Sm [Xe]6s(2)4f(6) 26s23/20p16/16d13/13f Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 62.0 Atomic Mass = 152.0 Nuclear Radius = 1.227514E-04 Speed of Light = 137.0359895 S+ P- P+ D- D+ F- F+ Number of Closed Shells 6 4 4 2 2 0 0 Open Shells 0 0 0 0 0 1 1 Conf Weight Open Shell Occupation Numbers 1 0.00033300 0.0 0.0 0.0 0.0 0.0 6.0 0.0 2 0.01598402 0.0 0.0 0.0 0.0 0.0 5.0 1.0 3 0.13986014 0.0 0.0 0.0 0.0 0.0 4.0 2.0 4 0.37296037 0.0 0.0 0.0 0.0 0.0 3.0 3.0 5 0.34965035 0.0 0.0 0.0 0.0 0.0 2.0 4.0 6 0.11188811 0.0 0.0 0.0 0.0 0.0 1.0 5.0 7 0.00932401 0.0 0.0 0.0 0.0 0.0 0.0 6.0 ENERGIES Total Energy = -1.042915824563788E+04 Mass Energy = -1.042796307861249E+04 Kinetic Energy = 2.173407922056126E+04 Potential Energy = -2.173527438758665E+04 VIRIAL -[+(CORR )]/ = 1.00000002443507 SINGLE-FAMILY EXPONENT BASIS SET Exponent S+ P- P+ D- D+ F- F+ 4.7329763575E+07 o 1.0602470974E+07 o o 2.9978641394E+06 o o 9.2914739470E+05 o o 3.1248141209E+05 o o o 1.1212105009E+05 o o o 4.2661720180E+04 o o o 1.7087530469E+04 o o o o o 7.1693806266E+03 o o o o o 3.1378828371E+03 o o o o o 1.4273926947E+03 o o o o o 6.7283234399E+02 o o o o o o o 3.2684613867E+02 o o o o o o o 1.6348361000E+02 o o o o o o o 8.4043936335E+01 o o o o o o o 4.3769223203E+01 o o o o o o o 2.3143421955E+01 o o o o o o o 1.2417861522E+01 o o o o o o o 6.5338067285E+00 o o o o o o o 3.3593828793E+00 o o o o o o o 1.6824312884E+00 o o o o o o o 8.0086310742E-01 o o o o o o o 3.6105792698E-01 o o o o o o o 1.4808627036E-01 o o o o o 5.7291110486E-02 o 2.2866136018E-02 o NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 4.7329763575E+07 1.0000000000E+00 1.0000000000E+00 2 1.0602470974E+07 1.0000000000E+00 1.0000000000E+00 3 2.9978641394E+06 1.0000000000E+00 1.0000000000E+00 4 9.2914739470E+05 1.0000000000E+00 1.0000000000E+00 5 3.1248141209E+05 1.0000000000E+00 1.0000000000E+00 6 1.1212105009E+05 1.0000000000E+00 1.0000000000E+00 7 4.2661720180E+04 1.0000000000E+00 1.0000000000E+00 8 1.7087530469E+04 1.0000000000E+00 1.0000000000E+00 9 7.1693806266E+03 1.0000000000E+00 1.0000000000E+00 10 3.1378828371E+03 1.0000000000E+00 1.0000000000E+00 11 1.4273926947E+03 1.0000000000E+00 1.0000000000E+00 12 6.7283234399E+02 1.0000000000E+00 1.0000000000E+00 13 3.2684613867E+02 1.0000000000E+00 1.0000000000E+00 14 1.6348361000E+02 1.0000000000E+00 1.0000000000E+00 15 8.4043936335E+01 1.0000000000E+00 1.0000000000E+00 16 4.3769223203E+01 1.0000000000E+00 1.0000000000E+00 17 2.3143421955E+01 1.0000000000E+00 1.0000000000E+00 18 1.2417861522E+01 1.0000000000E+00 1.0000000000E+00 19 6.5338067285E+00 1.0000000000E+00 1.0000000000E+00 20 3.3593828793E+00 1.0000000000E+00 1.0000000000E+00 21 1.6824312884E+00 1.0000000000E+00 1.0000000000E+00 22 8.0086310742E-01 1.0000000000E+00 1.0000000000E+00 23 3.6105792698E-01 1.0000000000E+00 1.0000000000E+00 24 1.4808627036E-01 1.0000000000E+00 1.0000000000E+00 25 5.7291110486E-02 1.0000000000E+00 1.0000000000E+00 26 2.2866136018E-02 1.0000000000E+00 1.0000000000E+00 P- 1 1.0602470974E+07 1.0000000000E+00 1.0000000000E+00 2 2.9978641394E+06 1.0000000000E+00 1.0000000000E+00 3 9.2914739470E+05 1.0000000000E+00 1.0000000000E+00 4 3.1248141209E+05 1.0000000000E+00 1.0000000000E+00 5 1.1212105009E+05 1.0000000000E+00 1.0000000000E+00 6 4.2661720180E+04 1.0000000000E+00 1.0000000000E+00 7 1.7087530469E+04 1.0000000000E+00 1.0000000000E+00 8 7.1693806266E+03 1.0000000000E+00 1.0000000000E+00 9 3.1378828371E+03 1.0000000000E+00 1.0000000000E+00 10 1.4273926947E+03 1.0000000000E+00 1.0000000000E+00 11 6.7283234399E+02 1.0000000000E+00 1.0000000000E+00 12 3.2684613867E+02 1.0000000000E+00 1.0000000000E+00 13 1.6348361000E+02 1.0000000000E+00 1.0000000000E+00 14 8.4043936335E+01 1.0000000000E+00 1.0000000000E+00 15 4.3769223203E+01 1.0000000000E+00 1.0000000000E+00 16 2.3143421955E+01 1.0000000000E+00 1.0000000000E+00 17 1.2417861522E+01 1.0000000000E+00 1.0000000000E+00 18 6.5338067285E+00 1.0000000000E+00 1.0000000000E+00 19 3.3593828793E+00 1.0000000000E+00 1.0000000000E+00 20 1.6824312884E+00 1.0000000000E+00 1.0000000000E+00 21 8.0086310742E-01 1.0000000000E+00 1.0000000000E+00 22 3.6105792698E-01 1.0000000000E+00 1.0000000000E+00 23 1.4808627036E-01 1.0000000000E+00 1.0000000000E+00 P+ 1 3.1248141209E+05 1.0000000000E+00 1.0000000000E+00 2 1.1212105009E+05 1.0000000000E+00 1.0000000000E+00 3 4.2661720180E+04 1.0000000000E+00 1.0000000000E+00 4 1.7087530469E+04 1.0000000000E+00 1.0000000000E+00 5 7.1693806266E+03 1.0000000000E+00 1.0000000000E+00 6 3.1378828371E+03 1.0000000000E+00 1.0000000000E+00 7 1.4273926947E+03 1.0000000000E+00 1.0000000000E+00 8 6.7283234399E+02 1.0000000000E+00 1.0000000000E+00 9 3.2684613867E+02 1.0000000000E+00 1.0000000000E+00 10 1.6348361000E+02 1.0000000000E+00 1.0000000000E+00 11 8.4043936335E+01 1.0000000000E+00 1.0000000000E+00 12 4.3769223203E+01 1.0000000000E+00 1.0000000000E+00 13 2.3143421955E+01 1.0000000000E+00 1.0000000000E+00 14 1.2417861522E+01 1.0000000000E+00 1.0000000000E+00 15 6.5338067285E+00 1.0000000000E+00 1.0000000000E+00 16 3.3593828793E+00 1.0000000000E+00 1.0000000000E+00 17 1.6824312884E+00 1.0000000000E+00 1.0000000000E+00 18 8.0086310742E-01 1.0000000000E+00 1.0000000000E+00 19 3.6105792698E-01 1.0000000000E+00 1.0000000000E+00 20 1.4808627036E-01 1.0000000000E+00 1.0000000000E+00 D- 1 1.7087530469E+04 1.0000000000E+00 1.0000000000E+00 2 7.1693806266E+03 1.0000000000E+00 1.0000000000E+00 3 3.1378828371E+03 1.0000000000E+00 1.0000000000E+00 4 1.4273926947E+03 1.0000000000E+00 1.0000000000E+00 5 6.7283234399E+02 1.0000000000E+00 1.0000000000E+00 6 3.2684613867E+02 1.0000000000E+00 1.0000000000E+00 7 1.6348361000E+02 1.0000000000E+00 1.0000000000E+00 8 8.4043936335E+01 1.0000000000E+00 1.0000000000E+00 9 4.3769223203E+01 1.0000000000E+00 1.0000000000E+00 10 2.3143421955E+01 1.0000000000E+00 1.0000000000E+00 11 1.2417861522E+01 1.0000000000E+00 1.0000000000E+00 12 6.5338067285E+00 1.0000000000E+00 1.0000000000E+00 13 3.3593828793E+00 1.0000000000E+00 1.0000000000E+00 14 1.6824312884E+00 1.0000000000E+00 1.0000000000E+00 15 8.0086310742E-01 1.0000000000E+00 1.0000000000E+00 16 3.6105792698E-01 1.0000000000E+00 1.0000000000E+00 D+ 1 1.7087530469E+04 1.0000000000E+00 1.0000000000E+00 2 7.1693806266E+03 1.0000000000E+00 1.0000000000E+00 3 3.1378828371E+03 1.0000000000E+00 1.0000000000E+00 4 1.4273926947E+03 1.0000000000E+00 1.0000000000E+00 5 6.7283234399E+02 1.0000000000E+00 1.0000000000E+00 6 3.2684613867E+02 1.0000000000E+00 1.0000000000E+00 7 1.6348361000E+02 1.0000000000E+00 1.0000000000E+00 8 8.4043936335E+01 1.0000000000E+00 1.0000000000E+00 9 4.3769223203E+01 1.0000000000E+00 1.0000000000E+00 10 2.3143421955E+01 1.0000000000E+00 1.0000000000E+00 11 1.2417861522E+01 1.0000000000E+00 1.0000000000E+00 12 6.5338067285E+00 1.0000000000E+00 1.0000000000E+00 13 3.3593828793E+00 1.0000000000E+00 1.0000000000E+00 14 1.6824312884E+00 1.0000000000E+00 1.0000000000E+00 15 8.0086310742E-01 1.0000000000E+00 1.0000000000E+00 16 3.6105792698E-01 1.0000000000E+00 1.0000000000E+00 F- 1 6.7283234399E+02 1.0000000000E+00 1.0000000000E+00 2 3.2684613867E+02 1.0000000000E+00 1.0000000000E+00 3 1.6348361000E+02 1.0000000000E+00 1.0000000000E+00 4 8.4043936335E+01 1.0000000000E+00 1.0000000000E+00 5 4.3769223203E+01 1.0000000000E+00 1.0000000000E+00 6 2.3143421955E+01 1.0000000000E+00 1.0000000000E+00 7 1.2417861522E+01 1.0000000000E+00 1.0000000000E+00 8 6.5338067285E+00 1.0000000000E+00 1.0000000000E+00 9 3.3593828793E+00 1.0000000000E+00 1.0000000000E+00 10 1.6824312884E+00 1.0000000000E+00 1.0000000000E+00 11 8.0086310742E-01 1.0000000000E+00 1.0000000000E+00 12 3.6105792698E-01 1.0000000000E+00 1.0000000000E+00 13 1.4808627036E-01 1.0000000000E+00 1.0000000000E+00 F+ 1 6.7283234399E+02 1.0000000000E+00 1.0000000000E+00 2 3.2684613867E+02 1.0000000000E+00 1.0000000000E+00 3 1.6348361000E+02 1.0000000000E+00 1.0000000000E+00 4 8.4043936335E+01 1.0000000000E+00 1.0000000000E+00 5 4.3769223203E+01 1.0000000000E+00 1.0000000000E+00 6 2.3143421955E+01 1.0000000000E+00 1.0000000000E+00 7 1.2417861522E+01 1.0000000000E+00 1.0000000000E+00 8 6.5338067285E+00 1.0000000000E+00 1.0000000000E+00 9 3.3593828793E+00 1.0000000000E+00 1.0000000000E+00 10 1.6824312884E+00 1.0000000000E+00 1.0000000000E+00 11 8.0086310742E-01 1.0000000000E+00 1.0000000000E+00 12 3.6105792698E-01 1.0000000000E+00 1.0000000000E+00 13 1.4808627036E-01 1.0000000000E+00 1.0000000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -1.7312080E+03 -2.8710973E+02 -6.4711655E+01 -1.3674935E+01 -1.9748999E+00 -1.7871664E-01 ------------ ------------ ------------ ------------ ------------ ------------ *** Large-Component *** 1 9.2266244E-05 -3.3259499E-05 -1.5356199E-05 -7.3285300E-06 -2.8638032E-06 -7.3990492E-07 2 2.3826690E-04 -8.6188518E-05 -3.9812420E-05 -1.9000065E-05 -7.4240567E-06 -1.9177751E-06 3 5.9423692E-04 -2.1588918E-04 -9.9799370E-05 -4.7643223E-05 -1.8619957E-05 -4.8112014E-06 4 1.3977802E-03 -5.1121296E-04 -2.3652329E-04 -1.1291280E-04 -4.4119830E-05 -1.1395874E-05 5 3.3022035E-03 -1.2178529E-03 -5.6428139E-04 -2.6954513E-04 -1.0536640E-04 -2.7230179E-05 6 7.7994177E-03 -2.9065523E-03 -1.3484670E-03 -6.4406349E-04 -2.5166354E-04 -6.4990803E-05 7 1.8431137E-02 -6.9611366E-03 -3.2373343E-03 -1.5479216E-03 -6.0530594E-04 -1.5647701E-04 8 4.2772628E-02 -1.6481044E-02 -7.6847158E-03 -3.6739191E-03 -1.4356061E-03 -3.7062486E-04 9 9.4186903E-02 -3.7622614E-02 -1.7655077E-02 -8.4610431E-03 -3.3110817E-03 -8.5637182E-04 10 1.8554576E-01 -7.9511035E-02 -3.7706828E-02 -1.8090201E-02 -7.0719612E-03 -1.8247850E-03 11 2.9452264E-01 -1.4482648E-01 -7.0395394E-02 -3.4030652E-02 -1.3350818E-02 -3.4576941E-03 12 3.1147041E-01 -1.9185193E-01 -9.6955465E-02 -4.7126089E-02 -1.8448507E-02 -4.7489172E-03 13 1.5839075E-01 -8.4711604E-02 -4.3386282E-02 -2.1576672E-02 -8.6211504E-03 -2.2825465E-03 14 2.0942987E-02 2.8760786E-01 2.0991424E-01 1.1217072E-01 4.5236354E-02 1.1859764E-02 15 1.6207987E-03 5.5625354E-01 5.3715146E-01 3.0261448E-01 1.2195746E-01 3.1346378E-02 16 -9.7265053E-04 2.9553532E-01 3.2901586E-01 2.1010848E-01 9.0048326E-02 2.4213690E-02 17 7.2454719E-04 3.2676373E-02 -5.5492127E-01 -4.8499277E-01 -2.2281510E-01 -6.0244898E-02 18 -5.7218510E-04 2.8393130E-03 -7.1090611E-01 -9.2156308E-01 -4.4208349E-01 -1.1469358E-01 19 3.6155577E-04 -1.3110319E-03 -1.5173754E-01 1.4379111E-01 9.7963752E-02 2.1899959E-02 20 -2.0472526E-04 5.2913860E-04 -8.4710768E-03 9.6617485E-01 7.4906129E-01 2.2283344E-01 21 1.1104447E-04 -3.5727374E-04 5.4618900E-04 3.5525924E-01 4.5193966E-01 1.2506954E-01 22 -5.4053976E-05 1.7510444E-04 -5.8323951E-04 5.5319903E-03 -6.6267334E-01 -2.1416580E-01 23 2.4081670E-05 -7.3057756E-05 3.8168996E-04 4.6748919E-03 -7.3690112E-01 -4.3004156E-01 24 -1.0137163E-05 3.1980270E-05 -1.4568584E-04 -1.4643539E-03 -7.7711021E-02 -1.0936485E-01 25 4.0849427E-06 -1.2826070E-05 6.1500477E-05 6.1622991E-04 2.5842771E-03 7.1202398E-01 26 -1.1608362E-06 3.6464932E-06 -1.7636306E-05 -1.7564393E-04 -3.3074200E-04 5.1728354E-01 *** Small-Component *** 27 1.4806783E-04 -5.3244503E-05 -2.4576624E-05 -1.1729734E-05 -4.5843755E-06 -1.1847407E-06 28 5.0322809E-04 -1.8098018E-04 -8.3517803E-05 -3.9844059E-05 -1.5565411E-05 -4.0198366E-06 29 1.1385916E-03 -4.0968804E-04 -1.8913002E-04 -9.0274740E-05 -3.5285208E-05 -9.1197918E-06 30 2.4447545E-03 -8.8031686E-04 -4.0630112E-04 -1.9382628E-04 -7.5713345E-05 -1.9550511E-05 31 4.8767711E-03 -1.7590394E-03 -8.1240295E-04 -3.8784039E-04 -1.5161016E-04 -3.9190681E-05 32 9.2949883E-03 -3.3639369E-03 -1.5537430E-03 -7.4127299E-04 -2.8953937E-04 -7.4752075E-05 33 1.6817434E-02 -6.1321062E-03 -2.8372097E-03 -1.3551860E-03 -5.2987085E-04 -1.3699888E-04 34 2.8776824E-02 -1.0660747E-02 -4.9421201E-03 -2.3594688E-03 -9.2161832E-04 -2.3788354E-04 35 4.5445783E-02 -1.7421732E-02 -8.1276586E-03 -3.8902499E-03 -1.5220587E-03 -3.9369442E-04 36 6.3230917E-02 -2.6008810E-02 -1.2263705E-02 -5.8758559E-03 -2.2962587E-03 -5.9243030E-04 37 7.0451917E-02 -3.3314950E-02 -1.6110687E-02 -7.7796774E-03 -3.0514601E-03 -7.9031113E-04 38 5.2352470E-02 -3.1142124E-02 -1.5679655E-02 -7.6151348E-03 -2.9805551E-03 -7.6720525E-04 39 1.8777249E-02 -9.9442523E-03 -5.1274517E-03 -2.5523912E-03 -1.0195031E-03 -2.6968523E-04 40 1.7664060E-03 2.3041910E-02 1.6696924E-02 8.9097482E-03 3.5923621E-03 9.4192838E-04 41 9.6675595E-05 3.2315880E-02 3.1033916E-02 1.7467330E-02 7.0381470E-03 1.8089202E-03 42 -4.1891483E-05 1.2426818E-02 1.3804619E-02 8.8147780E-03 3.7771987E-03 1.0155245E-03 43 2.2636705E-05 1.0007532E-03 -1.6849761E-02 -1.4704645E-02 -6.7536784E-03 -1.8260909E-03 44 -1.3011065E-05 6.3073931E-05 -1.5850384E-02 -2.0524336E-02 -9.8446591E-03 -2.5540814E-03 45 5.9205920E-06 -2.1007375E-05 -2.4543122E-03 2.3166391E-03 1.5778475E-03 3.5249008E-04 46 -2.3744977E-06 5.9999364E-06 -9.8538185E-05 1.1192973E-02 8.6754845E-03 2.5807290E-03 47 8.9506522E-07 -2.8536419E-06 4.6453774E-06 2.9130668E-03 3.7050509E-03 1.0253630E-03 48 -2.9200923E-07 9.5107571E-07 -3.3794103E-06 3.1279059E-05 -3.7477144E-03 -1.2111568E-03 49 8.3086270E-08 -2.5856983E-07 1.4853697E-06 1.7763547E-05 -2.7983905E-03 -1.6330282E-03 50 -2.0404761E-08 6.9411811E-08 -3.6923009E-07 -3.5648157E-06 -1.8899638E-04 -2.6597504E-04 51 4.1845871E-09 -1.5771435E-08 9.9223831E-08 9.3341719E-07 3.9089854E-06 1.0770455E-03 52 -4.3866598E-10 2.3193895E-09 -1.8787638E-08 -1.6820675E-07 -3.1597199E-07 4.9433600E-04 2P- 3P- 4P- 5P- -2.7144116E+02 -5.7955758E+01 -1.1010462E+01 -1.1700643E+00 ------------ ------------ ------------ ------------ *** Large-Component *** 1 4.7799404E-05 -2.3186414E-05 -1.0865408E-05 3.8670784E-06 2 7.1083881E-05 -3.4483818E-05 -1.6158442E-05 5.7503729E-06 3 1.9275690E-04 -9.3525808E-05 -4.3831712E-05 1.5601070E-05 4 3.6572598E-04 -1.7750617E-04 -8.3178177E-05 2.9598836E-05 5 7.8393851E-04 -3.8081760E-04 -1.7854512E-04 6.3563835E-05 6 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