Tallium [Xe]6s(2)5d(10)4f(14)6p(1) Nuclear Charge = 81.0000000000 Atomic Mass = 205.0000000000 Nuclear Radius = 1.341639d-04 Speed of Light = 137.0359895000 S+ P- P+ D- D+ F- F+ Number of Closed Shells 6 4 4 3 3 1 1 Open Shells 0 1 1 0 0 0 0 Conf Weight Open Shell Occupation Numbers 1 0.33333333 0.0 1.0 0.0 0.0 0.0 0.0 0.0 2 0.66666667 0.0 0.0 1.0 0.0 0.0 0.0 0.0 * Energies Total Energy = -2.027479791460085d+04 Mass Energy = -2.026627878786911d+04 Kinetic Energy = 4.373059395899429d+04 Potential Energy = -4.373911308572603d+04 Correction to Virial = 8.516301855374508d+00 Virials -/ = 1.000194809307638d+00 -(CORR )/ = -1.947447103819389d-04 -[+(CORR )]/ = 1.000000064597256d+00 NORMALIZED BASIS SPINORS SYMMETRY EXPONENT PARAM COEFFICIENTS SPECIES LARGE-COMPONENT SMALL-COMPONENT S+ 1 4.0742439782d+07 1.0000000000d+00 1.0000000000d+00 2 9.4715920491d+06 1.0000000000d+00 1.0000000000d+00 3 2.9944970983d+06 1.0000000000d+00 1.0000000000d+00 4 1.0517265091d+06 1.0000000000d+00 1.0000000000d+00 5 4.0168717893d+05 1.0000000000d+00 1.0000000000d+00 6 1.6115341725d+05 1.0000000000d+00 1.0000000000d+00 7 6.7482244213d+04 1.0000000000d+00 1.0000000000d+00 8 2.9251238338d+04 1.0000000000d+00 1.0000000000d+00 9 1.3096028567d+04 1.0000000000d+00 1.0000000000d+00 10 6.0375367514d+03 1.0000000000d+00 1.0000000000d+00 11 2.8587234711d+03 1.0000000000d+00 1.0000000000d+00 12 1.3865517752d+03 1.0000000000d+00 1.0000000000d+00 13 6.8641125885d+02 1.0000000000d+00 1.0000000000d+00 14 3.3586656928d+02 1.0000000000d+00 1.0000000000d+00 15 1.7305131987d+02 1.0000000000d+00 1.0000000000d+00 16 9.0777828327d+01 1.0000000000d+00 1.0000000000d+00 17 4.5507218571d+01 1.0000000000d+00 1.0000000000d+00 18 2.4471392644d+01 1.0000000000d+00 1.0000000000d+00 19 1.2045424868d+01 1.0000000000d+00 1.0000000000d+00 20 6.3599486401d+00 1.0000000000d+00 1.0000000000d+00 21 3.0322566147d+00 1.0000000000d+00 1.0000000000d+00 22 1.6252031881d+00 1.0000000000d+00 1.0000000000d+00 23 7.6393305072d-01 1.0000000000d+00 1.0000000000d+00 24 1.9699347389d-01 1.0000000000d+00 1.0000000000d+00 25 7.1428506540d-02 1.0000000000d+00 1.0000000000d+00 P- 1 2.0829524897d+07 1.0000000000d+00 1.0000000000d+00 2 4.1284409722d+06 1.0000000000d+00 1.0000000000d+00 3 1.0035959931d+06 1.0000000000d+00 1.0000000000d+00 4 2.7833061876d+05 1.0000000000d+00 1.0000000000d+00 5 8.5273677776d+04 1.0000000000d+00 1.0000000000d+00 6 2.8468717471d+04 1.0000000000d+00 1.0000000000d+00 7 1.0279772319d+04 1.0000000000d+00 1.0000000000d+00 8 3.9966735401d+03 1.0000000000d+00 1.0000000000d+00 9 1.6649535901d+03 1.0000000000d+00 1.0000000000d+00 10 7.3691579119d+02 1.0000000000d+00 1.0000000000d+00 11 3.4234562028d+02 1.0000000000d+00 1.0000000000d+00 12 1.6501668411d+02 1.0000000000d+00 1.0000000000d+00 13 7.9779619152d+01 1.0000000000d+00 1.0000000000d+00 14 4.0121822225d+01 1.0000000000d+00 1.0000000000d+00 15 2.0129577994d+01 1.0000000000d+00 1.0000000000d+00 16 9.9855823759d+00 1.0000000000d+00 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1.0000000000d+00 9 2.1888383713d+00 1.0000000000d+00 1.0000000000d+00 10 9.5911612394d-01 1.0000000000d+00 1.0000000000d+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -3.1641595d+03 -5.6884020d+02 -1.3836178d+02 -3.2291476d+01 -5.6181706d+00 -4.4853912d-01 ------------ ------------ ------------ ------------ ------------ ------------ *** Large Component *** 1 3.6430672d-04 -1.4294663d-04 6.8695599d-05 -3.4550016d-05 -1.5320520d-05 -4.8551371d-06 2 8.1991154d-04 -3.2341947d-04 1.5557340d-04 -7.8254305d-05 -3.4697471d-05 -1.0997270d-05 3 1.7069143d-03 -6.7709495d-04 3.2594769d-04 -1.6401456d-04 -7.2743785d-05 -2.3051144d-05 4 3.3305773d-03 -1.3333239d-03 6.4296135d-04 -3.2357409d-04 -1.4347238d-04 -4.5480052d-05 5 6.5473038d-03 -2.6489504d-03 1.2790880d-03 -6.4420148d-04 -2.8582258d-04 -9.0559375d-05 6 1.2862697d-02 -5.2800487d-03 2.5568732d-03 -1.2878214d-03 -5.7101896d-04 -1.8105936d-04 7 2.5469762d-02 -1.0632993d-02 5.1592360d-03 -2.6021300d-03 -1.1552375d-03 -3.6593404d-04 8 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-2.1021847d-04 1.0207395d-03 1.2776211d-01 3.9981037d-01 3.0166837d-01 1.1116793d-01 20 1.3588022d-04 -6.9694942d-04 -6.0067656d-03 9.7611010d-01 1.0668759d+00 3.9443757d-01 21 -7.5348164d-05 3.2803942d-04 3.8354353d-03 1.9165126d-01 8.0716542d-02 4.0541743d-02 22 3.9173798d-05 -1.5829210d-04 -1.8147922d-03 -8.7912682d-03 -9.7478419d-01 -5.7871584d-01 23 -1.1562756d-05 4.9274501d-05 4.2467089d-04 3.2012608d-03 -4.6465127d-01 -3.0935552d-01 24 2.3459573d-06 -9.6013586d-06 -9.0171579d-05 -3.6869375d-04 -1.4547197d-02 7.1485219d-01 25 -7.8118839d-07 3.1874090d-06 2.9853705d-05 1.1746175d-04 2.3913635d-03 5.3059575d-01 *** Small Component *** 26 4.6533356d-04 -1.8195944d-04 8.7384523d-05 -4.3948316d-05 -1.9490671d-05 -6.1756432d-06 27 1.4245892d-03 -5.5730812d-04 2.6775138d-04 -1.3461924d-04 -5.9673053d-05 -1.8916356d-05 28 2.7071939d-03 -1.0597815d-03 5.0897822d-04 -2.5602631d-04 -1.1356970d-04 -3.5977858d-05 29 5.1034303d-03 -2.0007542d-03 9.6175077d-04 -4.8350754d-04 -2.1427492d-04 -6.7942039d-05 30 8.9046788d-03 -3.4973790d-03 1.6803444d-03 -8.4550759d-04 -3.7516493d-04 -1.1882071d-04 31 1.5283872d-02 -6.0288486d-03 2.9016864d-03 -1.4589188d-03 -6.4641491d-04 -2.0501883d-04 32 2.5106524d-02 -9.9721101d-03 4.7999111d-03 -2.4168460d-03 -1.0728291d-03 -3.3969843d-04 33 3.9620765d-02 -1.5975315d-02 7.7213215d-03 -3.8851132d-03 -1.7212419d-03 -5.4611337d-04 34 5.8495269d-02 -2.4238026d-02 1.1754216d-02 -5.9316651d-03 -2.6354804d-03 -8.3421460d-04 35 7.8041567d-02 -3.4175555d-02 1.6782018d-02 -8.4728414d-03 -3.7548235d-03 -1.1922749d-03 36 8.7250246d-02 -4.2144400d-02 2.1032611d-02 -1.0700834d-02 -4.7686937d-03 -1.5083071d-03 37 7.0646191d-02 -3.9818009d-02 2.0620068d-02 -1.0525502d-02 -4.6663790d-03 -1.4863825d-03 38 3.2016001d-02 -1.5008843d-02 7.3154253d-03 -3.7593907d-03 -1.7059334d-03 -5.3032738d-04 39 4.9096092d-03 2.8295064d-02 -2.1624476d-02 1.2331094d-02 5.6922295d-03 1.7954230d-03 40 -6.5783677d-05 4.4801754d-02 -4.4244632d-02 2.6482987d-02 1.2171331d-02 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-2.1053023d-01 ------------ ------------ ------------ ------------ ------------ *** Large Component *** 1 1.1330647d-04 -5.7671934d-05 -2.8832945d-05 -1.2074288d-05 2.7864812d-06 2 3.3222993d-04 -1.6912119d-04 -8.4550966d-05 -3.5410758d-05 8.1716724d-06 3 7.9923478d-04 -4.0701540d-04 -2.0351734d-04 -8.5222456d-05 1.9668236d-05 4 1.7891902d-03 -9.1176746d-04 -4.5592290d-04 -1.9098521d-04 4.4070568d-05 5 3.9179461d-03 -2.0008777d-03 -1.0012690d-03 -4.1922228d-04 9.6766267d-05 6 8.6897058d-03 -4.4545729d-03 -2.2301998d-03 -9.3501063d-04 2.1571631d-04 7 2.0172831d-02 -1.0436174d-02 -5.2400884d-03 -2.1938186d-03 5.0662023d-04 8 4.8948294d-02 -2.5679674d-02 -1.2923178d-02 -5.4305845d-03 1.2525277d-03 9 1.1655854d-01 -6.2922709d-02 -3.1935664d-02 -1.3385309d-02 3.0939248d-03 10 2.4143816d-01 -1.3545785d-01 -6.9261839d-02 -2.9270936d-02 6.7493804d-03 11 3.6455855d-01 -2.1337497d-01 -1.1077618d-01 -4.6467686d-02 1.0768098d-02 12 3.0835893d-01 -1.2072153d-01 -5.0539877d-02 -2.0952756d-02 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7.4838574d-04 39 -6.6586150d-05 -6.0567883d-06 -3.1010606d-04 8.3284346d-03 -2.8314031d-03 40 -4.6730969d-05 1.8045785d-06 1.6547606d-05 3.7237426d-03 -9.8657157d-04 41 -2.1364323d-05 9.1034280d-08 2.6540475d-06 1.1116976d-04 1.7581171d-03 42 -7.9302072d-06 1.3230913d-07 1.5043072d-06 -8.3096505d-06 1.3568842d-03 2P+ 3P+ 4P+ 5P+ 6P+ -4.6891615d+02 -1.1052718d+02 -2.3426554d+01 -3.2164548d+00 -1.7640343d-01 ------------ ------------ ------------ ------------ ------------ *** Large Component *** 1 3.1894182d-05 -1.6835234d-05 -8.4596117d-06 3.4671019d-06 -7.3243309d-07 2 1.9772691d-04 -1.0470997d-04 -5.2629987d-05 2.1580651d-05 -4.5578042d-06 3 9.5083227d-04 -5.0552510d-04 -2.5448685d-04 1.0433338d-04 -2.2042990d-05 4 3.9091129d-03 -2.0889247d-03 -1.0521571d-03 4.3166284d-04 -9.1169179d-05 5 1.4038569d-02 -7.5704015d-03 -3.8243462d-03 1.5690457d-03 -3.3154473d-04 6 4.3757815d-02 -2.3997150d-02 -1.2163006d-02 4.9974431d-03 -1.0556518d-03 7 1.1481123d-01 -6.4916248d-02 -3.3181752d-02 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-1.0650827d-02 2.2878646d-03 34 3.7681128d-05 1.2415359d-02 5.7642616d-03 -1.9697499d-03 3.9747788d-04 35 -1.6435770d-05 1.5383919d-03 -1.4156558d-02 9.0927043d-03 -2.0338393d-03 36 4.7279876d-06 2.3436500d-05 -1.1345704d-02 8.4427686d-03 -1.9473083d-03 37 -1.9491363d-06 6.1673141d-06 -1.8831601d-03 -2.5438501d-03 7.8792607d-04 38 7.3070532d-07 -2.3269223d-06 -1.7395341d-05 -6.3843054d-03 1.8334212d-03 39 -1.7105108d-07 2.4667261d-07 -1.1736911d-05 -2.5181276d-03 8.2235531d-04 40 3.6277450d-08 -8.0860248d-08 1.8217218d-06 -1.6762801d-04 -7.9513434d-04 41 -7.3673165d-09 1.6787067d-08 -3.9597554d-07 4.2046099d-06 -1.4239705d-03 42 8.7711369d-10 -2.3006887d-09 7.7118603d-08 -1.1575028d-06 -6.0249441d-04 3D- 4D- 5D- -9.3082863d+01 -1.5842645d+01 -8.9364321d-01 ------------ ------------ ------------ *** Large Component *** 1 1.8630424d-04 -9.7754237d-05 3.2537578d-05 2 1.1251379d-03 -5.9105790d-04 1.9632612d-04 3 5.8356784d-03 -3.0873421d-03 1.0297866d-03 4 2.5177370d-02 -1.3405156d-02 4.4631314d-03 5 8.4848860d-02 -4.5975450d-02 1.5406987d-02 6 2.1195371d-01 -1.1636938d-01 3.8943059d-02 7 3.5697274d-01 -1.9213364d-01 6.4445535d-02 8 3.5074984d-01 -1.3493267d-01 3.9863108d-02 9 1.5683034d-01 1.8743426d-01 -8.4948200d-02 10 2.2783778d-02 4.8491423d-01 -2.0506630d-01 11 1.1390008d-03 3.8250891d-01 -1.2070589d-01 12 3.5979634d-05 9.5488984d-02 2.3660552d-01 13 3.5713005d-05 3.0696632d-03 4.7981673d-01 14 -1.6495414d-05 8.1763911d-04 3.8276951d-01 15 4.9002445d-06 -2.0606194d-04 1.2324395d-01 *** Small Component *** 16 7.4363041d-05 -3.9128476d-05 1.3056835d-05 17 4.4231302d-04 -2.3245909d-04 7.7147020d-05 18 1.8312781d-03 -9.6951957d-04 3.2355210d-04 19 5.7812251d-03 -3.0785810d-03 1.0248531d-03 20 1.3889432d-02 -7.5273575d-03 2.5227726d-03 21 2.4756697d-02 -1.3599132d-02 4.5512267d-03 22 2.9956015d-02 -1.6140635d-02 5.4151163d-03 23 2.1302294d-02 -8.2201072d-03 2.4313085d-03 24 6.8617174d-03 8.2432277d-03 -3.7350497d-03 25 6.9054761d-04 1.5311464d-02 -6.4748743d-03 26 1.1720012d-05 8.6043097d-03 -2.7168030d-03 27 -5.4124832d-06 1.4913007d-03 3.7001026d-03 28 -2.0916359d-06 3.1486681d-05 5.1315278d-03 29 -1.0186205d-06 5.3051656d-06 2.7059044d-03 30 -4.1098490d-07 -1.1498849d-06 5.4645499d-04 3D+ 4D+ 5D+ -8.9459070d+01 -1.5045585d+01 -8.0532416d-01 ------------ ------------ ------------ *** Large Component *** 1 1.9556793d-04 -1.0288303d-04 3.3542888d-05 2 1.7832194d-03 -9.3845119d-04 3.0469206d-04 3 1.0334426d-02 -5.4867098d-03 1.7906251d-03 4 4.2657400d-02 -2.2847322d-02 7.4448820d-03 5 1.2848584d-01 -7.0308759d-02 2.3075695d-02 6 2.7181230d-01 -1.4913427d-01 4.8777360d-02 7 3.7507642d-01 -1.9391426d-01 6.3073765d-02 8 2.8015761d-01 -4.0543492d-02 3.0001159d-03 9 9.1055416d-02 3.0399606d-01 -1.2603509d-01 10 8.9379589d-03 4.8566829d-01 -2.0083961d-01 11 6.8423431d-04 2.8785827d-01 -4.1880556d-02 12 -3.5502225d-05 5.4511335d-02 3.0174613d-01 13 3.9086598d-05 1.2077836d-03 4.6632748d-01 14 -1.6963615d-05 4.3058627d-04 3.3732032d-01 15 4.8505781d-06 -1.0500550d-04 1.0054389d-01 *** Small Component *** 16 1.4080028d-04 -7.3933242d-05 2.4108845d-05 17 7.9269478d-04 -4.1612363d-04 1.3501590d-04 18 3.0118774d-03 -1.5955723d-03 5.2056443d-04 19 8.4847128d-03 -4.5350138d-03 1.4771335d-03 20 1.7934527d-02 -9.7966061d-03 3.2143594d-03 21 2.7158688d-02 -1.4879586d-02 4.8654171d-03 22 2.7164895d-02 -1.4033139d-02 4.5642265d-03 23 1.4842735d-02 -2.1631432d-03 1.6644413d-04 24 3.5175490d-03 1.1712062d-02 -4.8546333d-03 25 2.5011878d-04 1.3539079d-02 -5.5976599d-03 26 1.3478383d-05 5.7690866d-03 -8.3998566d-04 27 -3.8128332d-07 7.6444775d-04 4.2302514d-03 28 3.2185990d-07 1.1651108d-05 4.4792219d-03 29 -8.6670205d-08 2.7323170d-06 2.1547313d-03 30 1.3150270d-08 -4.1930551d-07 4.0676679d-04 4F- -5.1898999d+00 ------------ *** Large Component *** 1 4.1327469d-04 2 3.7773038d-03 3 2.0546998d-02 4 7.1552886d-02 5 1.7570235d-01 6 2.9358533d-01 7 3.4313338d-01 8 2.7108995d-01 9 1.2562536d-01 10 2.3960237d-02 *** Small Component *** 11 1.1726353d-04 12 7.0899859d-04 13 2.6091391d-03 14 6.3523843d-03 15 1.1115409d-02 16 1.3411216d-02 17 1.1314103d-02 18 6.4073344d-03 19 2.0811428d-03 20 2.6267061d-04 4F+ -5.0138858d+00 ------------ *** Large Component *** 1 4.3478609d-04 2 4.1359161d-03 3 2.2146565d-02 4 7.5537680d-02 5 1.8091664d-01 6 2.9542957d-01 7 3.4097370d-01 8 2.6549509d-01 9 1.2120251d-01 10 2.2778629d-02 *** Small Component *** 11 1.3207260d-04 12 7.6899479d-04 13 2.7458724d-03 14 6.5230577d-03 15 1.1151084d-02 16 1.3160889d-02 17 1.0976104d-02 18 6.1329446d-03 19 1.9629134d-03 20 2.4421941d-04 * Radial Moments Sym Orb S+ 1 2.47763d+04 9.93507d+01 1.63196d-02 3.68942d-04 1.06702d-05 3.76297d-07 2 3.56468d+03 2.45324d+01 6.80376d-02 5.54474d-03 5.16138d-04 5.41712d-05 3 8.19461d+02 9.01274d+00 1.76701d-01 3.58675d-02 8.01243d-03 1.95127d-03 4 2.08665d+02 3.80339d+00 3.91403d-01 1.72954d-01 8.31452d-02 4.31111d-02 5 4.16469d+01 1.53571d+00 8.89277d-01 8.86446d-01 9.64669d-01 1.14007d+00 6 4.30741d+00 4.97092d-01 2.57846d+00 7.61795d+00 2.53725d+01 9.46547d+01 P- 1 1.12112d+03 2.44436d+01 5.59645d-02 3.92189d-03 3.29297d-04 3.22479d-05 2 2.63743d+02 8.91055d+00 1.67367d-01 3.27216d-02 7.11665d-03 1.70382d-03 3 6.62141d+01 3.69151d+00 3.93477d-01 1.76184d-01 8.63121d-02 4.58735d-02 4 1.21603d+01 1.41391d+00 9.54987d-01 1.02982d+00 1.22429d+00 1.60241d+00 5 7.36672d-01 3.63268d-01 3.47280d+00 1.39387d+01 6.32442d+01 3.18992d+02 P+ 1 5.29775d+02 1.96774d+01 6.47192d-02 5.10186d-03 4.75220d-04 5.11636d-05 2 1.26868d+02 7.67145d+00 1.83278d-01 3.90312d-02 9.22593d-03 2.39520d-03 3 3.24201d+01 3.28186d+00 4.26082d-01 2.06328d-01 1.09306d-01 6.28293d-02 4 5.93864d+00 1.26626d+00 1.04422d+00 1.23222d+00 1.60566d+00 2.30348d+00 5 3.36614d-01 3.13249d-01 4.00638d+00 1.87307d+01 1.00496d+02 6.10782d+02 D- 1 7.15574d+01 7.55112d+00 1.59636d-01 2.99257d-02 6.46563d-03 1.58745d-03 2 1.71941d+01 3.07878d+00 4.32395d-01 2.15967d-01 1.20018d-01 7.35823d-02 3 2.26797d+00 9.79896d-01 1.33860d+00 2.09266d+00 3.76062d+00 7.74747d+00 D+ 1 6.52450d+01 7.27243d+00 1.64481d-01 3.16418d-02 6.99922d-03 1.75690d-03 2 1.56631d+01 2.98167d+00 4.43258d-01 2.26724d-01 1.29005d-01 8.09715d-02 3 2.00868d+00 9.38040d-01 1.39394d+00 2.27489d+00 4.28258d+00 9.27734d+00 F- 1 8.53906d+00 2.62806d+00 4.62354d-01 2.56134d-01 1.67971d-01 1.28999d-01 F+ 1 8.28168d+00 2.59087d+00 4.68600d-01 2.63039d-01 1.74807d-01 1.36098d-01 Lead [Xe]6s(2)5d(10)4f(14)6p(2) Nuclear Charge = 82.0000000000 Atomic Mass = 208.0000000000 Nuclear Radius = 1.347477d-04 Speed of Light = 137.0359895000 S+ P- P+ D- D+ F- F+ Number of Closed Shells 6 4 4 3 3 1 1 Open Shells 0 1 1 0 0 0 0 Conf Weight Open Shell Occupation Numbers 1 0.06666667 0.0 2.0 0.0 0.0 0.0 0.0 0.0 2 0.53333333 0.0 1.0 1.0 0.0 0.0 0.0 0.0 3 0.40000000 0.0 0.0 2.0 0.0 0.0 0.0 0.0 * Energies Total Energy = -2.091365513989329d+04 Mass Energy = -2.090423688924322d+04 Kinetic Energy = 4.521328955004356d+04 Potential Energy = -4.522270780069362d+04 Correction to Virial = 9.415250286909886d+00 Virials -/ = 1.000208307131460d+00 -(CORR )/ = -2.082407712557339d-04 -[+(CORR )]/ = 1.000000066360205d+00 NORMALIZED BASIS SPINORS SYMMETRY EXPONENT PARAM COEFFICIENTS SPECIES LARGE-COMPONENT SMALL-COMPONENT S+ 1 4.0453547868d+07 1.0000000000d+00 1.0000000000d+00 2 9.4094837113d+06 1.0000000000d+00 1.0000000000d+00 3 2.9806436292d+06 1.0000000000d+00 1.0000000000d+00 4 1.0507651470d+06 1.0000000000d+00 1.0000000000d+00 5 4.0321886329d+05 1.0000000000d+00 1.0000000000d+00 6 1.6234715321d+05 1.0000000000d+00 1.0000000000d+00 7 6.8181342727d+04 1.0000000000d+00 1.0000000000d+00 8 2.9645338310d+04 1.0000000000d+00 1.0000000000d+00 9 1.3312237191d+04 1.0000000000d+00 1.0000000000d+00 10 6.1521007045d+03 1.0000000000d+00 1.0000000000d+00 11 2.9198616685d+03 1.0000000000d+00 1.0000000000d+00 12 1.4198698175d+03 1.0000000000d+00 1.0000000000d+00 13 7.0463265656d+02 1.0000000000d+00 1.0000000000d+00 14 3.4564770325d+02 1.0000000000d+00 1.0000000000d+00 15 1.7840156851d+02 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4.3945991d-01 -1.1557383d-01 16 -1.4570219d-04 4.5864983d-04 -1.3513647d-01 -1.9524465d-01 6.6984172d-02 17 7.9698780d-05 -2.5771303d-04 -1.6890913d-03 -6.6020090d-01 2.3235972d-01 18 -2.8528049d-05 4.4677931d-05 -1.7124383d-03 -3.6291490d-01 1.2567174d-01 19 1.0914533d-05 -2.3024336d-05 4.6557436d-04 -3.4287777d-02 -2.8047622d-01 20 -4.9245789d-06 1.0342521d-05 -1.8434833d-04 2.3648443d-03 -5.7708235d-01 21 1.4725942d-06 -2.8715844d-06 6.1103160d-05 -1.0090249d-03 -3.1725541d-01 *** Small Component *** 22 5.5254678d-05 -2.9137838d-05 -1.4695996d-05 6.1322830d-06 -1.4945404d-06 23 2.6837383d-04 -1.4159922d-04 -7.1352817d-05 2.9798573d-05 -7.2771466d-06 24 9.5740568d-04 -5.0611422d-04 -2.5539860d-04 1.0659232d-04 -2.5982593d-05 25 2.8351912d-03 -1.5043456d-03 -7.5914054d-04 3.1712131d-04 -7.7439650d-05 26 7.2222894d-03 -3.8648879d-03 -1.9561390d-03 8.1698688d-04 -1.9917648d-04 27 1.5946535d-02 -8.6782534d-03 -4.4067822d-03 1.8435521d-03 -4.5029270d-04 28 2.9778624d-02 -1.6716314d-02 -8.5624089d-03 3.5856711d-03 -8.7438978d-04 29 4.4198839d-02 -2.5985769d-02 -1.3457232d-02 5.6567544d-03 -1.3831592d-03 30 4.6641171d-02 -2.8721107d-02 -1.5091779d-02 6.3530167d-03 -1.5486679d-03 31 2.8735577d-02 -1.3122892d-02 -5.9860640d-03 2.4431255d-03 -5.9961394d-04 32 7.6510932d-03 1.5869534d-02 1.2838475d-02 -5.9528180d-03 1.4839860d-03 33 4.7072414d-04 2.7758341d-02 2.3639020d-02 -1.1072985d-02 2.7316404d-03 34 3.7735109d-05 1.2679832d-02 5.9515494d-03 -2.0894574d-03 5.1339774d-04 35 -1.6565513d-05 1.5853405d-03 -1.4423433d-02 9.5168176d-03 -2.5088895d-03 36 4.7910532d-06 2.2786996d-05 -1.1578784d-02 8.8242129d-03 -2.3206469d-03 37 -1.9740968d-06 6.3770079d-06 -1.9197958d-03 -2.7705261d-03 9.5046545d-04 38 7.5172632d-07 -2.5264075d-06 -1.6958073d-05 -6.6487489d-03 2.3398952d-03 39 -1.7535147d-07 2.7997232d-07 -1.1839519d-05 -2.5035897d-03 8.6692213d-04 40 3.7455905d-08 -8.5765756d-08 1.9510454d-06 -1.4308251d-04 -1.1702319d-03 41 -9.1255243d-09 2.2393293d-08 -4.8760325d-07 6.2138571d-06 -1.5150096d-03 42 1.1324772d-09 -3.0978205d-09 9.9871405d-08 -1.6322905d-06 -5.1270372d-04 3D- 4D- 5D- -9.6809863d+01 -1.6917799d+01 -1.1379744d+00 ------------ ------------ ------------ *** Large Component *** 1 1.8143277d-04 9.5805645d-05 3.3276823d-05 2 1.0840488d-03 5.7325002d-04 1.9878652d-04 3 5.5737414d-03 2.9670842d-03 1.0326765d-03 4 2.4049125d-02 1.2886885d-02 4.4794337d-03 5 8.1442170d-02 4.4382718d-02 1.5519475d-02 6 2.0526951d-01 1.1345046d-01 3.9647691d-02 7 3.5096429d-01 1.9057093d-01 6.6715978d-02 8 3.5478114d-01 1.4346981d-01 4.5064569d-02 9 1.6642724d-01 -1.6819064d-01 -8.1599430d-02 10 2.6291120d-02 -4.7677284d-01 -2.1147950d-01 11 1.2502151d-03 -3.9555664d-01 -1.3847256d-01 12 8.0094060d-05 -1.0632138d-01 2.2542916d-01 13 2.0033253d-05 -4.4516469d-03 4.8863606d-01 14 -1.0514614d-05 -7.5924541d-04 3.8620378d-01 15 3.4740163d-06 2.0233121d-04 1.1464064d-01 *** Small Component *** 16 7.2432644d-05 3.8349265d-05 1.3349646d-05 17 4.2980007d-04 2.2741579d-04 7.8804890d-05 18 1.7812484d-03 9.4889752d-04 3.3041625d-04 19 5.6539378d-03 3.0302934d-03 1.0532084d-03 20 1.3685914d-02 7.4596129d-03 2.6086738d-03 21 2.4649066d-02 1.3630232d-02 4.7636955d-03 22 3.0323722d-02 1.6483378d-02 5.7718776d-03 23 2.2220356d-02 9.0123270d-03 2.8338956d-03 24 7.5283893d-03 -7.6434394d-03 -3.7073628d-03 25 8.2930365d-04 -1.5604494d-02 -6.9212584d-03 26 1.4053060d-05 -9.2583488d-03 -3.2428326d-03 27 -5.3045042d-06 -1.7406874d-03 3.6949322d-03 28 -2.5839912d-06 -4.8741321d-05 5.5180831d-03 29 -1.1057576d-06 -5.1819416d-06 2.9124034d-03 30 -5.0820261d-07 1.2550943d-06 5.4758750d-04 3D+ 4D+ 5D+ -9.2969433d+01 -1.6064767d+01 -1.0352197d+00 ------------ ------------ ------------ *** Large Component *** 1 1.8787742d-04 -9.9511493d-05 3.3991498d-05 2 1.7078137d-03 -9.0487586d-04 3.0788352d-04 3 9.8939008d-03 -5.2880215d-03 1.8082356d-03 4 4.0978607d-02 -2.2090935d-02 7.5437110d-03 5 1.2416554d-01 -6.8374945d-02 2.3514731d-02 6 2.6532239d-01 -1.4665603d-01 5.0283828d-02 7 3.7222016d-01 -1.9496926d-01 6.6526140d-02 8 2.8671027d-01 -5.2811068d-02 7.8573689d-03 9 9.8271854d-02 2.8740710d-01 -1.2631212d-01 10 1.0555037d-02 4.8483011d-01 -2.1147120d-01 11 7.0851812d-04 3.0154679d-01 -5.7936909d-02 12 -2.0079112d-05 6.1607416d-02 2.9776872d-01 13 3.4905479d-05 1.7152205d-03 4.7668411d-01 14 -1.5566315d-05 4.3128185d-04 3.3549568d-01 15 4.5861687d-06 -1.1478953d-04 9.0497861d-02 *** Small Component *** 16 1.3755805d-04 -7.2720213d-05 2.4843868d-05 17 7.7494916d-04 -4.0954258d-04 1.3925167d-04 18 2.9501499d-03 -1.5732268d-03 5.3778402d-04 19 8.3505022d-03 -4.4919839d-03 1.5332684d-03 20 1.7774573d-02 -9.7700536d-03 3.3589580d-03 21 2.7219071d-02 -1.5022617d-02 5.1493801d-03 22 2.7716276d-02 -1.4505432d-02 4.9490640d-03 23 1.5647561d-02 -2.8968193d-03 4.3654925d-04 24 3.9216906d-03 1.1436237d-02 -5.0248992d-03 25 3.0597041d-04 1.4002259d-02 -6.1060630d-03 26 1.4516898d-05 6.2867099d-03 -1.2085036d-03 27 -1.6531824d-07 9.0527839d-04 4.3739229d-03 28 2.9392320d-07 1.7471670d-05 4.8391054d-03 29 -8.1717531d-08 2.9234972d-06 2.2905572d-03 30 1.2784939d-08 -4.9460200d-07 3.9487883d-04 4F- -5.9324180d+00 ------------ *** Large Component *** 1 4.2928981d-04 2 3.8975664d-03 3 2.1134340d-02 4 7.3318072d-02 5 1.7873007d-01 6 2.9572902d-01 7 3.4209063d-01 8 2.6609630d-01 9 1.2062675d-01 10 2.2028866d-02 *** Small Component *** 11 1.2275374d-04 12 7.3955937d-04 13 2.7164466d-03 14 6.5936245d-03 15 1.1467716d-02 16 1.3725865d-02 17 1.1494135d-02 18 6.4357182d-03 19 2.0565232d-03 20 2.5068390d-04 4F+ -5.7405868d+00 ------------ *** Large Component *** 1 4.4104141d-04 2 4.1930521d-03 3 2.2438490d-02 4 7.6476654d-02 5 1.8244814d-01 6 2.9632773d-01 7 3.3994227d-01 8 2.6207625d-01 9 1.1782390d-01 10 2.1401527d-02 *** Small Component *** 11 1.3587356d-04 12 7.9131925d-04 13 2.8262097d-03 14 6.7138475d-03 15 1.1446569d-02 16 1.3462677d-02 17 1.1194677d-02 18 6.2200123d-03 19 1.9720311d-03 20 2.3936633d-04 * Radial Moments Sym Orb S+ 1 2.59053d+04 1.01239d+02 1.60541d-02 3.57429d-04 1.01865d-05 3.54132d-07 2 3.75838d+03 2.50500d+01 6.68829d-02 5.36147d-03 4.91024d-04 5.07103d-05 3 8.66367d+02 9.19899d+00 1.73687d-01 3.46624d-02 7.61298d-03 1.82273d-03 4 2.21937d+02 3.88803d+00 3.83977d-01 1.66457d-01 7.84872d-02 3.99028d-02 5 4.53759d+01 1.58480d+00 8.64429d-01 8.36970d-01 8.83437d-01 1.01080d+00 6 5.27133d+00 5.37275d-01 2.39106d+00 6.51816d+00 1.99197d+01 6.78745d+01 P- 1 1.18264d+03 2.49601d+01 5.49508d-02 3.78485d-03 3.12497d-04 3.01005d-05 2 2.79267d+02 9.09636d+00 1.64405d-01 3.15835d-02 6.74984d-03 1.58782d-03 3 7.05727d+01 3.77623d+00 3.85630d-01 1.69228d-01 8.12272d-02 4.22839d-02 4 1.33518d+01 1.46480d+00 9.24461d-01 9.63776d-01 1.10509d+00 1.39028d+00 5 1.03820d+00 4.14955d-01 3.05264d+00 1.07174d+01 4.24321d+01 1.86962d+02 P+ 1 5.44972d+02 1.99546d+01 6.38295d-02 4.96288d-03 4.55958d-04 4.84185d-05 2 1.31009d+02 7.79326d+00 1.80518d-01 3.78687d-02 8.81677d-03 2.25434d-03 3 3.37202d+01 3.34521d+00 4.18427d-01 1.98968d-01 1.03469d-01 5.83532d-02 4 6.38321d+00 1.31004d+00 1.01115d+00 1.15359d+00 1.44957d+00 1.99925d+00 5 4.64258d-01 3.58108d-01 3.51473d+00 1.43355d+01 6.68564d+01 3.53247d+02 D- 1 7.39184d+01 7.67347d+00 1.57098d-01 2.89799d-02 6.16067d-03 1.48806d-03 2 1.79308d+01 3.14402d+00 4.23553d-01 2.07155d-01 1.12646d-01 6.75166d-02 3 2.53939d+00 1.03636d+00 1.26397d+00 1.85286d+00 3.09500d+00 5.87598d+00 D+ 1 6.72283d+01 7.38279d+00 1.61993d-01 3.06862d-02 6.68275d-03 1.65117d-03 2 1.62976d+01 3.04279d+00 4.34381d-01 2.17649d-01 1.21221d-01 7.44062d-02 3 2.25803d+00 9.94674d-01 1.31184d+00 1.99892d+00 3.47928d+00 6.90273d+00 F- 1 8.98026d+00 2.69849d+00 4.48966d-01 2.40724d-01 1.52251d-01 1.12350d-01 F+ 1 8.70557d+00 2.65988d+00 4.55052d-01 2.47211d-01 1.58419d-01 1.18476d-01 -------------------------------------------------------------------------------- Bismuth [Xe]6s(2)5d(10)4f(14)6p(3) Nuclear Charge = 83.0000000000 Atomic Mass = 209.0000000000 Nuclear Radius = 1.349410d-04 Speed of Light = 137.0359895000 S+ P- P+ D- D+ F- F+ Number of Closed Shells 6 4 4 3 3 1 1 Open Shells 0 1 1 0 0 0 0 Conf Weight Open Shell Occupation Numbers 1 0.20000000 0.0 2.0 1.0 0.0 0.0 0.0 0.0 2 0.60000000 0.0 1.0 2.0 0.0 0.0 0.0 0.0 3 0.20000000 0.0 0.0 3.0 0.0 0.0 0.0 0.0 * Energies Total Energy = -2.156563983592384d+04 Mass Energy = -2.155527561573769d+04 Kinetic Energy = 4.673427315607954d+04 Potential Energy = -4.674463737626568d+04 Correction to Virial = 1.036087830102279d+01 Virials -/ = 1.000221769153262d+00 -(CORR )/ = -2.216976450328076d-04 -[+(CORR )]/ = 1.000000071508229d+00 NORMALIZED BASIS SPINORS SYMMETRY EXPONENT PARAM COEFFICIENTS SPECIES LARGE-COMPONENT SMALL-COMPONENT S+ 1 4.0400565926d+07 1.0000000000d+00 1.0000000000d+00 2 9.3972895659d+06 1.0000000000d+00 1.0000000000d+00 3 2.9786488364d+06 1.0000000000d+00 1.0000000000d+00 4 1.0503867775d+06 1.0000000000d+00 1.0000000000d+00 5 4.0336795189d+05 1.0000000000d+00 1.0000000000d+00 6 1.6266322137d+05 1.0000000000d+00 1.0000000000d+00 7 6.8451661021d+04 1.0000000000d+00 1.0000000000d+00 8 2.9808113982d+04 1.0000000000d+00 1.0000000000d+00 9 1.3396557670d+04 1.0000000000d+00 1.0000000000d+00 10 6.1943179118d+03 1.0000000000d+00 1.0000000000d+00 11 2.9403794068d+03 1.0000000000d+00 1.0000000000d+00 12 1.4297012017d+03 1.0000000000d+00 1.0000000000d+00 13 7.0973356541d+02 1.0000000000d+00 1.0000000000d+00 14 3.4851239241d+02 1.0000000000d+00 1.0000000000d+00 15 1.7973212758d+02 1.0000000000d+00 1.0000000000d+00 16 9.4532608600d+01 1.0000000000d+00 1.0000000000d+00 17 4.7797153884d+01 1.0000000000d+00 1.0000000000d+00 18 2.5689311214d+01 1.0000000000d+00 1.0000000000d+00 19 1.2606347232d+01 1.0000000000d+00 1.0000000000d+00 20 6.6782732972d+00 1.0000000000d+00 1.0000000000d+00 21 3.0658023107d+00 1.0000000000d+00 1.0000000000d+00 22 1.7183410367d+00 1.0000000000d+00 1.0000000000d+00 23 8.4725466806d-01 1.0000000000d+00 1.0000000000d+00 24 2.5839306251d-01 1.0000000000d+00 1.0000000000d+00 25 9.7337705455d-02 1.0000000000d+00 1.0000000000d+00 P- 1 2.2743974435d+07 1.0000000000d+00 1.0000000000d+00 2 4.6749733411d+06 1.0000000000d+00 1.0000000000d+00 3 1.1584669861d+06 1.0000000000d+00 1.0000000000d+00 4 3.2462558962d+05 1.0000000000d+00 1.0000000000d+00 5 1.0032251600d+05 1.0000000000d+00 1.0000000000d+00 6 3.3690904200d+04 1.0000000000d+00 1.0000000000d+00 7 1.2177673520d+04 1.0000000000d+00 1.0000000000d+00 8 4.7226634064d+03 1.0000000000d+00 1.0000000000d+00 9 1.9587766426d+03 1.0000000000d+00 1.0000000000d+00 10 8.6256674141d+02 1.0000000000d+00 1.0000000000d+00 11 3.9868002134d+02 1.0000000000d+00 1.0000000000d+00 12 1.9133484056d+02 1.0000000000d+00 1.0000000000d+00 13 9.2787856300d+01 1.0000000000d+00 1.0000000000d+00 14 4.6665901590d+01 1.0000000000d+00 1.0000000000d+00 15 2.3713744951d+01 1.0000000000d+00 1.0000000000d+00 16 1.1689082696d+01 1.0000000000d+00 1.0000000000d+00 17 5.8172420470d+00 1.0000000000d+00 1.0000000000d+00 18 2.4333203767d+00 1.0000000000d+00 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1.9381007d-03 -1.4077683d-02 9.4634642d-03 2.7680804d-03 36 5.0713027d-06 2.6581595d-05 -1.2492870d-02 9.7666641d-03 2.8439386d-03 37 -2.1917918d-06 9.5560427d-06 -2.2800010d-03 -2.3186679d-03 -9.0963150d-04 38 8.4999225d-07 -3.6374066d-06 -3.4068189d-05 -7.0604195d-03 -2.8026933d-03 39 -2.0317776d-07 5.2475604d-07 -1.3037504d-05 -2.7772751d-03 -1.0742387d-03 40 4.4660451d-08 -1.4336063d-07 2.2552772d-06 -1.6555019d-04 1.4045675d-03 41 -1.0985713d-08 3.9106681d-08 -5.5010845d-07 6.3788749d-06 1.6474783d-03 42 1.2786690d-09 -5.3296193d-09 1.1795603d-07 -2.0106723d-06 5.1019330d-04 3D- 4D- 5D- -1.0062146d+02 -1.8025745d+01 -1.3886499d+00 ------------ ------------ ------------ *** Large Component *** 1 1.8046317d-04 9.5892946d-05 3.4571402d-05 2 1.0623887d-03 5.6542709d-04 2.0356214d-04 3 5.4349555d-03 2.9111070d-03 1.0516290d-03 4 2.3378507d-02 1.2607323d-02 4.5497896d-03 5 7.9146645d-02 4.3385932d-02 1.5747152d-02 6 2.0059066d-01 1.1157888d-01 4.0491659d-02 7 3.4659096d-01 1.8967556d-01 6.8939962d-02 8 3.5708139d-01 1.4917310d-01 4.9118673d-02 9 1.7318950d-01 -1.5487114d-01 -7.9719759d-02 10 2.9043553d-02 -4.7052743d-01 -2.1789797d-01 11 1.3439658d-03 -4.0406849d-01 -1.5194661d-01 12 1.1670986d-04 -1.1407857d-01 2.1975059d-01 13 5.0357139d-06 -5.5215018d-03 4.9683141d-01 14 -4.5984572d-06 -7.0454678d-04 3.8574842d-01 15 2.1772833d-06 2.0393727d-04 1.0679159d-01 *** Small Component *** 16 7.1987411d-05 3.8349194d-05 1.3854459d-05 17 4.2423474d-04 2.2594897d-04 8.1293051d-05 18 1.7622937d-03 9.4462280d-04 3.4140124d-04 19 5.6017128d-03 3.0215189d-03 1.0903203d-03 20 1.3592916d-02 7.4526144d-03 2.7052124d-03 21 2.4658448d-02 1.3723357d-02 4.9805267d-03 22 3.0695631d-02 1.6816928d-02 6.1137257d-03 23 2.2954199d-02 9.6173814d-03 3.1701017d-03 24 8.0572701d-03 -7.2357037d-03 -3.7236313d-03 25 9.4648360d-04 -1.5873681d-02 -7.3505367d-03 26 1.6085011d-05 -9.7795803d-03 -3.6794703d-03 27 -5.2245572d-06 -1.9420455d-03 3.7448174d-03 28 -3.0641674d-06 -6.3539820d-05 5.8709641d-03 29 -1.1810985d-06 -4.9986865d-06 3.0709371d-03 30 -6.0598754d-07 1.3778279d-06 5.4253821d-04 3D+ 4D+ 5D+ -9.6554600d+01 -1.7113597d+01 -1.2701672d+00 ------------ ------------ ------------ *** Large Component *** 1 1.8291090d-04 9.7524854d-05 3.4679172d-05 2 1.6571423d-03 8.8391367d-04 3.1316808d-04 3 9.6027401d-03 5.1661954d-03 1.8391631d-03 4 3.9837635d-02 2.1615741d-02 7.6862964d-03 5 1.2105161d-01 6.7082033d-02 2.4020089d-02 6 2.6034660d-01 1.4493154d-01 5.1758300d-02 7 3.6970000d-01 1.9576979d-01 6.9597206d-02 8 2.9133710d-01 6.1721321d-02 1.1697547d-02 9 1.0387691d-01 -2.7490129d-01 -1.2715172d-01 10 1.1958200d-02 -4.8352251d-01 -2.2093394d-01 11 7.1922826d-04 -3.1134706d-01 -7.0598175d-02 12 -1.5774047d-06 -6.7265401d-02 2.9603801d-01 13 2.7929760d-05 -2.2209917d-03 4.8615684d-01 14 -1.2859925d-05 -4.0328848d-04 3.3201867d-01 15 4.0313424d-06 1.1985952d-04 8.2375712d-02 *** Small Component *** 16 1.3579592d-04 7.2261874d-05 2.5698900d-05 17 7.6536806d-04 4.0716165d-04 1.4415510d-04 18 2.9199208d-03 1.5672418d-03 5.5773642d-04 19 8.2880612d-03 4.4871120d-03 1.5948264d-03 20 1.7711237d-02 9.7961909d-03 3.5065606d-03 21 2.7331167d-02 1.5191099d-02 5.4235029d-03 22 2.8206896d-02 1.4923049d-02 5.3047391d-03 23 1.6318216d-02 3.4714012d-03 6.6322769d-04 24 4.2642487d-03 -1.1250136d-02 -5.2023203d-03 25 3.5747023d-04 -1.4400942d-02 -6.5785795d-03 26 1.5243770d-05 -6.7179360d-03 -1.5239182d-03 27 1.1915968d-07 -1.0294281d-03 4.5287249d-03 28 2.3013018d-07 -2.3720984d-05 5.1770629d-03 29 -6.5586738d-08 -2.8892495d-06 2.3983721d-03 30 1.0809627d-08 5.4955908d-07 3.8250985d-04 4F- -6.7039878d+00 ------------ *** Large Component *** 1 4.2708678d-04 2 3.9012298d-03 3 2.1243108d-02 4 7.3774113d-02 5 1.7966511d-01 6 2.9650680d-01 7 3.4163874d-01 8 2.6357806d-01 9 1.1768651d-01 10 2.0752833d-02 *** Small Component *** 11 1.2386398d-04 12 7.5296450d-04 13 2.7787183d-03 14 6.7560083d-03 15 1.1750129d-02 16 1.4048608d-02 17 1.1747368d-02 18 6.5466197d-03 19 2.0704255d-03 20 2.4553938d-04 4F+ -6.4953113d+00 ------------ *** Large Component *** 1 4.5467623d-04 2 4.3339302d-03 3 2.3149547d-02 4 7.8505610d-02 5 1.8572711d-01 6 2.9880189d-01 7 3.3898106d-01 8 2.5653052d-01 9 1.1251416d-01 10 1.9517318d-02 *** Small Component *** 11 1.4157933d-04 12 8.2691834d-04 13 2.9483139d-03 14 6.9728841d-03 15 1.1803849d-02 16 1.3774083d-02 17 1.1355619d-02 18 6.2168229d-03 19 1.9335999d-03 20 2.2610176d-04 * Radial Moments Sym Orb S+ 1 2.70932d+04 1.03166d+02 1.57939d-02 3.46325d-04 9.72719d-06 3.33384d-07 2 3.96417d+03 2.55793d+01 6.57524d-02 5.18507d-03 4.67250d-04 4.74871d-05 3 9.16267d+02 9.38874d+00 1.70745d-01 3.35059d-02 7.23611d-03 1.70353d-03 4 2.36111d+02 3.97413d+00 3.76756d-01 1.60260d-01 7.41297d-02 3.69610d-02 5 4.94179d+01 1.63483d+00 8.40683d-01 7.91094d-01 8.10467d-01 8.98521d-01 6 6.27777d+00 5.74384d-01 2.24253d+00 5.71335d+00 1.62503d+01 5.13520d+01 P- 1 1.24810d+03 2.54884d+01 5.39580d-02 3.65307d-03 2.96619d-04 2.81045d-05 2 2.95825d+02 9.28566d+00 1.61516d-01 3.04927d-02 6.40440d-03 1.48055d-03 3 7.52414d+01 3.86242d+00 3.78011d-01 1.62610d-01 7.64878d-02 3.90050d-02 4 1.46494d+01 1.51659d+00 8.95614d-01 9.03572d-01 1.00055d+00 1.21193d+00 5 1.35359d+00 4.59810d-01 2.76680d+00 8.76876d+00 3.12344d+01 1.23670d+02 P+ 1 5.60442d+02 2.02326d+01 6.29619d-02 4.82922d-03 4.37689d-04 4.58506d-05 2 1.35241d+02 7.91560d+00 1.77832d-01 3.67543d-02 8.43043d-03 2.12335d-03 3 3.50574d+01 3.40901d+00 4.11006d-01 1.91962d-01 9.80147d-02 5.42493d-02 4 6.84934d+00 1.35421d+00 9.80089d-01 1.08243d+00 1.31384d+00 1.74588d+00 5 5.90288d-01 3.96394d-01 3.18545d+00 1.17258d+01 4.91621d+01 2.33050d+02 D- 1 7.63287d+01 7.79628d+00 1.54632d-01 2.80756d-02 5.87381d-03 1.39608d-03 2 1.86877d+01 3.20959d+00 4.15036d-01 1.98845d-01 1.05846d-01 6.20486d-02 3 2.81550d+00 1.09049d+00 1.20110d+00 1.66487d+00 2.61272d+00 4.63024d+00 D+ 1 6.92432d+01 7.49325d+00 1.59577d-01 2.97725d-02 6.38480d-03 1.55318d-03 2 1.69467d+01 3.10410d+00 4.25832d-01 2.09090d-01 1.14038d-01 6.84836d-02 3 2.50939d+00 1.04844d+00 1.24386d+00 1.78728d+00 2.91291d+00 5.37346d+00 F- 1 9.43005d+00 2.76844d+00 4.36453d-01 2.26819d-01 1.38602d-01 9.84892d-02 F+ 1 9.13708d+00 2.72835d+00 4.42401d-01 2.32942d-01 1.44209d-01 1.03831d-01 -------------------------------------------------------------------------------- Polonium [Xe]6s(2)5d(10)4f(14)6p(4) Nuclear Charge = 84.0000000000 Atomic Mass = 209.0000000000 Nuclear Radius = 1.349410d-04 Speed of Light = 137.0359895000 S+ P- P+ D- D+ F- F+ Number of Closed Shells 6 4 4 3 3 1 1 Open Shells 0 1 1 0 0 0 0 Conf Weight Open Shell Occupation Numbers 1 0.40000000 0.0 2.0 2.0 0.0 0.0 0.0 0.0 2 0.53333333 0.0 1.0 3.0 0.0 0.0 0.0 0.0 3 0.06666667 0.0 0.0 4.0 0.0 0.0 0.0 0.0 * Energies Total Energy = -2.223093916177721d+04 Mass Energy = -2.221956008260711d+04 Kinetic Energy = 4.829452968768046d+04 Potential Energy = -4.830590876685056d+04 Correction to Virial = 1.137588445817129d+01 Virials -/ = 1.000235618386672d+00 -(CORR )/ = -2.355522360759873d-04 -[+(CORR )]/ = 1.000000066150596d+00 NORMALIZED BASIS SPINORS SYMMETRY EXPONENT PARAM COEFFICIENTS SPECIES LARGE-COMPONENT SMALL-COMPONENT S+ 1 4.0451046494d+07 1.0000000000d+00 1.0000000000d+00 2 9.4069278563d+06 1.0000000000d+00 1.0000000000d+00 3 2.9825350192d+06 1.0000000000d+00 1.0000000000d+00 4 1.0523142558d+06 1.0000000000d+00 1.0000000000d+00 5 4.0448925853d+05 1.0000000000d+00 1.0000000000d+00 6 1.6324980576d+05 1.0000000000d+00 1.0000000000d+00 7 6.8738554175d+04 1.0000000000d+00 1.0000000000d+00 8 2.9934688873d+04 1.0000000000d+00 1.0000000000d+00 9 1.3447326015d+04 1.0000000000d+00 1.0000000000d+00 10 6.2119100997d+03 1.0000000000d+00 1.0000000000d+00 11 2.9449201618d+03 1.0000000000d+00 1.0000000000d+00 12 1.4298925216d+03 1.0000000000d+00 1.0000000000d+00 13 7.0919254220d+02 1.0000000000d+00 1.0000000000d+00 14 3.4791396445d+02 1.0000000000d+00 1.0000000000d+00 15 1.7897250062d+02 1.0000000000d+00 1.0000000000d+00 16 9.4039786021d+01 1.0000000000d+00 1.0000000000d+00 17 4.7928183785d+01 1.0000000000d+00 1.0000000000d+00 18 2.5659673505d+01 1.0000000000d+00 1.0000000000d+00 19 1.2432031168d+01 1.0000000000d+00 1.0000000000d+00 20 6.5635774227d+00 1.0000000000d+00 1.0000000000d+00 21 2.8124132264d+00 1.0000000000d+00 1.0000000000d+00 22 1.5573488629d+00 1.0000000000d+00 1.0000000000d+00 23 7.7057397382d-01 1.0000000000d+00 1.0000000000d+00 24 2.8077661402d-01 1.0000000000d+00 1.0000000000d+00 25 1.0776642144d-01 1.0000000000d+00 1.0000000000d+00 P- 1 2.3773070968d+07 1.0000000000d+00 1.0000000000d+00 2 4.9780526563d+06 1.0000000000d+00 1.0000000000d+00 3 1.2489308537d+06 1.0000000000d+00 1.0000000000d+00 4 3.5341849987d+05 1.0000000000d+00 1.0000000000d+00 5 1.0986914113d+05 1.0000000000d+00 1.0000000000d+00 6 3.6979016016d+04 1.0000000000d+00 1.0000000000d+00 7 1.3372833998d+04 1.0000000000d+00 1.0000000000d+00 8 5.1806382560d+03 1.0000000000d+00 1.0000000000d+00 9 2.1429276323d+03 1.0000000000d+00 1.0000000000d+00 10 9.4028170952d+02 1.0000000000d+00 1.0000000000d+00 11 4.3303936586d+02 1.0000000000d+00 1.0000000000d+00 12 2.0722447500d+02 1.0000000000d+00 1.0000000000d+00 13 1.0065075547d+02 1.0000000000d+00 1.0000000000d+00 14 5.0536490023d+01 1.0000000000d+00 1.0000000000d+00 15 2.5758362666d+01 1.0000000000d+00 1.0000000000d+00 16 1.2619206475d+01 1.0000000000d+00 1.0000000000d+00 17 6.2809507875d+00 1.0000000000d+00 1.0000000000d+00 18 2.6204931746d+00 1.0000000000d+00 1.0000000000d+00 19 1.1570116353d+00 1.0000000000d+00 1.0000000000d+00 20 3.2557518922d-01 1.0000000000d+00 1.0000000000d+00 21 1.0819515607d-01 1.0000000000d+00 1.0000000000d+00 P+ 1 7.2946777617d+05 1.0000000000d+00 1.0000000000d+00 2 1.5058864546d+05 1.0000000000d+00 1.0000000000d+00 3 4.4048942420d+04 1.0000000000d+00 1.0000000000d+00 4 1.5511291850d+04 1.0000000000d+00 1.0000000000d+00 5 6.1613282423d+03 1.0000000000d+00 1.0000000000d+00 6 2.6680441120d+03 1.0000000000d+00 1.0000000000d+00 7 1.2341914282d+03 1.0000000000d+00 1.0000000000d+00 8 6.0066953550d+02 1.0000000000d+00 1.0000000000d+00 9 3.0401978580d+02 1.0000000000d+00 1.0000000000d+00 10 1.5829146230d+02 1.0000000000d+00 1.0000000000d+00 11 8.3677753970d+01 1.0000000000d+00 1.0000000000d+00 12 4.5227364332d+01 1.0000000000d+00 1.0000000000d+00 13 2.4530280671d+01 1.0000000000d+00 1.0000000000d+00 14 1.2918958853d+01 1.0000000000d+00 1.0000000000d+00 15 6.8545995922d+00 1.0000000000d+00 1.0000000000d+00 16 3.4920367485d+00 1.0000000000d+00 1.0000000000d+00 17 1.7818517824d+00 1.0000000000d+00 1.0000000000d+00 18 8.6003661755d-01 1.0000000000d+00 1.0000000000d+00 19 3.3372001595d-01 1.0000000000d+00 1.0000000000d+00 20 1.3787383248d-01 1.0000000000d+00 1.0000000000d+00 21 5.3923518669d-02 1.0000000000d+00 1.0000000000d+00 D- 1 2.6454018435d+04 1.0000000000d+00 1.0000000000d+00 2 6.3718074504d+03 1.0000000000d+00 1.0000000000d+00 3 2.1278612551d+03 1.0000000000d+00 1.0000000000d+00 4 8.4982236286d+02 1.0000000000d+00 1.0000000000d+00 5 3.7950558841d+02 1.0000000000d+00 1.0000000000d+00 6 1.8245500734d+02 1.0000000000d+00 1.0000000000d+00 7 9.1992287623d+01 1.0000000000d+00 1.0000000000d+00 8 4.7908816453d+01 1.0000000000d+00 1.0000000000d+00 9 2.5220759484d+01 1.0000000000d+00 1.0000000000d+00 10 1.3115432723d+01 1.0000000000d+00 1.0000000000d+00 11 6.7725590503d+00 1.0000000000d+00 1.0000000000d+00 12 3.3837098799d+00 1.0000000000d+00 1.0000000000d+00 13 1.6426684476d+00 1.0000000000d+00 1.0000000000d+00 14 7.5552196227d-01 1.0000000000d+00 1.0000000000d+00 15 3.1063515460d-01 1.0000000000d+00 1.0000000000d+00 D+ 1 1.0663314369d+04 1.0000000000d+00 1.0000000000d+00 2 3.1077427637d+03 1.0000000000d+00 1.0000000000d+00 3 1.1844168136d+03 1.0000000000d+00 1.0000000000d+00 4 5.1870005744d+02 1.0000000000d+00 1.0000000000d+00 5 2.4746182536d+02 1.0000000000d+00 1.0000000000d+00 6 1.2512266287d+02 1.0000000000d+00 1.0000000000d+00 7 6.5560257730d+01 1.0000000000d+00 1.0000000000d+00 8 3.5227648379d+01 1.0000000000d+00 1.0000000000d+00 9 1.8968954420d+01 1.0000000000d+00 1.0000000000d+00 10 1.0065971780d+01 1.0000000000d+00 1.0000000000d+00 11 5.3085713703d+00 1.0000000000d+00 1.0000000000d+00 12 2.6964789156d+00 1.0000000000d+00 1.0000000000d+00 13 1.3220935939d+00 1.0000000000d+00 1.0000000000d+00 14 6.1696015700d-01 1.0000000000d+00 1.0000000000d+00 15 2.5709948428d-01 1.0000000000d+00 1.0000000000d+00 F- 1 1.1744302607d+03 1.0000000000d+00 1.0000000000d+00 2 3.8966215104d+02 1.0000000000d+00 1.0000000000d+00 3 1.6373068118d+02 1.0000000000d+00 1.0000000000d+00 4 7.7400608400d+01 1.0000000000d+00 1.0000000000d+00 5 3.8900856396d+01 1.0000000000d+00 1.0000000000d+00 6 2.0307552223d+01 1.0000000000d+00 1.0000000000d+00 7 1.0692113401d+01 1.0000000000d+00 1.0000000000d+00 8 5.5963859109d+00 1.0000000000d+00 1.0000000000d+00 9 2.8264869446d+00 1.0000000000d+00 1.0000000000d+00 10 1.2988921749d+00 1.0000000000d+00 1.0000000000d+00 F+ 1 9.3892279756d+02 1.0000000000d+00 1.0000000000d+00 2 3.2793885111d+02 1.0000000000d+00 1.0000000000d+00 3 1.4184325022d+02 1.0000000000d+00 1.0000000000d+00 4 6.8081023962d+01 1.0000000000d+00 1.0000000000d+00 5 3.4678696018d+01 1.0000000000d+00 1.0000000000d+00 6 1.8237888663d+01 1.0000000000d+00 1.0000000000d+00 7 9.6668461067d+00 1.0000000000d+00 1.0000000000d+00 8 5.0931123261d+00 1.0000000000d+00 1.0000000000d+00 9 2.5878012113d+00 1.0000000000d+00 1.0000000000d+00 10 1.1939622488d+00 1.0000000000d+00 1.0000000000d+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -3.4447879d+03 -6.2737365d+02 -1.5498424d+02 -3.7536472d+01 -7.2429125d+00 -8.0918475d-01 ------------ ------------ ------------ ------------ ------------ ------------ *** Large Component *** 1 4.4214732d-04 -1.7605076d-04 8.5000071d-05 -4.3156364d-05 1.9843150d-05 7.2528531d-06 2 9.8502736d-04 -3.9440008d-04 1.9061294d-04 -9.6789437d-05 4.4503996d-05 1.6268884d-05 3 2.0230321d-03 -8.1479985d-04 3.9411926d-04 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1.7561467d-03 42 1.3606190d-09 -6.3714333d-09 1.2609926d-07 2.1784236d-06 5.0424056d-04 3D- 4D- 5D- -1.0451810d+02 -1.9166804d+01 -1.6470752d+00 ------------ ------------ ------------ *** Large Component *** 1 1.7419054d-04 9.3119258d-05 3.4694048d-05 2 1.0171509d-03 5.4479566d-04 2.0274743d-04 3 5.1518035d-03 2.7755027d-03 1.0361294d-03 4 2.2090736d-02 1.1985968d-02 4.4714111d-03 5 7.5214985d-02 4.1445854d-02 1.5544870d-02 6 1.9318471d-01 1.0813355d-01 4.0573481d-02 7 3.4033090d-01 1.8780135d-01 7.0564991d-02 8 3.6140497d-01 1.5763572d-01 5.4426866d-02 9 1.8355117d-01 -1.3586025d-01 -7.4719544d-02 10 3.3157330d-02 -4.6236548d-01 -2.2258584d-01 11 1.4880805d-03 -4.1634811d-01 -1.6820578d-01 12 1.7834842d-04 -1.2440124d-01 2.0967902d-01 13 -2.0781293d-05 -6.7666963d-03 5.0460963d-01 14 5.8296216d-06 -6.9123588d-04 3.8830455d-01 15 -2.4474972d-07 2.1908749d-04 1.0199386d-01 *** Small Component *** 16 6.9470374d-05 3.7221602d-05 1.3894321d-05 17 4.0945526d-04 2.1951245d-04 8.1647894d-05 18 1.7015394d-03 9.1735388d-04 3.4261374d-04 19 5.4265772d-03 2.9451657d-03 1.0986240d-03 20 1.3289276d-02 7.3241302d-03 2.7472621d-03 21 2.4465249d-02 1.3701239d-02 5.1413231d-03 22 3.1077534d-02 1.7167972d-02 6.4522186d-03 23 2.3971372d-02 1.0485301d-02 3.6238457d-03 24 8.8255202d-03 -6.5559707d-03 -3.6047659d-03 25 1.1216931d-03 -1.6142601d-02 -7.7705451d-03 26 1.9408134d-05 -1.0452256d-02 -4.2248387d-03 27 -4.7717773d-06 -2.2056390d-03 3.7208654d-03 28 -3.7343254d-06 -8.1799748d-05 6.2421194d-03 29 -1.2362839d-06 -5.1099936d-06 3.2578302d-03 30 -7.1820440d-07 1.5782705d-06 5.4853369d-04 3D+ 4D+ 5D+ -1.0021472d+02 -1.8192298d+01 -1.5116296d+00 ------------ ------------ ------------ *** Large Component *** 1 1.7903802d-04 9.6080433d-05 3.5392985d-05 2 1.6145289d-03 8.6683788d-04 3.1820312d-04 3 9.3554768d-03 5.0656310d-03 1.8682520d-03 4 3.8895363d-02 2.1239754d-02 7.8254279d-03 5 1.1854909d-01 6.6104962d-02 2.4524061d-02 6 2.5640722d-01 1.4372248d-01 5.3192524d-02 7 3.6758936d-01 1.9654036d-01 7.2428119d-02 8 2.9481661d-01 6.8667199d-02 1.4907727d-02 9 1.0850955d-01 -2.6499244d-01 -1.2825426d-01 10 1.3179716d-02 -4.8238169d-01 -2.2976918d-01 11 7.3499256d-04 -3.1883736d-01 -8.0672320d-02 12 1.0363829d-05 -7.1666102d-02 2.9715088d-01 13 2.3175354d-05 -2.5972633d-03 4.9464181d-01 14 -1.0975010d-05 -3.7913611d-04 3.2653073d-01 15 3.7757090d-06 1.2801613d-04 7.5353893d-02 *** Small Component *** 16 1.3458667d-04 7.2079907d-05 2.6554497d-05 17 7.5812682d-04 4.0592846d-04 1.4890220d-04 18 2.8977445d-03 1.5652525d-03 5.7705783d-04 19 8.2514498d-03 4.4956015d-03 1.6555255d-03 20 1.7701372d-02 9.8511350d-03 3.6533512d-03 21 2.7495434d-02 1.5386830d-02 5.6930000d-03 22 2.8676912d-02 1.5318127d-02 5.6443794d-03 23 1.6908041d-02 3.9523096d-03 8.6336857d-04 24 4.5699164d-03 -1.1123731d-02 -5.3824477d-03 25 4.0507283d-04 -1.4770872d-02 -7.0339078d-03 26 1.6056210d-05 -7.0938300d-03 -1.7955204d-03 27 3.2173202d-07 -1.1363494d-03 4.7095779d-03 28 1.8273945d-07 -2.8908944d-05 5.4903056d-03 29 -5.3052255d-08 -2.8478521d-06 2.4759912d-03 30 9.8734577d-09 6.1886277d-07 3.6885040d-04 4F- -7.5048514d+00 ------------ *** Large Component *** 1 3.9429337d-04 2 3.6165407d-03 3 1.9884384d-02 4 7.0122080d-02 5 1.7380419d-01 6 2.9263955d-01 7 3.4297241d-01 8 2.6857689d-01 9 1.2126455d-01 10 2.1344582d-02 *** Small Component *** 11 1.1709907d-04 12 7.1975761d-04 13 2.6886065d-03 14 6.6486773d-03 15 1.1778466d-02 16 1.4383698d-02 17 1.2253790d-02 18 6.9471697d-03 19 2.2294218d-03 20 2.6533978d-04 4F+ -7.2782691d+00 ------------ *** Large Component *** 1 4.7841598d-04 2 4.5069513d-03 3 2.3963350d-02 4 8.0842299d-02 5 1.8950739d-01 6 3.0158433d-01 7 3.3758234d-01 8 2.5054470d-01 9 1.0713717d-01 10 1.7695583d-02 *** Small Component *** 11 1.4981318d-04 12 8.6720627d-04 13 3.0815037d-03 14 7.2544796d-03 15 1.2182430d-02 16 1.4082535d-02 17 1.1484576d-02 18 6.1892143d-03 19 1.8867030d-03 20 2.1169337d-04 * Radial Moments Sym Orb S+ 1 2.83425d+04 1.05131d+02 1.55386d-02 3.35612d-04 9.29073d-06 3.13964d-07 2 4.18277d+03 2.61208d+01 6.46451d-02 5.01521d-03 4.44733d-04 4.44837d-05 3 9.69343d+02 9.58213d+00 1.67871d-01 3.23953d-02 6.88031d-03 1.59289d-03 4 2.51244d+02 4.06173d+00 3.69732d-01 1.54345d-01 7.00508d-02 3.42615d-02 5 5.37873d+01 1.68566d+00 8.18031d-01 7.48611d-01 7.44969d-01 8.01036d-01 6 7.34266d+00 6.09557d-01 2.11901d+00 5.08796d+00 1.35957d+01 4.02552d+01 P- 1 1.31781d+03 2.60290d+01 5.29853d-02 3.52628d-03 2.81605d-04 2.62488d-05 2 3.13506d+02 9.47861d+00 1.58695d-01 2.94464d-02 6.07886d-03 1.38123d-03 3 8.02467d+01 3.95010d+00 3.70611d-01 1.56311d-01 7.20682d-02 3.60118d-02 4 1.60584d+01 1.56908d+00 8.68394d-01 8.48708d-01 9.08795d-01 1.06194d+00 5 1.68965d+00 5.00868d-01 2.55088d+00 7.42969d+00 2.42429d+01 8.77678d+01 P+ 1 5.76186d+02 2.05114d+01 6.21156d-02 4.70061d-03 4.20350d-04 4.34464d-05 2 1.39564d+02 8.03847d+00 1.75217d-01 3.56854d-02 8.06535d-03 2.00140d-03 3 3.64321d+01 3.47324d+00 4.03809d-01 1.85289d-01 9.29150d-02 5.04837d-02 4 7.33508d+00 1.39856d+00 9.50983d-01 1.01804d+00 1.19554d+00 1.53374d+00 5 7.17746d-01 4.31015d-01 2.93916d+00 9.95182d+00 3.82576d+01 1.65974d+02 D- 1 7.87893d+01 7.91956d+00 1.52234d-01 2.72106d-02 5.60375d-03 1.31087d-03 2 1.94650d+01 3.27548d+00 4.06825d-01 1.91001d-01 9.95655d-02 5.71108d-02 3 3.09712d+00 1.14285d+00 1.14674d+00 1.51204d+00 2.24594d+00 3.74812d+00 D+ 1 7.12901d+01 7.60381d+00 1.57230d-01 2.88982d-02 6.10405d-03 1.46227d-03 2 1.76105d+01 3.16560d+00 4.17596d-01 2.01012d-01 1.07401d-01 6.31313d-02 3 2.76395d+00 1.10010d+00 1.18576d+00 1.61770d+00 2.48984d+00 4.31382d+00 F- 1 9.88850d+00 2.83796d+00 4.24723d-01 2.14213d-01 1.26674d-01 8.68475d-02 F+ 1 9.57626d+00 2.79631d+00 4.30551d-01 2.20019d-01 1.31803d-01 9.15499d-02 ------------------------------------------------------------------------------ Astatine [Xe]6s(2)5d(10)4f(14)6p(5) Nuclear Charge = 85.0000000000 Atomic Mass = 210.0000000000 Nuclear Radius = 1.351338d-04 Speed of Light = 137.0359895000 S+ P- P+ D- D+ F- F+ Number of Closed Shells 6 4 4 3 3 1 1 Open Shells 0 1 1 0 0 0 0 Conf Weight Open Shell Occupation Numbers 1 0.66666667 0.0 2.0 3.0 0.0 0.0 0.0 0.0 2 0.33333333 0.0 1.0 4.0 0.0 0.0 0.0 0.0 * Energies Total Energy = -2.290972469124456d+04 Mass Energy = -2.289720331958546d+04 Kinetic Energy = 4.989487970390906d+04 Potential Energy = -4.990740107556817d+04 Correction to Virial = 1.251807824535478d+01 Virials -/ = 1.000250955042550d+00 -(CORR )/ = -2.508890355010524d-04 -[+(CORR )]/ = 1.000000066007048d+00 NORMALIZED BASIS SPINORS SYMMETRY EXPONENT PARAM COEFFICIENTS SPECIES LARGE-COMPONENT SMALL-COMPONENT S+ 1 4.0393800509d+07 1.0000000000d+00 1.0000000000d+00 2 9.3929860394d+06 1.0000000000d+00 1.0000000000d+00 3 2.9793478613d+06 1.0000000000d+00 1.0000000000d+00 4 1.0517608312d+06 1.0000000000d+00 1.0000000000d+00 5 4.0462929899d+05 1.0000000000d+00 1.0000000000d+00 6 1.6343887075d+05 1.0000000000d+00 1.0000000000d+00 7 6.8861588741d+04 1.0000000000d+00 1.0000000000d+00 8 3.0000979325d+04 1.0000000000d+00 1.0000000000d+00 9 1.3482413096d+04 1.0000000000d+00 1.0000000000d+00 10 6.2304179199d+03 1.0000000000d+00 1.0000000000d+00 11 2.9545279147d+03 1.0000000000d+00 1.0000000000d+00 12 1.4348991544d+03 1.0000000000d+00 1.0000000000d+00 13 7.1212847304d+02 1.0000000000d+00 1.0000000000d+00 14 3.5007239447d+02 1.0000000000d+00 1.0000000000d+00 15 1.8001419757d+02 1.0000000000d+00 1.0000000000d+00 16 9.4595276532d+01 1.0000000000d+00 1.0000000000d+00 17 4.8622582858d+01 1.0000000000d+00 1.0000000000d+00 18 2.6024244631d+01 1.0000000000d+00 1.0000000000d+00 19 1.2590095271d+01 1.0000000000d+00 1.0000000000d+00 20 6.6568430179d+00 1.0000000000d+00 1.0000000000d+00 21 2.8077678736d+00 1.0000000000d+00 1.0000000000d+00 22 1.5091502985d+00 1.0000000000d+00 1.0000000000d+00 23 6.9669387140d-01 1.0000000000d+00 1.0000000000d+00 24 2.9841073246d-01 1.0000000000d+00 1.0000000000d+00 25 1.1725757260d-01 1.0000000000d+00 1.0000000000d+00 P- 1 2.4435480013d+07 1.0000000000d+00 1.0000000000d+00 2 5.1845643470d+06 1.0000000000d+00 1.0000000000d+00 3 1.3115853135d+06 1.0000000000d+00 1.0000000000d+00 4 3.7347680110d+05 1.0000000000d+00 1.0000000000d+00 5 1.1658396816d+05 1.0000000000d+00 1.0000000000d+00 6 3.9339413319d+04 1.0000000000d+00 1.0000000000d+00 7 1.4239546165d+04 1.0000000000d+00 1.0000000000d+00 8 5.5116770020d+03 1.0000000000d+00 1.0000000000d+00 9 2.2762933016d+03 1.0000000000d+00 1.0000000000d+00 10 9.9713017813d+02 1.0000000000d+00 1.0000000000d+00 11 4.5836746907d+02 1.0000000000d+00 1.0000000000d+00 12 2.1899875552d+02 1.0000000000d+00 1.0000000000d+00 13 1.0645107463d+02 1.0000000000d+00 1.0000000000d+00 14 5.3414137500d+01 1.0000000000d+00 1.0000000000d+00 15 2.7272475689d+01 1.0000000000d+00 1.0000000000d+00 16 1.3341579552d+01 1.0000000000d+00 1.0000000000d+00 17 6.6579316598d+00 1.0000000000d+00 1.0000000000d+00 18 2.7892463305d+00 1.0000000000d+00 1.0000000000d+00 19 1.2530144377d+00 1.0000000000d+00 1.0000000000d+00 20 3.6763220555d-01 1.0000000000d+00 1.0000000000d+00 21 1.2450421124d-01 1.0000000000d+00 1.0000000000d+00 P+ 1 7.7460093704d+05 1.0000000000d+00 1.0000000000d+00 2 1.5897572427d+05 1.0000000000d+00 1.0000000000d+00 3 4.6326309656d+04 1.0000000000d+00 1.0000000000d+00 4 1.6268160605d+04 1.0000000000d+00 1.0000000000d+00 5 6.4463163031d+03 1.0000000000d+00 1.0000000000d+00 6 2.7859192575d+03 1.0000000000d+00 1.0000000000d+00 7 1.2869833823d+03 1.0000000000d+00 1.0000000000d+00 8 6.2578420004d+02 1.0000000000d+00 1.0000000000d+00 9 3.1658316652d+02 1.0000000000d+00 1.0000000000d+00 10 1.6488868019d+02 1.0000000000d+00 1.0000000000d+00 11 8.7294207240d+01 1.0000000000d+00 1.0000000000d+00 12 4.7222199194d+01 1.0000000000d+00 1.0000000000d+00 13 2.5649853824d+01 1.0000000000d+00 1.0000000000d+00 14 1.3544104903d+01 1.0000000000d+00 1.0000000000d+00 15 7.2169679331d+00 1.0000000000d+00 1.0000000000d+00 16 3.7031344354d+00 1.0000000000d+00 1.0000000000d+00 17 1.9039255080d+00 1.0000000000d+00 1.0000000000d+00 18 9.3171589163d-01 1.0000000000d+00 1.0000000000d+00 19 3.7252993339d-01 1.0000000000d+00 1.0000000000d+00 20 1.5568271549d-01 1.0000000000d+00 1.0000000000d+00 21 6.1407532783d-02 1.0000000000d+00 1.0000000000d+00 D- 1 2.9336165916d+04 1.0000000000d+00 1.0000000000d+00 2 7.0243979886d+03 1.0000000000d+00 1.0000000000d+00 3 2.3323693310d+03 1.0000000000d+00 1.0000000000d+00 4 9.2710437426d+02 1.0000000000d+00 1.0000000000d+00 5 4.1232099328d+02 1.0000000000d+00 1.0000000000d+00 6 1.9757367870d+02 1.0000000000d+00 1.0000000000d+00 7 9.9425296124d+01 1.0000000000d+00 1.0000000000d+00 8 5.1707289746d+01 1.0000000000d+00 1.0000000000d+00 9 2.7232119932d+01 1.0000000000d+00 1.0000000000d+00 10 1.4197751846d+01 1.0000000000d+00 1.0000000000d+00 11 7.3518118348d+00 1.0000000000d+00 1.0000000000d+00 12 3.6995397823d+00 1.0000000000d+00 1.0000000000d+00 13 1.8088575347d+00 1.0000000000d+00 1.0000000000d+00 14 8.3953442290d-01 1.0000000000d+00 1.0000000000d+00 15 3.4736398049d-01 1.0000000000d+00 1.0000000000d+00 D+ 1 1.1322665667d+04 1.0000000000d+00 1.0000000000d+00 2 3.2878778335d+03 1.0000000000d+00 1.0000000000d+00 3 1.2505116521d+03 1.0000000000d+00 1.0000000000d+00 4 5.4744645881d+02 1.0000000000d+00 1.0000000000d+00 5 2.6117941837d+02 1.0000000000d+00 1.0000000000d+00 6 1.3207902649d+02 1.0000000000d+00 1.0000000000d+00 7 6.9255610466d+01 1.0000000000d+00 1.0000000000d+00 8 3.7266406980d+01 1.0000000000d+00 1.0000000000d+00 9 2.0111061496d+01 1.0000000000d+00 1.0000000000d+00 10 1.0702976693d+01 1.0000000000d+00 1.0000000000d+00 11 5.6711078153d+00 1.0000000000d+00 1.0000000000d+00 12 2.9061851104d+00 1.0000000000d+00 1.0000000000d+00 13 1.4390591954d+00 1.0000000000d+00 1.0000000000d+00 14 6.7839356661d-01 1.0000000000d+00 1.0000000000d+00 15 2.8394392202d-01 1.0000000000d+00 1.0000000000d+00 F- 1 1.1982100236d+03 1.0000000000d+00 1.0000000000d+00 2 3.9807278671d+02 1.0000000000d+00 1.0000000000d+00 3 1.6756623556d+02 1.0000000000d+00 1.0000000000d+00 4 7.9249250919d+01 1.0000000000d+00 1.0000000000d+00 5 3.9918476281d+01 1.0000000000d+00 1.0000000000d+00 6 2.0887564423d+01 1.0000000000d+00 1.0000000000d+00 7 1.1037186950d+01 1.0000000000d+00 1.0000000000d+00 8 5.8126185060d+00 1.0000000000d+00 1.0000000000d+00 9 2.9609955931d+00 1.0000000000d+00 1.0000000000d+00 10 1.3787676922d+00 1.0000000000d+00 1.0000000000d+00 F+ 1 9.7709919622d+02 1.0000000000d+00 1.0000000000d+00 2 3.3981853149d+02 1.0000000000d+00 1.0000000000d+00 3 1.4677930062d+02 1.0000000000d+00 1.0000000000d+00 4 7.0531456411d+01 1.0000000000d+00 1.0000000000d+00 5 3.5973416316d+01 1.0000000000d+00 1.0000000000d+00 6 1.8955395473d+01 1.0000000000d+00 1.0000000000d+00 7 1.0086645955d+01 1.0000000000d+00 1.0000000000d+00 8 5.3449534690d+00 1.0000000000d+00 1.0000000000d+00 9 2.7387999758d+00 1.0000000000d+00 1.0000000000d+00 10 1.2801042010d+00 1.0000000000d+00 1.0000000000d+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -3.5420546d+03 -6.4784618d+02 -1.6083047d+02 -3.9396438d+01 -7.8171266d+00 -9.3749096d-01 ------------ ------------ ------------ ------------ ------------ ------------ *** Large Component *** 1 4.7111726d-04 -1.8852190d-04 9.1157334d-05 -4.6423449d-05 2.1585938d-05 8.1352703d-06 2 1.0463261d-03 -4.2107437d-04 2.0381096d-04 -1.0380630d-04 4.8270022d-05 1.8194204d-05 3 2.1407168d-03 -8.6666858d-04 4.1985310d-04 -2.1393749d-04 9.9489456d-05 3.7493196d-05 4 4.0865041d-03 -1.6707640d-03 8.1086093d-04 -4.1320797d-04 1.9217107d-04 7.2445178d-05 5 7.8553457d-03 -3.2481273d-03 1.5788131d-03 -8.0530744d-04 3.7458766d-04 1.4114866d-04 6 1.5078036d-02 -6.3327614d-03 3.0873638d-03 -1.5746374d-03 7.3250244d-04 2.7621736d-04 7 2.9152119d-02 -1.2467170d-02 6.0922044d-03 -3.1125927d-03 1.4483626d-03 5.4563851d-04 8 5.5998462d-02 -2.4559033d-02 1.2062653d-02 -6.1608409d-03 2.8671371d-03 1.0816756d-03 9 1.0445891d-01 -4.7427944d-02 2.3409415d-02 -1.1997300d-02 5.5866027d-03 2.1038340d-03 10 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10 3.9049100d-02 -4.5034755d-01 -2.2444245d-01 11 1.8539977d-03 -4.3270035d-01 -1.8829107d-01 12 2.1724015d-04 -1.3865285d-01 1.9234833d-01 13 -3.3112207d-05 -8.7581779d-03 5.1228972d-01 14 1.0968213d-05 -6.2761735d-04 3.9529198d-01 15 -1.0914426d-06 2.2264011d-04 1.0028596d-01 *** Small Component *** 16 6.4397517d-05 3.4697825d-05 1.3333240d-05 17 3.8004113d-04 2.0503462d-04 7.8574324d-05 18 1.5869331d-03 8.6030500d-04 3.3080683d-04 19 5.1200189d-03 2.7948491d-03 1.0740001d-03 20 1.2750305d-02 7.0597026d-03 2.7261242d-03 21 2.4005640d-02 1.3521379d-02 5.2280205d-03 22 3.1426074d-02 1.7517212d-02 6.7812765d-03 23 2.5323818d-02 1.1638297d-02 4.2155311d-03 24 9.9113102d-03 -5.5009441d-03 -3.3001417d-03 25 1.3792599d-03 -1.6356479d-02 -8.1508591d-03 26 2.8617324d-05 -1.1317454d-02 -4.9270283d-03 27 -4.7825630d-06 -2.5707227d-03 3.5686479d-03 28 -4.3563795d-06 -1.1154459d-04 6.6498315d-03 29 -1.3506663d-06 -4.7650762d-06 3.4959567d-03 30 -8.3809510d-07 1.7324464d-06 5.7030399d-04 3D+ 4D+ 5D+ -1.0394942d+02 -1.9300578d+01 -1.7601261d+00 ------------ ------------ ------------ *** Large Component *** 1 1.6923092d-04 9.1401183d-05 3.4742633d-05 2 1.5316278d-03 8.2748954d-04 3.1346188d-04 3 8.8987357d-03 4.8484953d-03 1.8452090d-03 4 3.7137159d-02 2.0400545d-02 7.7562967d-03 5 1.1413439d-01 6.4012949d-02 2.4506114d-02 6 2.5002604d-01 1.4109505d-01 5.3904049d-02 7 3.6487204d-01 1.9736099d-01 7.5134612d-02 8 3.0127656d-01 7.9441912d-02 2.0000322d-02 9 1.1564021d-01 -2.5117081d-01 -1.2701651d-01 10 1.4938290d-02 -4.8131798d-01 -2.3794425d-01 11 7.7229200d-04 -3.2929900d-01 -9.4148899d-02 12 2.6104164d-05 -7.7608302d-02 2.9426438d-01 13 1.7557713d-05 -3.1509899d-03 5.0352646d-01 14 -8.7106306d-06 -3.4502201d-04 3.2454920d-01 15 3.4846980d-06 1.3484560d-04 7.0754039d-02 *** Small Component *** 16 1.2965157d-04 6.9881494d-05 2.6565158d-05 17 7.3537068d-04 3.9618312d-04 1.4996502d-04 18 2.8228577d-03 1.5342354d-03 5.8365163d-04 19 8.0788687d-03 4.4274647d-03 1.6824648d-03 20 1.7490551d-02 9.7896369d-03 3.7463689d-03 21 2.7532988d-02 1.5511144d-02 5.9239451d-03 22 2.9249762d-02 1.5805144d-02 6.0162266d-03 23 1.7770533d-02 4.6992623d-03 1.1881395d-03 24 5.0149552d-03 -1.0854186d-02 -5.4875580d-03 25 4.7338835d-04 -1.5196900d-02 -7.5107136d-03 26 1.7452684d-05 -7.5726776d-03 -2.1656868d-03 27 5.9631012d-07 -1.2775585d-03 4.8416598d-03 28 1.2420082d-07 -3.6579746d-05 5.8309042d-03 29 -3.7395004d-08 -2.7140785d-06 2.5805988d-03 30 8.9613500d-09 6.8539269d-07 3.6396788d-04 4F- -8.3347248d+00 ------------ *** Large Component *** 1 4.1197305d-04 2 3.7368300d-03 3 2.0465912d-02 4 7.1859883d-02 5 1.7675692d-01 6 2.9547308d-01 7 3.4252522d-01 8 2.6355374d-01 9 1.1617667d-01 10 1.9466817d-02 *** Small Component *** 11 1.2315715d-04 12 7.5043147d-04 13 2.7973511d-03 14 6.8918546d-03 15 1.2132029d-02 16 1.4727500d-02 17 1.2433084d-02 18 6.9473447d-03 19 2.1859775d-03 20 2.4917715d-04 4F+ -8.0891454d+00 ------------ *** Large Component *** 1 4.7436468d-04 2 4.5222215d-03 3 2.4077151d-02 4 8.1234138d-02 5 1.9059306d-01 6 3.0274417d-01 7 3.3723490d-01 8 2.4783418d-01 9 1.0421403d-01 10 1.6576156d-02 *** Small Component *** 11 1.5117246d-04 12 8.8484114d-04 13 3.1479995d-03 14 7.4178564d-03 15 1.2477479d-02 16 1.4411430d-02 17 1.1719077d-02 18 6.2718410d-03 19 1.8880332d-03 20 2.0533627d-04 * Radial Moments Sym Orb S+ 1 2.96537d+04 1.07135d+02 1.52882d-02 3.25272d-04 8.87588d-06 2.95775d-07 2 4.41458d+03 2.66751d+01 6.35604d-02 4.85160d-03 4.23397d-04 4.16838d-05 3 1.02571d+03 9.77926d+00 1.65063d-01 3.13285d-02 6.54420d-03 1.49010d-03 4 2.67374d+02 4.15085d+00 3.62897d-01 1.48698d-01 6.62300d-02 3.17806d-02 5 5.84965d+01 1.73723d+00 7.96433d-01 7.09259d-01 6.86111d-01 7.16224d-01 6 8.47579d+00 6.43385d-01 2.01314d+00 4.58267d+00 1.15788d+01 3.23425d+01 P- 1 1.39207d+03 2.65826d+01 5.20319d-02 3.40423d-03 2.67400d-04 2.45231d-05 2 3.32385d+02 9.67535d+00 1.55940d-01 2.84424d-02 5.77184d-03 1.28918d-03 3 8.56117d+01 4.03931d+00 3.63422d-01 1.50312d-01 6.79429d-02 3.32727d-02 4 1.75849d+01 1.62219d+00 8.42715d-01 7.98652d-01 8.27992d-01 9.34784d-01 5 2.05039d+00 5.39447d-01 2.37849d+00 6.44381d+00 1.95054d+01 6.53973d+01 P+ 1 5.92209d+02 2.07912d+01 6.12898d-02 4.57682d-03 4.03883d-04 4.11938d-05 2 1.43980d+02 8.16189d+00 1.72670d-01 3.46597d-02 7.72012d-03 1.88779d-03 3 3.78445d+01 3.53790d+00 3.96829d-01 1.78931d-01 8.81436d-02 4.70257d-02 4 7.83933d+00 1.44298d+00 9.23697d-01 9.59663d-01 1.09201d+00 1.35498d+00 5 8.47947d-01 4.63254d-01 2.74328d+00 8.64863d+00 3.08728d+01 1.24135d+02 D- 1 8.13008d+01 8.04333d+00 1.49903d-01 2.63825d-02 5.34928d-03 1.23185d-03 2 2.02630d+01 3.34170d+00 3.98908d-01 1.83591d-01 9.37569d-02 5.26439d-02 3 3.38485d+00 1.19383d+00 1.09889d+00 1.38455d+00 1.95722d+00 3.09535d+00 D+ 1 7.33691d+01 7.71448d+00 1.54949d-01 2.80611d-02 5.83928d-03 1.37782d-03 2 1.82890d+01 3.22727d+00 4.09657d-01 1.93380d-01 1.01261d-01 5.82861d-02 3 3.02242d+00 1.15013d+00 1.13503d+00 1.47771d+00 2.16112d+00 3.54211d+00 F- 1 1.03557d+01 2.90707d+00 4.13697d-01 2.02738d-01 1.16190d-01 7.69959d-02 F+ 1 1.00231d+01 2.86381d+00 4.19421d-01 2.08264d-01 1.20907d-01 8.11635d-02 ------------------------------------------------------------------------------ Radon [Xe]6s(2)5d(10)4f(14)6p(6) Nuclear Charge = 86.0000000000 Atomic Mass = 222.0000000000 Nuclear Radius = 1.374002d-04 Speed of Light = 137.0359895000 S+ P- P+ D- D+ F- F+ Number of Closed Shells 6 5 5 3 3 1 1 Open Shells 0 0 0 0 0 0 0 * Energies Total Energy = -2.360200922553556d+04 Mass Energy = -2.358790781470191d+04 Kinetic Energy = 5.153461736240974d+04 Potential Energy = -5.154871877324339d+04 Correction to Virial = 1.409808969656479d+01 Virials -/ = 1.000273629873576d+00 -(CORR )/ = -2.735654287956000d-04 -[+(CORR )]/ = 1.000000064444780d+00 NORMALIZED BASIS SPINORS SYMMETRY EXPONENT PARAM COEFFICIENTS SPECIES LARGE-COMPONENT SMALL-COMPONENT S+ 1 3.9145120309d+07 1.0000000000d+00 1.0000000000d+00 2 9.1078742033d+06 1.0000000000d+00 1.0000000000d+00 3 2.8951366871d+06 1.0000000000d+00 1.0000000000d+00 4 1.0257489907d+06 1.0000000000d+00 1.0000000000d+00 5 3.9687985303d+05 1.0000000000d+00 1.0000000000d+00 6 1.6136765477d+05 1.0000000000d+00 1.0000000000d+00 7 6.8450021189d+04 1.0000000000d+00 1.0000000000d+00 8 3.0000619723d+04 1.0000000000d+00 1.0000000000d+00 9 1.3548161992d+04 1.0000000000d+00 1.0000000000d+00 10 6.2844535392d+03 1.0000000000d+00 1.0000000000d+00 11 2.9885272421d+03 1.0000000000d+00 1.0000000000d+00 12 1.4543249998d+03 1.0000000000d+00 1.0000000000d+00 13 7.2303832354d+02 1.0000000000d+00 1.0000000000d+00 14 3.5653433918d+02 1.0000000000d+00 1.0000000000d+00 15 1.8352548704d+02 1.0000000000d+00 1.0000000000d+00 16 9.6529844194d+01 1.0000000000d+00 1.0000000000d+00 17 4.9902300338d+01 1.0000000000d+00 1.0000000000d+00 18 2.6741625194d+01 1.0000000000d+00 1.0000000000d+00 19 1.2962587266d+01 1.0000000000d+00 1.0000000000d+00 20 6.8801671555d+00 1.0000000000d+00 1.0000000000d+00 21 2.9172177779d+00 1.0000000000d+00 1.0000000000d+00 22 1.5594517313d+00 1.0000000000d+00 1.0000000000d+00 23 6.8945367480d-01 1.0000000000d+00 1.0000000000d+00 24 3.1882489768d-01 1.0000000000d+00 1.0000000000d+00 25 1.2780079293d-01 1.0000000000d+00 1.0000000000d+00 P- 1 2.4459739834d+07 1.0000000000d+00 1.0000000000d+00 2 5.2727527802d+06 1.0000000000d+00 1.0000000000d+00 3 1.3498831444d+06 1.0000000000d+00 1.0000000000d+00 4 3.8797273057d+05 1.0000000000d+00 1.0000000000d+00 5 1.2190196251d+05 1.0000000000d+00 1.0000000000d+00 6 4.1286644142d+04 1.0000000000d+00 1.0000000000d+00 7 1.4974631267d+04 1.0000000000d+00 1.0000000000d+00 8 5.8006961961d+03 1.0000000000d+00 1.0000000000d+00 9 2.3944682263d+03 1.0000000000d+00 1.0000000000d+00 10 1.0477699394d+03 1.0000000000d+00 1.0000000000d+00 11 4.8117189529d+02 1.0000000000d+00 1.0000000000d+00 12 2.2969868084d+02 1.0000000000d+00 1.0000000000d+00 13 1.1170432253d+02 1.0000000000d+00 1.0000000000d+00 14 5.5998190174d+01 1.0000000000d+00 1.0000000000d+00 15 2.8607782023d+01 1.0000000000d+00 1.0000000000d+00 16 1.3983154105d+01 1.0000000000d+00 1.0000000000d+00 17 6.9996395827d+00 1.0000000000d+00 1.0000000000d+00 18 2.9530206318d+00 1.0000000000d+00 1.0000000000d+00 19 1.3481665241d+00 1.0000000000d+00 1.0000000000d+00 20 4.1042366055d-01 1.0000000000d+00 1.0000000000d+00 21 1.4117666211d-01 1.0000000000d+00 1.0000000000d+00 P+ 1 8.0884965588d+05 1.0000000000d+00 1.0000000000d+00 2 1.6599911152d+05 1.0000000000d+00 1.0000000000d+00 3 4.8264079473d+04 1.0000000000d+00 1.0000000000d+00 4 1.6915790796d+04 1.0000000000d+00 1.0000000000d+00 5 6.7001885352d+03 1.0000000000d+00 1.0000000000d+00 6 2.8947779815d+03 1.0000000000d+00 1.0000000000d+00 7 1.3364686999d+03 1.0000000000d+00 1.0000000000d+00 8 6.4989118494d+02 1.0000000000d+00 1.0000000000d+00 9 3.2896376059d+02 1.0000000000d+00 1.0000000000d+00 10 1.7143566656d+02 1.0000000000d+00 1.0000000000d+00 11 9.0841631206d+01 1.0000000000d+00 1.0000000000d+00 12 4.9159504690d+01 1.0000000000d+00 1.0000000000d+00 13 2.6725860638d+01 1.0000000000d+00 1.0000000000d+00 14 1.4139874824d+01 1.0000000000d+00 1.0000000000d+00 15 7.5575240248d+00 1.0000000000d+00 1.0000000000d+00 16 3.8976773541d+00 1.0000000000d+00 1.0000000000d+00 17 2.0168576184d+00 1.0000000000d+00 1.0000000000d+00 18 9.9946967775d-01 1.0000000000d+00 1.0000000000d+00 19 4.1175876980d-01 1.0000000000d+00 1.0000000000d+00 20 1.7358824721d-01 1.0000000000d+00 1.0000000000d+00 21 6.8940709430d-02 1.0000000000d+00 1.0000000000d+00 D- 1 3.0754369153d+04 1.0000000000d+00 1.0000000000d+00 2 7.3798070359d+03 1.0000000000d+00 1.0000000000d+00 3 2.4516313375d+03 1.0000000000d+00 1.0000000000d+00 4 9.7308267798d+02 1.0000000000d+00 1.0000000000d+00 5 4.3193877325d+02 1.0000000000d+00 1.0000000000d+00 6 2.0680854904d+02 1.0000000000d+00 1.0000000000d+00 7 1.0412513963d+02 1.0000000000d+00 1.0000000000d+00 8 5.4191266062d+01 1.0000000000d+00 1.0000000000d+00 9 2.8587278510d+01 1.0000000000d+00 1.0000000000d+00 10 1.4953277604d+01 1.0000000000d+00 1.0000000000d+00 11 7.7804993486d+00 1.0000000000d+00 1.0000000000d+00 12 3.9478183803d+00 1.0000000000d+00 1.0000000000d+00 13 1.9463004352d+00 1.0000000000d+00 1.0000000000d+00 14 9.1268659231d-01 1.0000000000d+00 1.0000000000d+00 15 3.8020652060d-01 1.0000000000d+00 1.0000000000d+00 D+ 1 1.2124443002d+04 1.0000000000d+00 1.0000000000d+00 2 3.5165963124d+03 1.0000000000d+00 1.0000000000d+00 3 1.3378567903d+03 1.0000000000d+00 1.0000000000d+00 4 5.8550181962d+02 1.0000000000d+00 1.0000000000d+00 5 2.7913603843d+02 1.0000000000d+00 1.0000000000d+00 6 1.4110438292d+02 1.0000000000d+00 1.0000000000d+00 7 7.3965598404d+01 1.0000000000d+00 1.0000000000d+00 8 3.9819657525d+01 1.0000000000d+00 1.0000000000d+00 9 2.1521777694d+01 1.0000000000d+00 1.0000000000d+00 10 1.1471717174d+01 1.0000000000d+00 1.0000000000d+00 11 6.0964113720d+00 1.0000000000d+00 1.0000000000d+00 12 3.1419457011d+00 1.0000000000d+00 1.0000000000d+00 13 1.5685887814d+00 1.0000000000d+00 1.0000000000d+00 14 7.4574541736d-01 1.0000000000d+00 1.0000000000d+00 15 3.1328277467d-01 1.0000000000d+00 1.0000000000d+00 F- 1 1.2492205853d+03 1.0000000000d+00 1.0000000000d+00 2 4.1437199331d+02 1.0000000000d+00 1.0000000000d+00 3 1.7414976797d+02 1.0000000000d+00 1.0000000000d+00 4 8.2412332327d+01 1.0000000000d+00 1.0000000000d+00 5 4.1542267094d+01 1.0000000000d+00 1.0000000000d+00 6 2.1781897751d+01 1.0000000000d+00 1.0000000000d+00 7 1.1552313820d+01 1.0000000000d+00 1.0000000000d+00 8 6.1126502809d+00 1.0000000000d+00 1.0000000000d+00 9 3.1367302934d+00 1.0000000000d+00 1.0000000000d+00 10 1.4766938728d+00 1.0000000000d+00 1.0000000000d+00 F+ 1 1.0298741288d+03 1.0000000000d+00 1.0000000000d+00 2 3.5885460787d+02 1.0000000000d+00 1.0000000000d+00 3 1.5507537483d+02 1.0000000000d+00 1.0000000000d+00 4 7.4578323630d+01 1.0000000000d+00 1.0000000000d+00 5 3.8105446345d+01 1.0000000000d+00 1.0000000000d+00 6 2.0134733423d+01 1.0000000000d+00 1.0000000000d+00 7 1.0747993167d+01 1.0000000000d+00 1.0000000000d+00 8 5.7177778381d+00 1.0000000000d+00 1.0000000000d+00 9 2.9473155578d+00 1.0000000000d+00 1.0000000000d+00 10 1.3916786716d+00 1.0000000000d+00 1.0000000000d+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -3.6411608d+03 -6.6880514d+02 -1.6683110d+02 -4.1312566d+01 -8.4082190d+00 -1.0708046d+00 ------------ ------------ ------------ ------------ ------------ ------------ *** Large Component *** 1 5.1148677d-04 -2.0571683d-04 9.9618229d-05 -5.0883700d-05 2.3915117d-05 9.2494238d-06 2 1.1319216d-03 -4.5791494d-04 2.2197487d-04 -1.1339633d-04 5.3299081d-05 2.0616334d-05 3 2.3028602d-03 -9.3736403d-04 4.5479982d-04 -2.3244000d-04 1.0925960d-04 4.2255214d-05 4 4.3608174d-03 -1.7930186d-03 8.7156028d-04 -4.4547899d-04 2.0942189d-04 8.1017112d-05 5 8.3049055d-03 -3.4542198d-03 1.6817251d-03 -8.6039729d-04 4.0452456d-04 1.5642979d-04 6 1.5781982d-02 -6.6692831d-03 3.2568223d-03 -1.6661076d-03 7.8346877d-04 3.0317442d-04 7 3.0215156d-02 -1.3004939d-02 6.3660809d-03 -3.2624949d-03 1.5344390d-03 5.9325051d-04 8 5.7501389d-02 -2.5388257d-02 1.2492032d-02 -6.3996783d-03 3.0107927d-03 1.1656009d-03 9 1.0631579d-01 -4.8608716d-02 2.4037824d-02 -1.2357793d-02 5.8161083d-03 2.2478918d-03 10 1.8191609d-01 -8.8285152d-02 4.4212807d-02 -2.2730466d-02 1.0705735d-02 4.1484932d-03 11 2.6401151d-01 -1.4088530d-01 7.1700233d-02 -3.7189210d-02 1.7536792d-02 6.7724508d-03 12 2.7547082d-01 -1.6643567d-01 8.7267494d-02 -4.5209288d-02 2.1354245d-02 8.3052810d-03 13 1.5640752d-01 -4.6301319d-02 1.5941066d-02 -7.7518961d-03 3.5258502d-03 1.2662853d-03 14 2.8859530d-02 3.1186122d-01 -2.5107338d-01 1.4750511d-01 -7.1708804d-02 -2.7721737d-02 15 -3.8303038d-04 5.3361296d-01 -5.5967795d-01 3.4511614d-01 -1.7078969d-01 -6.7293303d-02 16 4.9455834d-04 2.6773873d-01 -2.3486059d-01 1.6061610d-01 -8.1589936d-02 -3.1011253d-02 17 -3.1007344d-04 2.8078639d-02 6.9142001d-01 -7.5897604d-01 4.3548863d-01 1.7346270d-01 18 1.4472840d-04 -1.3990060d-04 6.2287341d-01 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3.2568461d-01 15 2.9322678d-06 1.5063700d-04 6.8404943d-02 *** Small Component *** 16 1.2292082d-04 6.6667803d-05 2.6071334d-05 17 6.9825161d-04 3.7844174d-04 1.4731802d-04 18 2.6891471d-03 1.4702261d-03 5.7530804d-04 19 7.7725021d-03 4.2829993d-03 1.6738078d-03 20 1.7058798d-02 9.5975864d-03 3.7777702d-03 21 2.7399642d-02 1.5537896d-02 6.1048834d-03 22 2.9911724d-02 1.6371395d-02 6.4203877d-03 23 1.8922009d-02 5.7452065d-03 1.6605598d-03 24 5.6472167d-03 -1.0360350d-02 -5.4735518d-03 25 5.7658161d-04 -1.5677851d-02 -8.0176441d-03 26 1.9556410d-05 -8.2035185d-03 -2.6616798d-03 27 1.0758889d-06 -1.4649372d-03 4.9204414d-03 28 1.9297257d-08 -4.5994317d-05 6.1933525d-03 29 -1.0451025d-08 -2.8180601d-06 2.7151518d-03 30 6.8540986d-09 8.0538872d-07 3.6961806d-04 4F- -9.1932273d+00 ------------ *** Large Component *** 1 4.0852291d-04 2 3.7173214d-03 3 2.0397064d-02 4 7.1775285d-02 5 1.7697526d-01 6 2.9570193d-01 7 3.4260555d-01 8 2.6221892d-01 9 1.1414663d-01 10 1.8581868d-02 *** Small Component *** 11 1.2365699d-04 12 7.5926626d-04 13 2.8382063d-03 14 7.0153128d-03 15 1.2387743d-02 16 1.5048814d-02 17 1.2721860d-02 18 7.0879064d-03 19 2.2104648d-03 20 2.4602050d-04 4F+ -8.9275199d+00 ------------ *** Large Component *** 1 4.5249482d-04 2 4.3128943d-03 3 2.3166597d-02 4 7.8882868d-02 5 1.8681528d-01 6 3.0042896d-01 7 3.3849133d-01 8 2.5074700d-01 9 1.0558769d-01 10 1.6578295d-02 *** Small Component *** 11 1.4758129d-04 12 8.6580816d-04 13 3.1108683d-03 14 7.4038413d-03 15 1.2584818d-02 16 1.4738136d-02 17 1.2141830d-02 18 6.5631384d-03 19 1.9844240d-03 20 2.1413165d-04 * Radial Moments Sym Orb S+ 1 3.10094d+04 1.09174d+02 1.50429d-02 3.15302d-04 8.48184d-06 2.78751d-07 2 4.65708d+03 2.72413d+01 6.24983d-02 4.69405d-03 4.03186d-04 3.90740d-05 3 1.08479d+03 9.98000d+00 1.62320d-01 3.03037d-02 6.22670d-03 1.39461d-03 4 2.84362d+02 4.24143d+00 3.56249d-01 1.43307d-01 6.26505d-02 2.94998d-02 5 6.35197d+01 1.78944d+00 7.75848d-01 6.72792d-01 6.33142d-01 6.42209d-01 6 9.67894d+00 6.76224d-01 1.92057d+00 4.16362d+00 9.99575d+00 2.64719d+01 P- 1 1.47097d+03 2.71497d+01 5.10970d-02 3.28669d-03 2.53954d-04 2.29170d-05 2 3.52497d+02 9.87604d+00 1.53248d-01 2.74784d-02 5.48212d-03 1.20382d-03 3 9.13501d+01 4.13010d+00 3.56435d-01 1.44595d-01 6.40889d-02 3.07639d-02 4 1.92520d+01 1.67667d+00 8.18012d-01 7.51874d-01 7.54683d-01 8.22993d-01 5 2.41989d+00 5.75502d-01 2.23575d+00 5.68115d+00 1.60912d+01 5.03993d+01 P+ 1 6.08515d+02 2.10718d+01 6.04837d-02 4.45758d-03 3.88233d-04 3.90815d-05 2 1.48491d+02 8.28587d+00 1.70188d-01 3.36747d-02 7.39342d-03 1.78184d-03 3 3.92958d+01 3.60298d+00 3.90055d-01 1.72869d-01 8.36745d-02 4.38453d-02 4 8.37304d+00 1.48848d+00 8.97289d-01 9.04590d-01 9.96688d-01 1.19380d+00 5 9.69337d-01 4.92670d-01 2.58226d+00 7.64564d+00 2.55710d+01 9.61692d+01 D- 1 8.38640d+01 8.16759d+00 1.47635d-01 2.55893d-02 5.10931d-03 1.15849d-03 2 2.10819d+01 3.40822d+00 3.91269d-01 1.76584d-01 8.83782d-02 4.85963d-02 3 3.67908d+00 1.24368d+00 1.05618d+00 1.27620d+00 1.72443d+00 2.59781d+00 D+ 1 7.54803d+01 7.82526d+00 1.52731d-01 2.72592d-02 5.58936d-03 1.29931d-03 2 1.89822d+01 3.28911d+00 4.02000d-01 1.86165d-01 9.55731d-02 5.38926d-02 3 3.28528d+00 1.19886d+00 1.09003d+00 1.35960d+00 1.89830d+00 2.95935d+00 F- 1 1.08316d+01 2.97584d+00 4.03306d-01 1.92251d-01 1.06921d-01 6.85927d-02 F+ 1 1.04777d+01 2.93089d+00 4.08941d-01 1.97529d-01 1.11282d-01 7.23120d-02