-03 7 -1.0901307E-01 4.7090597E-02 1.2926073E-02 8 -2.4196626E-01 1.0912096E-01 3.0220300E-02 9 -3.6448509E-01 1.7514943E-01 4.8775457E-02 10 -3.0751375E-01 1.2803551E-01 3.4970946E-02 11 -1.0687009E-01 -1.3954905E-01 -5.1720323E-02 12 -1.1980979E-02 -4.3590417E-01 -1.5071246E-01 13 -8.6728396E-04 -4.3681734E-01 -1.8370538E-01 14 -2.1010726E-04 -1.3474835E-01 3.1618416E-02 15 4.0569380E-05 -5.6084935E-03 4.0387878E-01 16 -1.3082996E-05 -1.1822313E-03 5.1869522E-01 17 4.2218937E-06 1.9485030E-04 2.0869241E-01 18 -1.8787200E-05 7.6897787E-06 2.0949833E-06 19 -6.8544798E-05 2.7988673E-05 7.6452997E-06 20 -2.5528978E-04 1.0469260E-04 2.8531925E-05 21 -8.5597120E-04 3.5097187E-04 9.5888593E-05 22 -2.5216007E-03 1.0425936E-03 2.8452670E-04 23 -6.2474544E-03 2.6136165E-03 7.1594784E-04 24 -1.2602539E-02 5.4451895E-03 1.4946582E-03 25 -1.9153108E-02 8.6410050E-03 2.3932333E-03 26 -2.0109770E-02 9.6719813E-03 2.6936790E-03 27 -1.1986892E-02 5.0011189E-03 1.3665461E-03 28 -2.9364594E-03 -3.9023060E-03 -1.4449904E-03 29 -2.0797762E-04 -8.6746387E-03 -2.9984856E-03 30 8.3050137E-06 -6.1341826E-03 -2.5792761E-03 31 9.0552385E-06 -1.3107681E-03 3.0661951E-04 32 8.4910991E-06 -3.7367510E-05 2.6415845E-03 33 2.9244873E-06 -5.2511725E-06 2.1993466E-03 34 3.6160245E-06 2.1894067E-07 5.4703219E-04 2P+ 3P+ 4P+ -6.2879089E+01 -8.3126829E+00 -5.1428076E-01 ------------ ------------ ------------ 1 -3.0294995E-06 -1.2438780E-06 3.3602480E-07 2 -2.6958637E-05 -1.1024425E-05 2.9903343E-06 3 -2.2001939E-04 -9.0405419E-05 2.4445039E-05 4 -1.4489810E-03 -5.9495125E-04 1.6132817E-04 5 -7.6553706E-03 -3.1691876E-03 8.5820952E-04 6 -3.1642773E-02 -1.3249290E-02 3.6014670E-03 7 -1.0090752E-01 -4.3610136E-02 1.1877013E-02 8 -2.3312501E-01 -1.0514851E-01 2.8889435E-02 9 -3.6288209E-01 -1.7468608E-01 4.8271755E-02 10 -3.1766619E-01 -1.3772430E-01 3.7612393E-02 11 -1.1616406E-01 1.2219825E-01 -4.5484206E-02 12 -1.3851554E-02 4.2648641E-01 -1.4562398E-01 13 -9.7329127E-04 4.4852086E-01 -1.8645352E-01 14 -2.1984617E-04 1.4746781E-01 1.5397397E-02 15 3.9238036E-05 6.9724792E-03 3.8800948E-01 16 -1.1976620E-05 1.3020039E-03 5.2260986E-01 17 3.9819660E-06 -2.1432304E-04 2.3084932E-01 18 -6.5471755E-06 -2.6884671E-06 7.2526862E-07 19 -3.6582314E-05 -1.4925111E-05 4.0494497E-06 20 -1.7506718E-04 -7.1810727E-05 1.9408446E-05 21 -6.8085690E-04 -2.7897613E-04 7.5633417E-05 22 -2.1874772E-03 -9.0387144E-04 2.4469569E-04 23 -5.7088272E-03 -2.3860244E-03 6.4843391E-04 24 -1.1930882E-02 -5.1479492E-03 1.4017099E-03 25 -1.8655056E-02 -8.4024601E-03 2.3081730E-03 26 -2.0160577E-02 -9.6938721E-03 2.6783769E-03 27 -1.2469804E-02 -5.4032539E-03 1.4756923E-03 28 -3.2492439E-03 3.4091163E-03 -1.2688293E-03 29 -2.7602286E-04 8.4839798E-03 -2.8963999E-03 30 -1.3629736E-05 6.2966260E-03 -2.6171613E-03 31 -2.1589373E-06 1.4335401E-03 1.4951126E-04 32 2.6646543E-07 4.5615900E-05 2.5382702E-03 33 -5.4550889E-08 5.5238508E-06 2.2161247E-03 34 1.1520894E-08 -5.6263122E-07 6.0535250E-04 3D- -3.7775324E+00 ------------ 1 3.0920883E-04 2 2.7539458E-03 3 1.6423073E-02 4 5.8624062E-02 5 1.4320533E-01 6 2.4930020E-01 7 3.2185012E-01 8 3.1252799E-01 9 1.5936465E-01 10 2.4970079E-02 11 7.8380295E-05 12 4.3748345E-04 13 1.6262671E-03 14 3.8376888E-03 15 6.4909952E-03 16 8.0587312E-03 17 7.4729943E-03 18 5.1335772E-03 19 1.7819030E-03 20 1.7818510E-04 3D+ -3.7266806E+00 ------------ 1 2.4451210E-04 2 2.5339466E-03 3 1.5747119E-02 4 5.7319290E-02 5 1.4118335E-01 6 2.4727811E-01 7 3.2121322E-01 8 3.1474281E-01 9 1.6258850E-01 10 2.5958350E-02 11 7.2106559E-05 12 4.1749698E-04 13 1.5805413E-03 14 3.7703798E-03 15 6.4154935E-03 16 8.0038832E-03 17 7.4644422E-03 18 5.1731587E-03 19 1.8193326E-03 20 1.8598979E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ -5.2968472E+02 -7.2079672E+01 -1.1224315E+01 -1.1876634E+00 ------------ ------------ ------------ ------------ 1 1.3025025E-05 4.2280751E-06 1.7024828E-06 5.4355065E-07 2 4.0306146E-05 1.3107664E-05 5.2783559E-06 1.6859044E-06 3 1.3952776E-04 4.5504437E-05 1.8335196E-05 5.8535191E-06 4 4.4624004E-04 1.4599366E-04 5.8831113E-05 1.8796699E-05 5 1.4363663E-03 4.7199158E-04 1.9038963E-04 6.0773686E-05 6 4.4782940E-03 1.4776419E-03 5.9600924E-04 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