Tm [Xe]6s(2)4f(13) 26s23/20p16/16d13/13f Nucleus Model : Gaussian Charge Distribution Nuclear Charge = 69.0 Atomic Mass = 169.0 Parameter Alpha = 1.558170E+08 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 0.57142857 0.0 0.0 0.0 0.0 0.0 6.0 7.0 2 0.42857143 0.0 0.0 0.0 0.0 0.0 5.0 8.0 ENERGIES Total Energy = -1.357431585980960E+04 Mass Energy = -1.357183977317788E+04 Kinetic Energy = 2.859656260136279E+04 Potential Energy = -2.859903868799452E+04 SINGLE-FAMILY EXPONENT BASIS SET Exponent S+ P- P+ D- D+ F- F+ 6.4275842550E+07 o 1.5655618220E+07 o o 4.4576052889E+06 o o 1.3795271728E+06 o o 4.6146682980E+05 o o o 1.6423968754E+05 o o o 6.1812928134E+04 o o o 2.4469770586E+04 o o o o o 1.0145472561E+04 o o o o o 4.3867661480E+03 o o o o o 1.9709387969E+03 o o o o o 9.1777923249E+02 o o o o o o o 4.4123435692E+02 o o o o o o o 2.1876159555E+02 o o o o o o o 1.1164013180E+02 o o o o o o o 5.7881586311E+01 o o o o o o o 3.0543471316E+01 o o o o o o o 1.6345954478E+01 o o o o o o o 8.5932612686E+00 o o o o o o o 4.3998113802E+00 o o o o o o o 2.1828798739E+00 o o o o o o o 1.0266244824E+00 o o o o o o o 4.5489868068E-01 o o o o o o o 1.8367499224E-01 o o o o o 6.7594306808E-02 o 2.6227649753E-02 o NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 6.4275842550E+07 1.0000000000E+00 1.0000000000E+00 2 1.5655618220E+07 1.0000000000E+00 1.0000000000E+00 3 4.4576052889E+06 1.0000000000E+00 1.0000000000E+00 4 1.3795271728E+06 1.0000000000E+00 1.0000000000E+00 5 4.6146682980E+05 1.0000000000E+00 1.0000000000E+00 6 1.6423968754E+05 1.0000000000E+00 1.0000000000E+00 7 6.1812928134E+04 1.0000000000E+00 1.0000000000E+00 8 2.4469770586E+04 1.0000000000E+00 1.0000000000E+00 9 1.0145472561E+04 1.0000000000E+00 1.0000000000E+00 10 4.3867661480E+03 1.0000000000E+00 1.0000000000E+00 11 1.9709387969E+03 1.0000000000E+00 1.0000000000E+00 12 9.1777923249E+02 1.0000000000E+00 1.0000000000E+00 13 4.4123435692E+02 1.0000000000E+00 1.0000000000E+00 14 2.1876159555E+02 1.0000000000E+00 1.0000000000E+00 15 1.1164013180E+02 1.0000000000E+00 1.0000000000E+00 16 5.7881586311E+01 1.0000000000E+00 1.0000000000E+00 17 3.0543471316E+01 1.0000000000E+00 1.0000000000E+00 18 1.6345954478E+01 1.0000000000E+00 1.0000000000E+00 19 8.5932612686E+00 1.0000000000E+00 1.0000000000E+00 20 4.3998113802E+00 1.0000000000E+00 1.0000000000E+00 21 2.1828798739E+00 1.0000000000E+00 1.0000000000E+00 22 1.0266244824E+00 1.0000000000E+00 1.0000000000E+00 23 4.5489868068E-01 1.0000000000E+00 1.0000000000E+00 24 1.8367499224E-01 1.0000000000E+00 1.0000000000E+00 25 6.7594306808E-02 1.0000000000E+00 1.0000000000E+00 26 2.6227649753E-02 1.0000000000E+00 1.0000000000E+00 P- 1 1.5655618220E+07 1.0000000000E+00 1.0000000000E+00 2 4.4576052889E+06 1.0000000000E+00 1.0000000000E+00 3 1.3795271728E+06 1.0000000000E+00 1.0000000000E+00 4 4.6146682980E+05 1.0000000000E+00 1.0000000000E+00 5 1.6423968754E+05 1.0000000000E+00 1.0000000000E+00 6 6.1812928134E+04 1.0000000000E+00 1.0000000000E+00 7 2.4469770586E+04 1.0000000000E+00 1.0000000000E+00 8 1.0145472561E+04 1.0000000000E+00 1.0000000000E+00 9 4.3867661480E+03 1.0000000000E+00 1.0000000000E+00 10 1.9709387969E+03 1.0000000000E+00 1.0000000000E+00 11 9.1777923249E+02 1.0000000000E+00 1.0000000000E+00 12 4.4123435692E+02 1.0000000000E+00 1.0000000000E+00 13 2.1876159555E+02 1.0000000000E+00 1.0000000000E+00 14 1.1164013180E+02 1.0000000000E+00 1.0000000000E+00 15 5.7881586311E+01 1.0000000000E+00 1.0000000000E+00 16 3.0543471316E+01 1.0000000000E+00 1.0000000000E+00 17 1.6345954478E+01 1.0000000000E+00 1.0000000000E+00 18 8.5932612686E+00 1.0000000000E+00 1.0000000000E+00 19 4.3998113802E+00 1.0000000000E+00 1.0000000000E+00 20 2.1828798739E+00 1.0000000000E+00 1.0000000000E+00 21 1.0266244824E+00 1.0000000000E+00 1.0000000000E+00 22 4.5489868068E-01 1.0000000000E+00 1.0000000000E+00 23 1.8367499224E-01 1.0000000000E+00 1.0000000000E+00 P+ 1 4.6146682980E+05 1.0000000000E+00 1.0000000000E+00 2 1.6423968754E+05 1.0000000000E+00 1.0000000000E+00 3 6.1812928134E+04 1.0000000000E+00 1.0000000000E+00 4 2.4469770586E+04 1.0000000000E+00 1.0000000000E+00 5 1.0145472561E+04 1.0000000000E+00 1.0000000000E+00 6 4.3867661480E+03 1.0000000000E+00 1.0000000000E+00 7 1.9709387969E+03 1.0000000000E+00 1.0000000000E+00 8 9.1777923249E+02 1.0000000000E+00 1.0000000000E+00 9 4.4123435692E+02 1.0000000000E+00 1.0000000000E+00 10 2.1876159555E+02 1.0000000000E+00 1.0000000000E+00 11 1.1164013180E+02 1.0000000000E+00 1.0000000000E+00 12 5.7881586311E+01 1.0000000000E+00 1.0000000000E+00 13 3.0543471316E+01 1.0000000000E+00 1.0000000000E+00 14 1.6345954478E+01 1.0000000000E+00 1.0000000000E+00 15 8.5932612686E+00 1.0000000000E+00 1.0000000000E+00 16 4.3998113802E+00 1.0000000000E+00 1.0000000000E+00 17 2.1828798739E+00 1.0000000000E+00 1.0000000000E+00 18 1.0266244824E+00 1.0000000000E+00 1.0000000000E+00 19 4.5489868068E-01 1.0000000000E+00 1.0000000000E+00 20 1.8367499224E-01 1.0000000000E+00 1.0000000000E+00 D- 1 2.4469770586E+04 1.0000000000E+00 1.0000000000E+00 2 1.0145472561E+04 1.0000000000E+00 1.0000000000E+00 3 4.3867661480E+03 1.0000000000E+00 1.0000000000E+00 4 1.9709387969E+03 1.0000000000E+00 1.0000000000E+00 5 9.1777923249E+02 1.0000000000E+00 1.0000000000E+00 6 4.4123435692E+02 1.0000000000E+00 1.0000000000E+00 7 2.1876159555E+02 1.0000000000E+00 1.0000000000E+00 8 1.1164013180E+02 1.0000000000E+00 1.0000000000E+00 9 5.7881586311E+01 1.0000000000E+00 1.0000000000E+00 10 3.0543471316E+01 1.0000000000E+00 1.0000000000E+00 11 1.6345954478E+01 1.0000000000E+00 1.0000000000E+00 12 8.5932612686E+00 1.0000000000E+00 1.0000000000E+00 13 4.3998113802E+00 1.0000000000E+00 1.0000000000E+00 14 2.1828798739E+00 1.0000000000E+00 1.0000000000E+00 15 1.0266244824E+00 1.0000000000E+00 1.0000000000E+00 16 4.5489868068E-01 1.0000000000E+00 1.0000000000E+00 D+ 1 2.4469770586E+04 1.0000000000E+00 1.0000000000E+00 2 1.0145472561E+04 1.0000000000E+00 1.0000000000E+00 3 4.3867661480E+03 1.0000000000E+00 1.0000000000E+00 4 1.9709387969E+03 1.0000000000E+00 1.0000000000E+00 5 9.1777923249E+02 1.0000000000E+00 1.0000000000E+00 6 4.4123435692E+02 1.0000000000E+00 1.0000000000E+00 7 2.1876159555E+02 1.0000000000E+00 1.0000000000E+00 8 1.1164013180E+02 1.0000000000E+00 1.0000000000E+00 9 5.7881586311E+01 1.0000000000E+00 1.0000000000E+00 10 3.0543471316E+01 1.0000000000E+00 1.0000000000E+00 11 1.6345954478E+01 1.0000000000E+00 1.0000000000E+00 12 8.5932612686E+00 1.0000000000E+00 1.0000000000E+00 13 4.3998113802E+00 1.0000000000E+00 1.0000000000E+00 14 2.1828798739E+00 1.0000000000E+00 1.0000000000E+00 15 1.0266244824E+00 1.0000000000E+00 1.0000000000E+00 16 4.5489868068E-01 1.0000000000E+00 1.0000000000E+00 F- 1 9.1777923249E+02 1.0000000000E+00 1.0000000000E+00 2 4.4123435692E+02 1.0000000000E+00 1.0000000000E+00 3 2.1876159555E+02 1.0000000000E+00 1.0000000000E+00 4 1.1164013180E+02 1.0000000000E+00 1.0000000000E+00 5 5.7881586311E+01 1.0000000000E+00 1.0000000000E+00 6 3.0543471316E+01 1.0000000000E+00 1.0000000000E+00 7 1.6345954478E+01 1.0000000000E+00 1.0000000000E+00 8 8.5932612686E+00 1.0000000000E+00 1.0000000000E+00 9 4.3998113802E+00 1.0000000000E+00 1.0000000000E+00 10 2.1828798739E+00 1.0000000000E+00 1.0000000000E+00 11 1.0266244824E+00 1.0000000000E+00 1.0000000000E+00 12 4.5489868068E-01 1.0000000000E+00 1.0000000000E+00 13 1.8367499224E-01 1.0000000000E+00 1.0000000000E+00 F+ 1 9.1777923249E+02 1.0000000000E+00 1.0000000000E+00 2 4.4123435692E+02 1.0000000000E+00 1.0000000000E+00 3 2.1876159555E+02 1.0000000000E+00 1.0000000000E+00 4 1.1164013180E+02 1.0000000000E+00 1.0000000000E+00 5 5.7881586311E+01 1.0000000000E+00 1.0000000000E+00 6 3.0543471316E+01 1.0000000000E+00 1.0000000000E+00 7 1.6345954478E+01 1.0000000000E+00 1.0000000000E+00 8 8.5932612686E+00 1.0000000000E+00 1.0000000000E+00 9 4.3998113802E+00 1.0000000000E+00 1.0000000000E+00 10 2.1828798739E+00 1.0000000000E+00 1.0000000000E+00 11 1.0266244824E+00 1.0000000000E+00 1.0000000000E+00 12 4.5489868068E-01 1.0000000000E+00 1.0000000000E+00 13 1.8367499224E-01 1.0000000000E+00 1.0000000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -2.1957436E+03 -3.7509406E+02 -8.6322342E+01 -1.8000920E+01 -2.3785012E+00 -1.9421082E-01 ------------ ------------ ------------ ------------ ------------ ------------ *** Large-Component *** 1 9.9295470E-05 -3.6860413E-05 1.7321950E-05 8.3933568E-06 3.2129860E-06 7.7899405E-07 2 2.7717445E-04 -1.0322199E-04 4.8529325E-05 2.3515033E-05 9.0008549E-06 2.1819099E-06 3 6.8514894E-04 -2.5627781E-04 1.2057859E-04 5.8444860E-05 2.2374971E-05 5.4252192E-06 4 1.5645505E-03 -5.8920857E-04 2.7748945E-04 1.3450581E-04 5.1486862E-05 1.2480147E-05 5 3.5477437E-03 -1.3482694E-03 6.3594455E-04 3.0844542E-04 1.1810882E-04 2.8641536E-05 6 8.0439258E-03 -3.0925984E-03 1.4610440E-03 7.0864892E-04 2.7127594E-04 6.5745992E-05 7 1.8304549E-02 -7.1417810E-03 3.3825868E-03 1.6424266E-03 6.2913519E-04 1.5260514E-04 8 4.1195078E-02 -1.6401966E-02 7.7909631E-03 3.7829562E-03 1.4482803E-03 3.5090883E-04 9 8.9065892E-02 -3.6678274E-02 1.7527055E-02 8.5301017E-03 3.2697896E-03 7.9349386E-04 10 1.7514769E-01 -7.6794338E-02 3.7063258E-02 1.8057747E-02 6.9165745E-03 1.6750398E-03 11 2.8355352E-01 -1.4040065E-01 6.9291562E-02 3.4002577E-02 1.3064248E-02 3.1741773E-03 12 3.1475557E-01 -1.9008291E-01 9.7232007E-02 4.7961220E-02 1.8398554E-02 4.4463860E-03 13 1.7440666E-01 -9.4520665E-02 4.8383715E-02 2.4272133E-02 9.4546397E-03 2.3380578E-03 14 2.7015543E-02 2.6934705E-01 -2.0161566E-01 -1.0991292E-01 -4.3429461E-02 -1.0675764E-02 15 1.6583393E-03 5.5792501E-01 -5.4499572E-01 -3.1325899E-01 -1.2394830E-01 -2.9917384E-02 16 -9.2550377E-04 3.0791912E-01 -3.4424813E-01 -2.2360319E-01 -9.3550848E-02 -2.3513908E-02 17 7.2495439E-04 3.4233660E-02 5.7371387E-01 5.2849560E-01 2.3868967E-01 6.0315861E-02 18 -5.7882043E-04 2.9309858E-03 7.0976554E-01 9.3166184E-01 4.3872701E-01 1.0669906E-01 19 3.6706260E-04 -1.4097905E-03 1.4275360E-01 -2.1656566E-01 -1.4126739E-01 -3.1862815E-02 20 -2.0533180E-04 6.0694567E-04 8.1425946E-03 -9.6023141E-01 -7.3940222E-01 -2.0431583E-01 21 1.0897728E-04 -3.7741058E-04 -7.8564795E-04 -3.2362252E-01 -3.8750500E-01 -9.9478998E-02 22 -5.2066933E-05 1.8176782E-04 6.7460317E-04 -3.5283060E-03 6.6158397E-01 1.9758713E-01 23 2.2814725E-05 -7.5704555E-05 -3.8921377E-04 -4.1818985E-03 7.0930682E-01 3.8958179E-01 24 -9.3753781E-06 3.2098398E-05 1.4907123E-04 1.2881763E-03 7.6362441E-02 1.0258988E-01 25 3.6741543E-06 -1.2530706E-05 -6.0708246E-05 -5.2423048E-04 -2.4976987E-03 -6.8622018E-01 26 -1.0728636E-06 3.6608137E-06 1.7857505E-05 1.5332585E-04 3.6205009E-04 -5.2382160E-01 *** Small-Component *** 27 1.3774918E-04 -5.1019405E-05 2.3969431E-05 1.1615814E-05 4.4473384E-06 1.0786006E-06 28 5.2922913E-04 -1.9602496E-04 9.2075297E-05 4.4599268E-05 1.7067853E-05 4.1363859E-06 29 1.2493445E-03 -4.6301188E-04 2.1754952E-04 1.0542981E-04 4.0366356E-05 9.7900679E-06 30 2.6727509E-03 -9.9122996E-04 4.6567355E-04 2.2555821E-04 8.6315217E-05 2.0916402E-05 31 5.3129073E-03 -1.9736691E-03 9.2773415E-04 4.4967857E-04 1.7218669E-04 4.1765595E-05 32 1.0086509E-02 -3.7583597E-03 1.7669452E-03 8.5592934E-04 3.2752508E-04 7.9356617E-05 33 1.8210911E-02 -6.8317681E-03 3.2167318E-03 1.5599524E-03 5.9744009E-04 1.4494238E-04 34 3.1115816E-02 -1.1836857E-02 5.5839859E-03 2.7067566E-03 1.0357885E-03 2.5090971E-04 35 4.9299275E-02 -1.9327358E-02 9.1694982E-03 4.4555690E-03 1.7074414E-03 4.1439028E-04 36 6.9405510E-02 -2.8942203E-02 1.3868381E-02 6.7453473E-03 2.5825358E-03 6.2533899E-04 37 7.9415482E-02 -3.7453432E-02 1.8364014E-02 8.9984948E-03 3.4563622E-03 8.3980793E-04 38 6.2063434E-02 -3.5866961E-02 1.8258147E-02 8.9964157E-03 3.4502828E-03 8.3378321E-04 39 2.4241036E-02 -1.2916012E-02 6.6606430E-03 3.3458380E-03 1.3031127E-03 3.2199202E-04 40 2.6647657E-03 2.4864589E-02 -1.8439863E-02 -1.0034257E-02 -3.9636543E-03 -9.7448869E-04 41 1.1603968E-04 3.7375239E-02 -3.6248254E-02 -2.0808836E-02 -8.2312362E-03 -1.9866655E-03 42 -4.7006044E-05 1.4914936E-02 -1.6628115E-02 -1.0800177E-02 -4.5178109E-03 -1.1353471E-03 43 2.6851541E-05 1.2067729E-03 2.0005594E-02 1.8393547E-02 8.3042340E-03 2.0984754E-03 44 -1.5639529E-05 7.5024125E-05 1.8163993E-02 2.3808725E-02 1.1210198E-02 2.7263436E-03 45 7.1984967E-06 -2.6083212E-05 2.6491298E-03 -4.0031058E-03 -2.6100475E-03 -5.8846584E-04 46 -2.8835942E-06 7.9792646E-06 1.0857363E-04 -1.2731638E-02 -9.8002935E-03 -2.7079638E-03 47 1.0765509E-06 -3.4776474E-06 -7.5900189E-06 -3.0230097E-03 -3.6187772E-03 -9.2903987E-04 48 -3.5232504E-07 1.1371848E-06 4.4387449E-06 -2.2570146E-05 4.2362306E-03 1.2651214E-03 49 1.0256359E-07 -3.0905943E-07 -1.7105672E-06 -1.7843720E-05 3.0234652E-03 1.6605436E-03 50 -2.6669314E-08 8.0783617E-08 4.2457489E-07 3.4952487E-06 2.0683538E-04 2.7786716E-04 51 6.2902691E-09 -1.7923301E-08 -1.0810003E-07 -8.6360049E-07 -4.1042508E-06 -1.1274942E-03 52 -1.1269648E-09 2.8564535E-09 2.0944505E-08 1.5759645E-07 3.7061165E-07 -5.3611797E-04 2P- 3P- 4P- 5P- -3.5667072E+02 -7.8234513E+01 -1.4699897E+01 -1.3866775E+00 ------------ ------------ ------------ ------------ *** Large-Component *** 1 5.7711939E-05 -2.8606106E-05 -1.3663749E-05 4.7198678E-06 2 9.3300172E-05 -4.6250094E-05 -2.2090565E-05 7.6302784E-06 3 2.4347064E-04 -1.2071142E-04 -5.7662933E-05 1.9919376E-05 4 4.6385297E-04 -2.3005051E-04 -1.0988645E-04 3.7954552E-05 5 9.7170059E-04 -4.8229604E-04 -2.3046735E-04 7.9625761E-05 6 1.9258743E-03 -9.5729587E-04 -4.5742890E-04 1.5798549E-04 7 4.0444530E-03 -2.0168055E-03 -9.6496460E-04 3.3354363E-04 8 8.8704927E-03 -4.4469069E-03 -2.1283801E-03 7.3515350E-04 9 2.0924780E-02 -1.0593624E-02 -5.0875322E-03 1.7603032E-03 10 5.0839815E-02 -2.6160167E-02 -1.2592037E-02 4.3533306E-03 11 1.1879448E-01 -6.2960547E-02 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