Ta [Xe]6s(2)4f(14)5d(3) 26s24/21p18/18d14/14f Nucleus Model : Gaussian Charge Distribution Nuclear Charge = 73.0 Atomic Mass = 181.0 Parameter Alpha = 1.495933E+08 Speed of Light = 137.0359895 S+ P- P+ D- D+ F- F+ Number of Closed Shells 6 4 4 2 2 1 1 Open Shells 0 0 0 1 1 0 0 Conf Weight Open Shell Occupation Numbers 1 0.03333333 0.0 0.0 0.0 3.0 0.0 0.0 0.0 2 0.30000000 0.0 0.0 0.0 2.0 1.0 0.0 0.0 3 0.50000000 0.0 0.0 0.0 1.0 2.0 0.0 0.0 4 0.16666667 0.0 0.0 0.0 0.0 3.0 0.0 0.0 ENERGIES Total Energy = -1.561662931345890E+04 Mass Energy = -1.561287955197590E+04 Kinetic Energy = 3.313248234780350E+04 Potential Energy = -3.313623210928650E+04 SINGLE-FAMILY EXPONENT BASIS SET Exponent S+ P- P+ D- D+ F- F+ 6.6615658400E+07 o 1.7025329242E+07 o o 4.9731738395E+06 o o 1.5614918115E+06 o o 5.2702475878E+05 o o o 1.8872189044E+05 o o o 7.1300512093E+04 o o o 2.8269060288E+04 o o o o o 1.1714169505E+04 o o o o o 5.0564865925E+03 o o o o o 2.2675051092E+03 o o o o o o o 1.0540927157E+03 o o o o o o o 5.0605349713E+02 o o o o o o o 2.5067886426E+02 o o o o o o o 1.2788811757E+02 o o o o o o o 6.6377555998E+01 o o o o o o o 3.5106280307E+01 o o o o o o o 1.8818483036E+01 o o o o o o o 9.9282041457E+00 o o o o o o o 5.1134640818E+00 o o o o o o o 2.5619550429E+00 o o o o o o o 1.2264402304E+00 o o o o o o o 5.5812092071E-01 o o o o o o o 2.3169580316E-01 o o o o o o o 8.4163835249E-02 o o o o o 3.3007488306E-02 o NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 6.6615658400E+07 1.0000000000E+00 1.0000000000E+00 2 1.7025329242E+07 1.0000000000E+00 1.0000000000E+00 3 4.9731738395E+06 1.0000000000E+00 1.0000000000E+00 4 1.5614918115E+06 1.0000000000E+00 1.0000000000E+00 5 5.2702475878E+05 1.0000000000E+00 1.0000000000E+00 6 1.8872189044E+05 1.0000000000E+00 1.0000000000E+00 7 7.1300512093E+04 1.0000000000E+00 1.0000000000E+00 8 2.8269060288E+04 1.0000000000E+00 1.0000000000E+00 9 1.1714169505E+04 1.0000000000E+00 1.0000000000E+00 10 5.0564865925E+03 1.0000000000E+00 1.0000000000E+00 11 2.2675051092E+03 1.0000000000E+00 1.0000000000E+00 12 1.0540927157E+03 1.0000000000E+00 1.0000000000E+00 13 5.0605349713E+02 1.0000000000E+00 1.0000000000E+00 14 2.5067886426E+02 1.0000000000E+00 1.0000000000E+00 15 1.2788811757E+02 1.0000000000E+00 1.0000000000E+00 16 6.6377555998E+01 1.0000000000E+00 1.0000000000E+00 17 3.5106280307E+01 1.0000000000E+00 1.0000000000E+00 18 1.8818483036E+01 1.0000000000E+00 1.0000000000E+00 19 9.9282041457E+00 1.0000000000E+00 1.0000000000E+00 20 5.1134640818E+00 1.0000000000E+00 1.0000000000E+00 21 2.5619550429E+00 1.0000000000E+00 1.0000000000E+00 22 1.2264402304E+00 1.0000000000E+00 1.0000000000E+00 23 5.5812092071E-01 1.0000000000E+00 1.0000000000E+00 24 2.3169580316E-01 1.0000000000E+00 1.0000000000E+00 25 8.4163835249E-02 1.0000000000E+00 1.0000000000E+00 26 3.3007488306E-02 1.0000000000E+00 1.0000000000E+00 P- 1 1.7025329242E+07 1.0000000000E+00 1.0000000000E+00 2 4.9731738395E+06 1.0000000000E+00 1.0000000000E+00 3 1.5614918115E+06 1.0000000000E+00 1.0000000000E+00 4 5.2702475878E+05 1.0000000000E+00 1.0000000000E+00 5 1.8872189044E+05 1.0000000000E+00 1.0000000000E+00 6 7.1300512093E+04 1.0000000000E+00 1.0000000000E+00 7 2.8269060288E+04 1.0000000000E+00 1.0000000000E+00 8 1.1714169505E+04 1.0000000000E+00 1.0000000000E+00 9 5.0564865925E+03 1.0000000000E+00 1.0000000000E+00 10 2.2675051092E+03 1.0000000000E+00 1.0000000000E+00 11 1.0540927157E+03 1.0000000000E+00 1.0000000000E+00 12 5.0605349713E+02 1.0000000000E+00 1.0000000000E+00 13 2.5067886426E+02 1.0000000000E+00 1.0000000000E+00 14 1.2788811757E+02 1.0000000000E+00 1.0000000000E+00 15 6.6377555998E+01 1.0000000000E+00 1.0000000000E+00 16 3.5106280307E+01 1.0000000000E+00 1.0000000000E+00 17 1.8818483036E+01 1.0000000000E+00 1.0000000000E+00 18 9.9282041457E+00 1.0000000000E+00 1.0000000000E+00 19 5.1134640818E+00 1.0000000000E+00 1.0000000000E+00 20 2.5619550429E+00 1.0000000000E+00 1.0000000000E+00 21 1.2264402304E+00 1.0000000000E+00 1.0000000000E+00 22 5.5812092071E-01 1.0000000000E+00 1.0000000000E+00 23 2.3169580316E-01 1.0000000000E+00 1.0000000000E+00 24 8.4163835249E-02 1.0000000000E+00 1.0000000000E+00 P+ 1 5.2702475878E+05 1.0000000000E+00 1.0000000000E+00 2 1.8872189044E+05 1.0000000000E+00 1.0000000000E+00 3 7.1300512093E+04 1.0000000000E+00 1.0000000000E+00 4 2.8269060288E+04 1.0000000000E+00 1.0000000000E+00 5 1.1714169505E+04 1.0000000000E+00 1.0000000000E+00 6 5.0564865925E+03 1.0000000000E+00 1.0000000000E+00 7 2.2675051092E+03 1.0000000000E+00 1.0000000000E+00 8 1.0540927157E+03 1.0000000000E+00 1.0000000000E+00 9 5.0605349713E+02 1.0000000000E+00 1.0000000000E+00 10 2.5067886426E+02 1.0000000000E+00 1.0000000000E+00 11 1.2788811757E+02 1.0000000000E+00 1.0000000000E+00 12 6.6377555998E+01 1.0000000000E+00 1.0000000000E+00 13 3.5106280307E+01 1.0000000000E+00 1.0000000000E+00 14 1.8818483036E+01 1.0000000000E+00 1.0000000000E+00 15 9.9282041457E+00 1.0000000000E+00 1.0000000000E+00 16 5.1134640818E+00 1.0000000000E+00 1.0000000000E+00 17 2.5619550429E+00 1.0000000000E+00 1.0000000000E+00 18 1.2264402304E+00 1.0000000000E+00 1.0000000000E+00 19 5.5812092071E-01 1.0000000000E+00 1.0000000000E+00 20 2.3169580316E-01 1.0000000000E+00 1.0000000000E+00 21 8.4163835249E-02 1.0000000000E+00 1.0000000000E+00 D- 1 2.8269060288E+04 1.0000000000E+00 1.0000000000E+00 2 1.1714169505E+04 1.0000000000E+00 1.0000000000E+00 3 5.0564865925E+03 1.0000000000E+00 1.0000000000E+00 4 2.2675051092E+03 1.0000000000E+00 1.0000000000E+00 5 1.0540927157E+03 1.0000000000E+00 1.0000000000E+00 6 5.0605349713E+02 1.0000000000E+00 1.0000000000E+00 7 2.5067886426E+02 1.0000000000E+00 1.0000000000E+00 8 1.2788811757E+02 1.0000000000E+00 1.0000000000E+00 9 6.6377555998E+01 1.0000000000E+00 1.0000000000E+00 10 3.5106280307E+01 1.0000000000E+00 1.0000000000E+00 11 1.8818483036E+01 1.0000000000E+00 1.0000000000E+00 12 9.9282041457E+00 1.0000000000E+00 1.0000000000E+00 13 5.1134640818E+00 1.0000000000E+00 1.0000000000E+00 14 2.5619550429E+00 1.0000000000E+00 1.0000000000E+00 15 1.2264402304E+00 1.0000000000E+00 1.0000000000E+00 16 5.5812092071E-01 1.0000000000E+00 1.0000000000E+00 17 2.3169580316E-01 1.0000000000E+00 1.0000000000E+00 18 8.4163835249E-02 1.0000000000E+00 1.0000000000E+00 D+ 1 2.8269060288E+04 1.0000000000E+00 1.0000000000E+00 2 1.1714169505E+04 1.0000000000E+00 1.0000000000E+00 3 5.0564865925E+03 1.0000000000E+00 1.0000000000E+00 4 2.2675051092E+03 1.0000000000E+00 1.0000000000E+00 5 1.0540927157E+03 1.0000000000E+00 1.0000000000E+00 6 5.0605349713E+02 1.0000000000E+00 1.0000000000E+00 7 2.5067886426E+02 1.0000000000E+00 1.0000000000E+00 8 1.2788811757E+02 1.0000000000E+00 1.0000000000E+00 9 6.6377555998E+01 1.0000000000E+00 1.0000000000E+00 10 3.5106280307E+01 1.0000000000E+00 1.0000000000E+00 11 1.8818483036E+01 1.0000000000E+00 1.0000000000E+00 12 9.9282041457E+00 1.0000000000E+00 1.0000000000E+00 13 5.1134640818E+00 1.0000000000E+00 1.0000000000E+00 14 2.5619550429E+00 1.0000000000E+00 1.0000000000E+00 15 1.2264402304E+00 1.0000000000E+00 1.0000000000E+00 16 5.5812092071E-01 1.0000000000E+00 1.0000000000E+00 17 2.3169580316E-01 1.0000000000E+00 1.0000000000E+00 18 8.4163835249E-02 1.0000000000E+00 1.0000000000E+00 F- 1 2.2675051092E+03 1.0000000000E+00 1.0000000000E+00 2 1.0540927157E+03 1.0000000000E+00 1.0000000000E+00 3 5.0605349713E+02 1.0000000000E+00 1.0000000000E+00 4 2.5067886426E+02 1.0000000000E+00 1.0000000000E+00 5 1.2788811757E+02 1.0000000000E+00 1.0000000000E+00 6 6.6377555998E+01 1.0000000000E+00 1.0000000000E+00 7 3.5106280307E+01 1.0000000000E+00 1.0000000000E+00 8 1.8818483036E+01 1.0000000000E+00 1.0000000000E+00 9 9.9282041457E+00 1.0000000000E+00 1.0000000000E+00 10 5.1134640818E+00 1.0000000000E+00 1.0000000000E+00 11 2.5619550429E+00 1.0000000000E+00 1.0000000000E+00 12 1.2264402304E+00 1.0000000000E+00 1.0000000000E+00 13 5.5812092071E-01 1.0000000000E+00 1.0000000000E+00 14 2.3169580316E-01 1.0000000000E+00 1.0000000000E+00 F+ 1 2.2675051092E+03 1.0000000000E+00 1.0000000000E+00 2 1.0540927157E+03 1.0000000000E+00 1.0000000000E+00 3 5.0605349713E+02 1.0000000000E+00 1.0000000000E+00 4 2.5067886426E+02 1.0000000000E+00 1.0000000000E+00 5 1.2788811757E+02 1.0000000000E+00 1.0000000000E+00 6 6.6377555998E+01 1.0000000000E+00 1.0000000000E+00 7 3.5106280307E+01 1.0000000000E+00 1.0000000000E+00 8 1.8818483036E+01 1.0000000000E+00 1.0000000000E+00 9 9.9282041457E+00 1.0000000000E+00 1.0000000000E+00 10 5.1134640818E+00 1.0000000000E+00 1.0000000000E+00 11 2.5619550429E+00 1.0000000000E+00 1.0000000000E+00 12 1.2264402304E+00 1.0000000000E+00 1.0000000000E+00 13 5.5812092071E-01 1.0000000000E+00 1.0000000000E+00 14 2.3169580316E-01 1.0000000000E+00 1.0000000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -2.4930979E+03 -4.3327599E+02 -1.0147692E+02 -2.1849544E+01 -3.2034634E+00 -2.5375728E-01 ------------ ------------ ------------ ------------ ------------ ------------ *** Large-Component *** 1 1.1889786E-04 -4.4919436E-05 2.1284422E-05 -1.0425632E-05 4.1899506E-06 1.1629858E-06 2 3.2705115E-04 -1.2396336E-04 5.8766215E-05 -2.8785569E-05 1.1567611E-05 3.2102794E-06 3 7.9677437E-04 -3.0335286E-04 1.4391759E-04 -7.0517293E-05 2.8343080E-05 7.8675375E-06 4 1.7794844E-03 -6.8226556E-04 3.2401628E-04 -1.5877431E-04 6.3807317E-05 1.7707084E-05 5 3.9360951E-03 -1.5235061E-03 7.2468387E-04 -3.5532622E-04 1.4284723E-04 3.9656721E-05 6 8.6783081E-03 -3.4006156E-03 1.6204450E-03 -7.9460801E-04 3.1935636E-04 8.8613336E-05 7 1.9226476E-02 -7.6524487E-03 3.6562215E-03 -1.7948258E-03 7.2182877E-04 2.0043918E-04 8 4.2272433E-02 -1.7182150E-02 8.2348933E-03 -4.0429254E-03 1.6250563E-03 4.5080945E-04 9 8.9744833E-02 -3.7723329E-02 1.8188066E-02 -8.9498560E-03 3.6021051E-03 1.0006774E-03 10 1.7418593E-01 -7.7792198E-02 3.7880178E-02 -1.8661782E-02 7.5047173E-03 2.0810364E-03 11 2.8005223E-01 -1.4039412E-01 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2.4993188E-03 7.7037870E-01 2.9323111E-01 23 2.6265676E-05 -8.3213928E-05 -4.4649577E-04 3.9789675E-03 6.5946980E-01 4.6826915E-01 24 -1.0457213E-05 3.4042315E-05 1.6761885E-04 -1.1832553E-03 5.2969365E-02 -6.5869664E-02 25 3.8936391E-06 -1.2633581E-05 -6.4770577E-05 4.5505404E-04 1.3904634E-03 -7.5956035E-01 26 -1.1449522E-06 3.7175370E-06 1.9160436E-05 -1.3310759E-04 -4.6700588E-04 -3.8161678E-01 *** Small-Component *** 27 1.5226277E-04 -5.7392408E-05 2.7186871E-05 -1.3318470E-05 5.3536586E-06 1.4864472E-06 28 5.9573607E-04 -2.2455627E-04 1.0635275E-04 -5.2075647E-05 2.0922218E-05 5.8049838E-06 29 1.4003210E-03 -5.2815279E-04 2.5021138E-04 -1.2257708E-04 4.9272479E-05 1.3680397E-05 30 2.9698402E-03 -1.1209532E-03 5.3100299E-04 -2.6000509E-04 1.0445634E-04 2.8979723E-05 31 5.8391466E-03 -2.2077319E-03 1.0463632E-03 -5.1269332E-04 2.0610823E-04 5.7231616E-05 32 1.0967112E-02 -4.1591175E-03 1.9716978E-03 -9.6553617E-04 3.8788102E-04 1.0759783E-04 33 1.9616563E-02 -7.4888814E-03 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-2.5496275E-02 1.2653058E-02 3.5450216E-03 45 8.1269727E-06 -2.8203581E-05 2.7416494E-03 4.9470300E-03 -3.3177183E-03 -8.8028170E-04 46 -3.3407872E-06 8.9410707E-06 1.1711899E-04 1.3741468E-02 -1.1566155E-02 -3.7268079E-03 47 1.2832514E-06 -3.9203325E-06 -1.1007157E-05 3.1320702E-03 -3.8878280E-03 -1.1901987E-03 48 -4.3439240E-07 1.3367926E-06 5.5832059E-06 1.7427576E-05 5.3916381E-03 2.0520940E-03 49 1.2865736E-07 -3.7071849E-07 -2.1875327E-06 1.8824525E-05 3.1137288E-03 2.2108314E-03 50 -3.2390881E-08 9.3944395E-08 5.4111011E-07 -3.6130540E-06 1.6114464E-04 -2.0035818E-04 51 6.9928320E-09 -1.9215561E-08 -1.3069280E-07 8.3922910E-07 2.5486235E-06 -1.3925846E-03 52 -1.1964314E-09 2.9433838E-09 2.5846666E-08 -1.5436394E-07 -5.3598356E-07 -4.3815867E-04 2P- 3P- 4P- 5P- -4.1314250E+02 -9.2565575E+01 -1.8134881E+01 -2.0183354E+00 ------------ ------------ ------------ ------------ *** Large-Component *** 1 7.1238425E-05 -3.5664658E-05 -1.7266978E-05 6.3777815E-06 2 1.1360718E-04 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