Xe [Kr]5s(2)4d(10)5p(6) 24s23/20p14/14d Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 54.0 Atomic Mass = 132.0 Nuclear Radius = 1.177513E-04 Speed of Light = 137.0359895 S+ P- P+ D- D+ Number of Closed Shells 5 4 4 2 2 Open Shells 0 0 0 0 0 ENERGIES Total Energy = -7.446893425964386E+03 Mass Energy = -7.446402313566178E+03 Kinetic Energy = 1.535780558065332E+04 Potential Energy = -1.535829669305153E+04 VIRIAL -[+(CORR )]/ = 1.00000002322824 SINGLE-FAMILY EXPONENT BASIS SET Exponent S+ P- P+ D- D+ 4.6507147077E+07 o 9.5739451325E+06 o o 2.5197775061E+06 o o 7.4400534502E+05 o o 2.4158815568E+05 o o o 8.4574975612E+04 o o o 3.1620122179E+04 o o o 1.2513606874E+04 o o o 5.2004453256E+03 o o o o o 2.2557912442E+03 o o o o o 1.0175166605E+03 o o o o o 4.7597917720E+02 o o o o o 2.2929964737E+02 o o o o o 1.1365662289E+02 o o o o o 5.7867445299E+01 o o o o o 2.9716332258E+01 o o o o o 1.5440633669E+01 o o o o o 8.1337599516E+00 o o o o o 4.1623786039E+00 o o o o o 2.0817078322E+00 o o o o o 1.0127727723E+00 o o o o o 4.3884096550E-01 o o o o o 1.8700321306E-01 o o o 7.6601340261E-02 o o o NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 4.6507147077E+07 1.0000000000E+00 1.0000000000E+00 2 9.5739451325E+06 1.0000000000E+00 1.0000000000E+00 3 2.5197775061E+06 1.0000000000E+00 1.0000000000E+00 4 7.4400534502E+05 1.0000000000E+00 1.0000000000E+00 5 2.4158815568E+05 1.0000000000E+00 1.0000000000E+00 6 8.4574975612E+04 1.0000000000E+00 1.0000000000E+00 7 3.1620122179E+04 1.0000000000E+00 1.0000000000E+00 8 1.2513606874E+04 1.0000000000E+00 1.0000000000E+00 9 5.2004453256E+03 1.0000000000E+00 1.0000000000E+00 10 2.2557912442E+03 1.0000000000E+00 1.0000000000E+00 11 1.0175166605E+03 1.0000000000E+00 1.0000000000E+00 12 4.7597917720E+02 1.0000000000E+00 1.0000000000E+00 13 2.2929964737E+02 1.0000000000E+00 1.0000000000E+00 14 1.1365662289E+02 1.0000000000E+00 1.0000000000E+00 15 5.7867445299E+01 1.0000000000E+00 1.0000000000E+00 16 2.9716332258E+01 1.0000000000E+00 1.0000000000E+00 17 1.5440633669E+01 1.0000000000E+00 1.0000000000E+00 18 8.1337599516E+00 1.0000000000E+00 1.0000000000E+00 19 4.1623786039E+00 1.0000000000E+00 1.0000000000E+00 20 2.0817078322E+00 1.0000000000E+00 1.0000000000E+00 21 1.0127727723E+00 1.0000000000E+00 1.0000000000E+00 22 4.3884096550E-01 1.0000000000E+00 1.0000000000E+00 23 1.8700321306E-01 1.0000000000E+00 1.0000000000E+00 24 7.6601340261E-02 1.0000000000E+00 1.0000000000E+00 P- 1 9.5739451325E+06 1.0000000000E+00 1.0000000000E+00 2 2.5197775061E+06 1.0000000000E+00 1.0000000000E+00 3 7.4400534502E+05 1.0000000000E+00 1.0000000000E+00 4 2.4158815568E+05 1.0000000000E+00 1.0000000000E+00 5 8.4574975612E+04 1.0000000000E+00 1.0000000000E+00 6 3.1620122179E+04 1.0000000000E+00 1.0000000000E+00 7 1.2513606874E+04 1.0000000000E+00 1.0000000000E+00 8 5.2004453256E+03 1.0000000000E+00 1.0000000000E+00 9 2.2557912442E+03 1.0000000000E+00 1.0000000000E+00 10 1.0175166605E+03 1.0000000000E+00 1.0000000000E+00 11 4.7597917720E+02 1.0000000000E+00 1.0000000000E+00 12 2.2929964737E+02 1.0000000000E+00 1.0000000000E+00 13 1.1365662289E+02 1.0000000000E+00 1.0000000000E+00 14 5.7867445299E+01 1.0000000000E+00 1.0000000000E+00 15 2.9716332258E+01 1.0000000000E+00 1.0000000000E+00 16 1.5440633669E+01 1.0000000000E+00 1.0000000000E+00 17 8.1337599516E+00 1.0000000000E+00 1.0000000000E+00 18 4.1623786039E+00 1.0000000000E+00 1.0000000000E+00 19 2.0817078322E+00 1.0000000000E+00 1.0000000000E+00 20 1.0127727723E+00 1.0000000000E+00 1.0000000000E+00 21 4.3884096550E-01 1.0000000000E+00 1.0000000000E+00 22 1.8700321306E-01 1.0000000000E+00 1.0000000000E+00 23 7.6601340261E-02 1.0000000000E+00 1.0000000000E+00 P+ 1 2.4158815568E+05 1.0000000000E+00 1.0000000000E+00 2 8.4574975612E+04 1.0000000000E+00 1.0000000000E+00 3 3.1620122179E+04 1.0000000000E+00 1.0000000000E+00 4 1.2513606874E+04 1.0000000000E+00 1.0000000000E+00 5 5.2004453256E+03 1.0000000000E+00 1.0000000000E+00 6 2.2557912442E+03 1.0000000000E+00 1.0000000000E+00 7 1.0175166605E+03 1.0000000000E+00 1.0000000000E+00 8 4.7597917720E+02 1.0000000000E+00 1.0000000000E+00 9 2.2929964737E+02 1.0000000000E+00 1.0000000000E+00 10 1.1365662289E+02 1.0000000000E+00 1.0000000000E+00 11 5.7867445299E+01 1.0000000000E+00 1.0000000000E+00 12 2.9716332258E+01 1.0000000000E+00 1.0000000000E+00 13 1.5440633669E+01 1.0000000000E+00 1.0000000000E+00 14 8.1337599516E+00 1.0000000000E+00 1.0000000000E+00 15 4.1623786039E+00 1.0000000000E+00 1.0000000000E+00 16 2.0817078322E+00 1.0000000000E+00 1.0000000000E+00 17 1.0127727723E+00 1.0000000000E+00 1.0000000000E+00 18 4.3884096550E-01 1.0000000000E+00 1.0000000000E+00 19 1.8700321306E-01 1.0000000000E+00 1.0000000000E+00 20 7.6601340261E-02 1.0000000000E+00 1.0000000000E+00 D- 1 5.2004453256E+03 1.0000000000E+00 1.0000000000E+00 2 2.2557912442E+03 1.0000000000E+00 1.0000000000E+00 3 1.0175166605E+03 1.0000000000E+00 1.0000000000E+00 4 4.7597917720E+02 1.0000000000E+00 1.0000000000E+00 5 2.2929964737E+02 1.0000000000E+00 1.0000000000E+00 6 1.1365662289E+02 1.0000000000E+00 1.0000000000E+00 7 5.7867445299E+01 1.0000000000E+00 1.0000000000E+00 8 2.9716332258E+01 1.0000000000E+00 1.0000000000E+00 9 1.5440633669E+01 1.0000000000E+00 1.0000000000E+00 10 8.1337599516E+00 1.0000000000E+00 1.0000000000E+00 11 4.1623786039E+00 1.0000000000E+00 1.0000000000E+00 12 2.0817078322E+00 1.0000000000E+00 1.0000000000E+00 13 1.0127727723E+00 1.0000000000E+00 1.0000000000E+00 14 4.3884096550E-01 1.0000000000E+00 1.0000000000E+00 D+ 1 5.2004453256E+03 1.0000000000E+00 1.0000000000E+00 2 2.2557912442E+03 1.0000000000E+00 1.0000000000E+00 3 1.0175166605E+03 1.0000000000E+00 1.0000000000E+00 4 4.7597917720E+02 1.0000000000E+00 1.0000000000E+00 5 2.2929964737E+02 1.0000000000E+00 1.0000000000E+00 6 1.1365662289E+02 1.0000000000E+00 1.0000000000E+00 7 5.7867445299E+01 1.0000000000E+00 1.0000000000E+00 8 2.9716332258E+01 1.0000000000E+00 1.0000000000E+00 9 1.5440633669E+01 1.0000000000E+00 1.0000000000E+00 10 8.1337599516E+00 1.0000000000E+00 1.0000000000E+00 11 4.1623786039E+00 1.0000000000E+00 1.0000000000E+00 12 2.0817078322E+00 1.0000000000E+00 1.0000000000E+00 13 1.0127727723E+00 1.0000000000E+00 1.0000000000E+00 14 4.3884096550E-01 1.0000000000E+00 1.0000000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ -1.2772552E+03 -2.0246468E+02 -4.3010280E+01 -8.4297958E+00 -1.0100532E+00 ------------ ------------ ------------ ------------ ------------ *** Large-Component *** 1 5.4606533E-05 -1.9057115E-05 -8.5624555E-06 -3.9050048E-06 1.3934970E-06 2 1.5490557E-04 -5.4227429E-05 -2.4373661E-05 -1.1115523E-05 3.9657687E-06 3 4.1204276E-04 -1.4482373E-04 -6.5140045E-05 -2.9716299E-05 1.0605878E-05 4 1.0412671E-03 -3.6813011E-04 -1.6569217E-04 -7.5579858E-05 2.6962928E-05 5 2.6355096E-03 -9.3841491E-04 -4.2291305E-04 -1.9302893E-04 6.8912543E-05 6 6.6706072E-03 -2.3958624E-03 -1.0807190E-03 -4.9312810E-04 1.7589269E-04 7 1.6762782E-02 -6.0906319E-03 -2.7533152E-03 -1.2577195E-03 4.4921936E-04 8 4.0986606E-02 -1.5177588E-02 -6.8764114E-03 -3.1399820E-03 1.1197663E-03 9 9.4257820E-02 -3.6215220E-02 -1.6513467E-02 -7.5592223E-03 2.7022605E-03 10 1.9152588E-01 -7.9366069E-02 -3.6576270E-02 -1.6756813E-02 5.9760255E-03 11 3.0714057E-01 -1.4813488E-01 -7.0069567E-02 -3.2350080E-02 1.1597304E-02 12 3.1666090E-01 -1.9725835E-01 -9.7311027E-02 -4.5164901E-02 1.6104126E-02 13 1.4784921E-01 -7.8572516E-02 -4.0043655E-02 -1.9156710E-02 7.0888027E-03 14 1.5553235E-02 3.1741587E-01 2.2354794E-01 1.1332059E-01 -4.1796215E-02 15 1.6655175E-03 5.6510628E-01 5.3899575E-01 2.8788990E-01 -1.0494193E-01 16 -1.0470726E-03 2.6786026E-01 2.7863278E-01 1.6922169E-01 -6.7262106E-02 17 7.1938101E-04 2.3828290E-02 -5.9942136E-01 -4.8441032E-01 2.0223308E-01 18 -5.3499489E-04 2.7717468E-03 -6.7741877E-01 -8.5450660E-01 3.6441180E-01 19 3.1893952E-04 -1.2606757E-03 -1.2114777E-01 2.0537724E-01 -1.0887191E-01 20 -1.6966777E-04 4.5264465E-04 -6.3630082E-03 9.4741790E-01 -6.6442086E-01 21 8.2594376E-05 -2.7931991E-04 4.5086492E-04 3.0861072E-01 -3.5063362E-01 22 -3.4599269E-05 1.1701494E-04 -4.1153737E-04 1.7691838E-03 6.5333102E-01 23 1.3626827E-05 -4.2559818E-05 2.5384119E-04 3.1581857E-03 6.5737351E-01 24 -3.4878106E-06 1.1519419E-05 -5.4161175E-05 -5.4963759E-04 8.3818999E-02 *** Small-Component *** 25 1.0264975E-04 -3.5745552E-05 -1.6057272E-05 -7.3238756E-06 2.6142616E-06 26 3.6143270E-04 -1.2587701E-04 -5.6529802E-05 -2.5771902E-05 9.1919533E-06 27 8.6107567E-04 -3.0000025E-04 -1.3477930E-04 -6.1479547E-05 2.1947959E-05 28 1.9096146E-03 -6.6575727E-04 -2.9901103E-04 -1.3630991E-04 4.8609087E-05 29 3.9295331E-03 -1.3720472E-03 -6.1665320E-04 -2.8133448E-04 1.0045427E-04 30 7.6786347E-03 -2.6899315E-03 -1.2089168E-03 -5.5112842E-04 1.9650265E-04 31 1.4193837E-02 -5.0096156E-03 -2.2554204E-03 -1.0294923E-03 3.6770957E-04 32 2.4734530E-02 -8.8756472E-03 -4.0031661E-03 -1.8260965E-03 6.5099210E-04 33 3.9743974E-02 -1.4787770E-02 -6.7131065E-03 -3.0702908E-03 1.0974722E-03 34 5.5925585E-02 -2.2460016E-02 -1.0306721E-02 -4.7174544E-03 1.6819640E-03 35 6.2066023E-02 -2.9063762E-02 -1.3695929E-02 -6.3183922E-03 2.2648548E-03 36 4.4513050E-02 -2.7015731E-02 -1.3291220E-02 -6.1654476E-03 2.1980986E-03 37 1.4546766E-02 -7.6929002E-03 -3.9407930E-03 -1.8861037E-03 6.9740308E-04 38 1.0814924E-03 2.1273017E-02 1.4905136E-02 7.5484623E-03 -2.7838589E-03 39 8.1909145E-05 2.7228837E-02 2.5868735E-02 1.3808771E-02 -5.0329814E-03 40 -3.6960169E-05 9.2660946E-03 9.6274284E-03 5.8470844E-03 -2.3236156E-03 41 1.8275604E-05 5.9492999E-04 -1.4876068E-02 -1.2009837E-02 5.0130535E-03 42 -9.8173051E-06 4.9810632E-05 -1.2219574E-02 -1.5402191E-02 6.5680227E-03 43 4.1655956E-06 -1.6129957E-05 -1.5633309E-03 2.6451980E-03 -1.4017845E-03 44 -1.5536474E-06 4.0413806E-06 -5.8196117E-05 8.6395774E-03 -6.0579220E-03 45 5.2060333E-07 -1.7319699E-06 2.9373580E-06 1.9631265E-03 -2.2301627E-03 46 -1.4010396E-07 4.6959204E-07 -1.7523405E-06 7.4071796E-06 2.7351459E-03 47 3.4439838E-08 -1.0737272E-07 7.0586333E-07 8.6321910E-06 1.7965548E-03 48 -5.1427059E-09 1.7523560E-08 -9.8103137E-08 -9.6146541E-07 1.4660962E-04 2P- 3P- 4P- 5P- -1.8967962E+02 -3.7659840E+01 -6.4523845E+00 -4.9248029E-01 ------------ ------------ ------------ ------------ *** Large-Component *** 1 2.7456313E-05 -1.2881548E-05 -5.7097420E-06 -1.7840338E-06 2 4.5727201E-05 -2.1454350E-05 -9.5084747E-06 -2.9701901E-06 3 1.2237681E-04 -5.7427985E-05 -2.5458324E-05 -7.9560446E-06 4 2.4591170E-04 -1.1542382E-04 -5.1151521E-05 -1.5973521E-05 5 5.3946737E-04 -2.5344347E-04 -1.1241061E-04 -3.5151075E-05 6 1.1505090E-03 -5.4115148E-04 -2.3981631E-04 -7.4829663E-05 7 2.6694733E-03 -1.2599347E-03 -5.5965538E-04 -1.7523356E-04 8 6.6766880E-03 -3.1652939E-03 -1.4041701E-03 -4.3776740E-04 9 1.7989010E-02 -8.6139099E-03 -3.8390090E-03 -1.2036687E-03 10 4.8532653E-02 -2.3617148E-02 -1.0529853E-02 -3.2842770E-03 11 1.2099585E-01 -6.0814482E-02 -2.7379998E-02 -8.6037281E-03 12 2.4794522E-01 -1.3048514E-01 -5.9105998E-02 -1.8470383E-02 13 3.5666036E-01 -1.9804179E-01 -9.1424304E-02 -2.8951443E-02 14 2.8754374E-01 -1.1862210E-01 -4.7806247E-02 -1.4197238E-02 15 9.5996062E-02 2.1576242E-01 1.3884505E-01 4.5162811E-02 16 7.3665196E-03 5.2312415E-01 3.6713141E-01 1.2731719E-01 17 9.1050541E-04 3.4436571E-01 1.9924149E-01 5.7215742E-02 18 -4.5163604E-04 6.0620712E-02 -4.1364656E-01 -1.7587864E-01 19 1.2631607E-04 2.0822452E-03 -6.0605094E-01 -3.0971819E-01 20 -9.8084235E-05 4.2032608E-04 -2.0153863E-01 -1.4745829E-02 21 3.7130038E-05 -7.7163051E-05 -9.4456077E-03 4.8415833E-01 22 -1.5578521E-05 1.4530162E-05 -1.0266606E-03 5.1713165E-01 23 4.4838632E-06 -5.2546479E-06 1.7103860E-04 1.5645576E-01 *** Small-Component *** 24 6.0300704E-06 -2.8319747E-06 -1.2571314E-06 -3.9382960E-07 25 1.3932509E-05 -6.5389263E-06 -2.8927728E-06 -9.0018193E-07 26 3.4678717E-05 -1.6311959E-05 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1.3650278E-04 -5.7922637E-05 2 3.2021828E-04 -1.3437392E-04 3 1.6712343E-03 -7.1231203E-04 4 6.5692350E-03 -2.7849772E-03 5 2.4768180E-02 -1.0639387E-02 6 7.4962420E-02 -3.2406229E-02 7 1.8179439E-01 -8.0135032E-02 8 3.1793668E-01 -1.3678302E-01 9 3.5725342E-01 -1.3979863E-01 10 2.1263085E-01 3.3192297E-02 11 5.1651933E-02 3.3239186E-01 12 1.9779708E-03 4.5391929E-01 13 3.9023188E-04 2.7673045E-01 14 -1.4400359E-04 6.1402546E-02 *** Small-Component *** 15 4.4879556E-05 -1.9137799E-05 16 1.1561472E-04 -4.8412133E-05 17 4.2548764E-04 -1.8157951E-04 18 1.2805288E-03 -5.4268771E-04 19 3.4711915E-03 -1.4913420E-03 20 7.5708287E-03 -3.2727237E-03 21 1.3220749E-02 -5.8287779E-03 22 1.6655619E-02 -7.1677187E-03 23 1.3516785E-02 -5.2921038E-03 24 5.8414576E-03 9.1151076E-04 25 1.0100534E-03 6.5436763E-03 26 2.4527417E-05 6.3208206E-03 27 2.4901131E-06 2.6880961E-03 28 -1.7039645E-06 3.9232623E-04 3D+ 4D+ -2.5536979E+01 -2.6336607E+00 ------------ ------------ *** Large-Component *** 1 5.6964100E-05 -2.4265756E-05 2 2.3029603E-04 -9.6132884E-05 3 1.2832091E-03 -5.4662188E-04 4 5.7470037E-03 -2.4295697E-03 5 2.2784031E-02 -9.7668023E-03 6 7.1491277E-02 -3.0829010E-02 7 1.7678970E-01 -7.7800294E-02 8 3.1452325E-01 -1.3535827E-01 9 3.5997460E-01 -1.4215635E-01 10 2.1925449E-01 2.4543671E-02 11 5.4768856E-02 3.2322313E-01 12 2.2421348E-03 4.5537680E-01 13 4.1765884E-04 2.8600063E-01 14 -1.4673334E-04 6.5901282E-02 *** Small-Component *** 15 3.3996465E-05 -1.4489919E-05 16 9.7730364E-05 -4.0731378E-05 17 3.7521519E-04 -1.5976197E-04 18 1.1768963E-03 -4.9711497E-04 19 3.2792762E-03 -1.4048727E-03 20 7.3004093E-03 -3.1462067E-03 21 1.2938115E-02 -5.6909052E-03 22 1.6530308E-02 -7.1111309E-03 23 1.3652321E-02 -5.3903273E-03 24 6.0389632E-03 6.7320930E-04 25 1.0791679E-03 6.3643997E-03 26 3.1297277E-05 6.3423862E-03 27 4.0384822E-06 2.7786194E-03 28 -9.3290823E-07 4.2145581E-04 RADIAL MOMENTS Sym Orb S+ 1 7.38968E+03 5.81099E+01 2.66508E-02 9.63449E-04 4.40386E-05 2.43727E-06 2 8.75457E+02 1.36107E+01 1.14028E-01 1.53996E-02 2.36885E-03 4.10523E-04 3 1.78484E+02 4.88356E+00 3.04614E-01 1.06169E-01 4.08017E-02 1.71464E-02 4 3.78835E+01 1.94980E+00 7.17220E-01 5.80006E-01 5.12672E-01 4.91864E-01 5 5.01935E+00 6.81201E-01 1.90476E+00 4.11105E+00 9.87217E+00 2.62856E+01 P- 1 2.79586E+02 1.35539E+01 9.63068E-02 1.14176E-02 1.60978E-03 2.63634E-04 2 5.70401E+01 4.78405E+00 2.95233E-01 1.01271E-01 3.87219E-02 1.63500E-02 3 1.17213E+01 1.84053E+00 7.47302E-01 6.34910E-01 5.94215E-01 6.08736E-01 4 1.30477E+00 5.75727E-01 2.24129E+00 5.77242E+00 1.68202E+01 5.52393E+01 P+ 1 2.11667E+02 1.24657E+01 1.02049E-01 1.26911E-02 1.86756E-03 3.18299E-04 2 4.37326E+01 4.51862E+00 3.06562E-01 1.08999E-01 4.31672E-02 1.88670E-02 3 9.10432E+00 1.76005E+00 7.73114E-01 6.79425E-01 6.57896E-01 6.97570E-01 4 9.97668E-01 5.46082E-01 2.35127E+00 6.36143E+00 1.95006E+01 6.74094E+01 D- 1 2.38936E+01 4.36196E+00 2.77848E-01 9.12396E-02 3.47445E-02 1.51173E-02 2 4.21224E+00 1.51663E+00 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