W [Xe]6s(2)4f(14)5d(4) 27s24/21p18/18d14/14f Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 74.0 Atomic Mass = 184.0 Nuclear Radius = 1.299087E-04 Speed of Light = 137.0359895 S+ P- P+ D- D+ F- F+ Number of Closed Shells 6 4 4 2 2 1 1 Open Shells 0 0 0 1 1 0 0 Conf Weight Open Shell Occupation Numbers 1 0.00476190 0.0 0.0 0.0 4.0 0.0 0.0 0.0 2 0.11428571 0.0 0.0 0.0 3.0 1.0 0.0 0.0 3 0.42857143 0.0 0.0 0.0 2.0 2.0 0.0 0.0 4 0.38095238 0.0 0.0 0.0 1.0 3.0 0.0 0.0 5 0.07142857 0.0 0.0 0.0 0.0 4.0 0.0 0.0 ENERGIES Total Energy = -1.615616329532054E+04 Mass Energy = -1.615197219275255E+04 Kinetic Energy = 3.434160336794995E+04 Potential Energy = -3.434579447051795E+04 VIRIAL -[+(CORR )]/ = 1.00000001267909 SINGLE-FAMILY EXPONENT BASIS SET Exponent S+ P- P+ D- D+ F- F+ 4.7243855590E+07 o 1.1859719687E+07 o o 3.7135852649E+06 o o 1.2340630621E+06 o o 4.3813198388E+05 o o o 1.6300152698E+05 o o o 6.3576625067E+04 o o o 2.5871746556E+04 o o o o o 1.0949863080E+04 o o o o o 4.8085250643E+03 o o o o o 2.1868531868E+03 o o o o o o o 1.0285392386E+03 o o o o o o o 4.9846916778E+02 o o o o o o o 2.4895468352E+02 o o o o o o o 1.2789684589E+02 o o o o o o o 6.6801020484E+01 o o o o o o o 3.5541684984E+01 o o o o o o o 1.9137325281E+01 o o o o o o o 1.0146750034E+01 o o o o o o o 5.2615808148E+00 o o o o o o o 2.6587626087E+00 o o o o o o o 1.2863135808E+00 o o o o o o o 5.9188645056E-01 o o o o o o o 2.4952562906E-01 o o o o o o o 9.2734535121E-02 o o o o o 3.7233566851E-02 o 1.0456475633E-02 o NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 4.7243855590E+07 1.0000000000E+00 1.0000000000E+00 2 1.1859719687E+07 1.0000000000E+00 1.0000000000E+00 3 3.7135852649E+06 1.0000000000E+00 1.0000000000E+00 4 1.2340630621E+06 1.0000000000E+00 1.0000000000E+00 5 4.3813198388E+05 1.0000000000E+00 1.0000000000E+00 6 1.6300152698E+05 1.0000000000E+00 1.0000000000E+00 7 6.3576625067E+04 1.0000000000E+00 1.0000000000E+00 8 2.5871746556E+04 1.0000000000E+00 1.0000000000E+00 9 1.0949863080E+04 1.0000000000E+00 1.0000000000E+00 10 4.8085250643E+03 1.0000000000E+00 1.0000000000E+00 11 2.1868531868E+03 1.0000000000E+00 1.0000000000E+00 12 1.0285392386E+03 1.0000000000E+00 1.0000000000E+00 13 4.9846916778E+02 1.0000000000E+00 1.0000000000E+00 14 2.4895468352E+02 1.0000000000E+00 1.0000000000E+00 15 1.2789684589E+02 1.0000000000E+00 1.0000000000E+00 16 6.6801020484E+01 1.0000000000E+00 1.0000000000E+00 17 3.5541684984E+01 1.0000000000E+00 1.0000000000E+00 18 1.9137325281E+01 1.0000000000E+00 1.0000000000E+00 19 1.0146750034E+01 1.0000000000E+00 1.0000000000E+00 20 5.2615808148E+00 1.0000000000E+00 1.0000000000E+00 21 2.6587626087E+00 1.0000000000E+00 1.0000000000E+00 22 1.2863135808E+00 1.0000000000E+00 1.0000000000E+00 23 5.9188645056E-01 1.0000000000E+00 1.0000000000E+00 24 2.4952562906E-01 1.0000000000E+00 1.0000000000E+00 25 9.2734535121E-02 1.0000000000E+00 1.0000000000E+00 26 3.7233566851E-02 1.0000000000E+00 1.0000000000E+00 27 1.0456475633E-02 1.0000000000E+00 1.0000000000E+00 P- 1 1.1859719687E+07 1.0000000000E+00 1.0000000000E+00 2 3.7135852649E+06 1.0000000000E+00 1.0000000000E+00 3 1.2340630621E+06 1.0000000000E+00 1.0000000000E+00 4 4.3813198388E+05 1.0000000000E+00 1.0000000000E+00 5 1.6300152698E+05 1.0000000000E+00 1.0000000000E+00 6 6.3576625067E+04 1.0000000000E+00 1.0000000000E+00 7 2.5871746556E+04 1.0000000000E+00 1.0000000000E+00 8 1.0949863080E+04 1.0000000000E+00 1.0000000000E+00 9 4.8085250643E+03 1.0000000000E+00 1.0000000000E+00 10 2.1868531868E+03 1.0000000000E+00 1.0000000000E+00 11 1.0285392386E+03 1.0000000000E+00 1.0000000000E+00 12 4.9846916778E+02 1.0000000000E+00 1.0000000000E+00 13 2.4895468352E+02 1.0000000000E+00 1.0000000000E+00 14 1.2789684589E+02 1.0000000000E+00 1.0000000000E+00 15 6.6801020484E+01 1.0000000000E+00 1.0000000000E+00 16 3.5541684984E+01 1.0000000000E+00 1.0000000000E+00 17 1.9137325281E+01 1.0000000000E+00 1.0000000000E+00 18 1.0146750034E+01 1.0000000000E+00 1.0000000000E+00 19 5.2615808148E+00 1.0000000000E+00 1.0000000000E+00 20 2.6587626087E+00 1.0000000000E+00 1.0000000000E+00 21 1.2863135808E+00 1.0000000000E+00 1.0000000000E+00 22 5.9188645056E-01 1.0000000000E+00 1.0000000000E+00 23 2.4952562906E-01 1.0000000000E+00 1.0000000000E+00 24 9.2734535121E-02 1.0000000000E+00 1.0000000000E+00 P+ 1 4.3813198388E+05 1.0000000000E+00 1.0000000000E+00 2 1.6300152698E+05 1.0000000000E+00 1.0000000000E+00 3 6.3576625067E+04 1.0000000000E+00 1.0000000000E+00 4 2.5871746556E+04 1.0000000000E+00 1.0000000000E+00 5 1.0949863080E+04 1.0000000000E+00 1.0000000000E+00 6 4.8085250643E+03 1.0000000000E+00 1.0000000000E+00 7 2.1868531868E+03 1.0000000000E+00 1.0000000000E+00 8 1.0285392386E+03 1.0000000000E+00 1.0000000000E+00 9 4.9846916778E+02 1.0000000000E+00 1.0000000000E+00 10 2.4895468352E+02 1.0000000000E+00 1.0000000000E+00 11 1.2789684589E+02 1.0000000000E+00 1.0000000000E+00 12 6.6801020484E+01 1.0000000000E+00 1.0000000000E+00 13 3.5541684984E+01 1.0000000000E+00 1.0000000000E+00 14 1.9137325281E+01 1.0000000000E+00 1.0000000000E+00 15 1.0146750034E+01 1.0000000000E+00 1.0000000000E+00 16 5.2615808148E+00 1.0000000000E+00 1.0000000000E+00 17 2.6587626087E+00 1.0000000000E+00 1.0000000000E+00 18 1.2863135808E+00 1.0000000000E+00 1.0000000000E+00 19 5.9188645056E-01 1.0000000000E+00 1.0000000000E+00 20 2.4952562906E-01 1.0000000000E+00 1.0000000000E+00 21 9.2734535121E-02 1.0000000000E+00 1.0000000000E+00 D- 1 2.5871746556E+04 1.0000000000E+00 1.0000000000E+00 2 1.0949863080E+04 1.0000000000E+00 1.0000000000E+00 3 4.8085250643E+03 1.0000000000E+00 1.0000000000E+00 4 2.1868531868E+03 1.0000000000E+00 1.0000000000E+00 5 1.0285392386E+03 1.0000000000E+00 1.0000000000E+00 6 4.9846916778E+02 1.0000000000E+00 1.0000000000E+00 7 2.4895468352E+02 1.0000000000E+00 1.0000000000E+00 8 1.2789684589E+02 1.0000000000E+00 1.0000000000E+00 9 6.6801020484E+01 1.0000000000E+00 1.0000000000E+00 10 3.5541684984E+01 1.0000000000E+00 1.0000000000E+00 11 1.9137325281E+01 1.0000000000E+00 1.0000000000E+00 12 1.0146750034E+01 1.0000000000E+00 1.0000000000E+00 13 5.2615808148E+00 1.0000000000E+00 1.0000000000E+00 14 2.6587626087E+00 1.0000000000E+00 1.0000000000E+00 15 1.2863135808E+00 1.0000000000E+00 1.0000000000E+00 16 5.9188645056E-01 1.0000000000E+00 1.0000000000E+00 17 2.4952562906E-01 1.0000000000E+00 1.0000000000E+00 18 9.2734535121E-02 1.0000000000E+00 1.0000000000E+00 D+ 1 2.5871746556E+04 1.0000000000E+00 1.0000000000E+00 2 1.0949863080E+04 1.0000000000E+00 1.0000000000E+00 3 4.8085250643E+03 1.0000000000E+00 1.0000000000E+00 4 2.1868531868E+03 1.0000000000E+00 1.0000000000E+00 5 1.0285392386E+03 1.0000000000E+00 1.0000000000E+00 6 4.9846916778E+02 1.0000000000E+00 1.0000000000E+00 7 2.4895468352E+02 1.0000000000E+00 1.0000000000E+00 8 1.2789684589E+02 1.0000000000E+00 1.0000000000E+00 9 6.6801020484E+01 1.0000000000E+00 1.0000000000E+00 10 3.5541684984E+01 1.0000000000E+00 1.0000000000E+00 11 1.9137325281E+01 1.0000000000E+00 1.0000000000E+00 12 1.0146750034E+01 1.0000000000E+00 1.0000000000E+00 13 5.2615808148E+00 1.0000000000E+00 1.0000000000E+00 14 2.6587626087E+00 1.0000000000E+00 1.0000000000E+00 15 1.2863135808E+00 1.0000000000E+00 1.0000000000E+00 16 5.9188645056E-01 1.0000000000E+00 1.0000000000E+00 17 2.4952562906E-01 1.0000000000E+00 1.0000000000E+00 18 9.2734535121E-02 1.0000000000E+00 1.0000000000E+00 F- 1 2.1868531868E+03 1.0000000000E+00 1.0000000000E+00 2 1.0285392386E+03 1.0000000000E+00 1.0000000000E+00 3 4.9846916778E+02 1.0000000000E+00 1.0000000000E+00 4 2.4895468352E+02 1.0000000000E+00 1.0000000000E+00 5 1.2789684589E+02 1.0000000000E+00 1.0000000000E+00 6 6.6801020484E+01 1.0000000000E+00 1.0000000000E+00 7 3.5541684984E+01 1.0000000000E+00 1.0000000000E+00 8 1.9137325281E+01 1.0000000000E+00 1.0000000000E+00 9 1.0146750034E+01 1.0000000000E+00 1.0000000000E+00 10 5.2615808148E+00 1.0000000000E+00 1.0000000000E+00 11 2.6587626087E+00 1.0000000000E+00 1.0000000000E+00 12 1.2863135808E+00 1.0000000000E+00 1.0000000000E+00 13 5.9188645056E-01 1.0000000000E+00 1.0000000000E+00 14 2.4952562906E-01 1.0000000000E+00 1.0000000000E+00 F+ 1 2.1868531868E+03 1.0000000000E+00 1.0000000000E+00 2 1.0285392386E+03 1.0000000000E+00 1.0000000000E+00 3 4.9846916778E+02 1.0000000000E+00 1.0000000000E+00 4 2.4895468352E+02 1.0000000000E+00 1.0000000000E+00 5 1.2789684589E+02 1.0000000000E+00 1.0000000000E+00 6 6.6801020484E+01 1.0000000000E+00 1.0000000000E+00 7 3.5541684984E+01 1.0000000000E+00 1.0000000000E+00 8 1.9137325281E+01 1.0000000000E+00 1.0000000000E+00 9 1.0146750034E+01 1.0000000000E+00 1.0000000000E+00 10 5.2615808148E+00 1.0000000000E+00 1.0000000000E+00 11 2.6587626087E+00 1.0000000000E+00 1.0000000000E+00 12 1.2863135808E+00 1.0000000000E+00 1.0000000000E+00 13 5.9188645056E-01 1.0000000000E+00 1.0000000000E+00 14 2.4952562906E-01 1.0000000000E+00 1.0000000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -2.5712859E+03 -4.4880665E+02 -1.0563300E+02 -2.2988794E+01 -3.4585759E+00 -2.6649118E-01 ------------ ------------ ------------ ------------ ------------ ------------ *** Large-Component *** 1 1.9453128E-04 -7.3859964E-05 3.5067051E-05 -1.7233345E-05 7.0309484E-06 -1.9841136E-06 2 4.3469473E-04 -1.6573034E-04 7.8733926E-05 -3.8694992E-05 1.5785704E-05 -4.4541076E-06 3 1.0050972E-03 -3.8496925E-04 1.8303307E-04 -8.9984305E-05 3.6717231E-05 -1.0362321E-05 4 2.1398584E-03 -8.2594563E-04 3.9314143E-04 -1.9329364E-04 7.8857887E-05 -2.2249325E-05 5 4.6227278E-03 -1.8017076E-03 8.5900075E-04 -4.2261850E-04 1.7248663E-04 -4.8685167E-05 6 9.9571715E-03 -3.9308967E-03 1.8776218E-03 -9.2383301E-04 3.7692229E-04 -1.0633477E-04 7 2.1578352E-02 -8.6566404E-03 4.1463103E-03 -2.0424484E-03 8.3394576E-04 -2.3543848E-04 8 4.6400848E-02 -1.9028699E-02 9.1442549E-03 -4.5048450E-03 1.8381824E-03 -5.1847158E-04 9 9.6255803E-02 -4.0888877E-02 1.9773448E-02 -9.7650218E-03 3.9903800E-03 -1.1270238E-03 10 1.8199281E-01 -8.2380641E-02 4.0258740E-02 -1.9906294E-02 8.1267787E-03 -2.2913943E-03 11 2.8346168E-01 -1.4452548E-01 7.2230079E-02 -3.5979513E-02 1.4740984E-02 -4.1681630E-03 12 3.0271224E-01 -1.8491351E-01 9.5606506E-02 -4.7845953E-02 1.9556309E-02 -5.5040036E-03 13 1.6154256E-01 -7.2154429E-02 3.4787965E-02 -1.7487423E-02 7.2944476E-03 -2.1076224E-03 14 2.3913170E-02 2.9534281E-01 -2.2799226E-01 1.2694554E-01 -5.3622392E-02 1.5318312E-02 15 1.5854999E-03 5.4965050E-01 -5.5395806E-01 3.2585183E-01 -1.3780007E-01 3.8832823E-02 16 -9.3817664E-04 2.8551859E-01 -3.0123854E-01 1.9953040E-01 -8.9993159E-02 2.6371516E-02 17 7.3026833E-04 2.9615411E-02 6.1536640E-01 -5.9629242E-01 2.9136653E-01 -8.5728242E-02 18 -5.8135588E-04 2.5970239E-03 6.7820945E-01 -9.0856972E-01 4.5827368E-01 -1.3101189E-01 19 3.7757015E-04 -1.2959829E-03 1.2827389E-01 2.8287353E-01 -1.8928700E-01 5.2323454E-02 20 -2.1834052E-04 5.5921355E-04 7.8187804E-03 9.5394400E-01 -8.3438724E-01 2.7455729E-01 21 1.2029101E-04 -3.5356305E-04 -1.1092586E-03 2.9847421E-01 -3.6762963E-01 1.1609305E-01 22 -6.0040284E-05 1.7921896E-04 7.8037368E-04 2.6668277E-03 7.9699560E-01 -3.2060700E-01 23 2.7197196E-05 -7.6507092E-05 -4.6151156E-04 3.7848317E-03 6.4271352E-01 -4.6307845E-01 24 -1.1357993E-05 3.2882657E-05 1.8175250E-04 -1.1509346E-03 5.1279104E-02 7.8011332E-02 25 4.7918160E-06 -1.3816783E-05 -7.9517729E-05 5.0144617E-04 2.0938172E-03 7.2834327E-01 26 -1.9087529E-06 5.5069960E-06 3.1863701E-05 -1.9823547E-04 -8.9275549E-04 4.0423623E-01 27 3.9738177E-07 -1.1467946E-06 -6.6569985E-06 4.1265378E-05 2.1405938E-04 6.7694708E-03 *** Small-Component *** 28 2.5441745E-04 -9.6327672E-05 4.5716384E-05 -2.2467947E-05 9.1679498E-06 -2.5876730E-06 29 8.1402855E-04 -3.0823938E-04 1.4626804E-04 -7.1856072E-05 2.9307105E-05 -8.2676311E-06 30 1.7076263E-03 -6.4706750E-04 3.0714342E-04 -1.5096704E-04 6.1607539E-05 -1.7390699E-05 31 3.4929110E-03 -1.3246808E-03 6.2873716E-04 -3.0886631E-04 1.2596284E-04 -3.5530512E-05 32 6.6307724E-03 -2.5195278E-03 1.1965306E-03 -5.8823046E-04 2.4007619E-04 -6.7776384E-05 33 1.2191125E-02 -4.6480537E-03 2.2080246E-03 -1.0848216E-03 4.4239130E-04 -1.2477193E-04 34 2.1317311E-02 -8.1868585E-03 3.8952453E-03 -1.9160152E-03 7.8216706E-04 -2.2085044E-04 35 3.5503456E-02 -1.3835670E-02 6.5971660E-03 -3.2437203E-03 1.3228489E-03 -3.7303581E-04 36 5.4888322E-02 -2.2057876E-02 1.0579704E-02 -5.2151269E-03 2.1303974E-03 -6.0173490E-04 37 7.5375825E-02 -3.2226908E-02 1.5619999E-02 -7.7081136E-03 3.1452070E-03 -8.8666681E-04 38 8.3888267E-02 -4.0455630E-02 2.0068497E-02 -9.9798325E-03 4.0874157E-03 -1.1557684E-03 39 6.3607276E-02 -3.6958652E-02 1.9008536E-02 -9.5015393E-03 3.8825100E-03 -1.0926429E-03 40 2.4066097E-02 -1.0684335E-02 5.2570454E-03 -2.6542955E-03 1.1068549E-03 -3.1928991E-04 41 2.5437261E-03 2.9089872E-02 -2.2219364E-02 1.2345507E-02 -5.2129934E-03 1.4893307E-03 42 1.1733294E-04 3.9453213E-02 -3.9431993E-02 2.3160598E-02 -9.7911030E-03 2.7590051E-03 43 -4.9707886E-05 1.4879023E-02 -1.5665654E-02 1.0380611E-02 -4.6810763E-03 1.3714226E-03 44 2.7983047E-05 1.1293822E-03 2.3149500E-02 -2.2382356E-02 1.0932078E-02 -3.2164741E-03 45 -1.6128190E-05 7.1197996E-05 1.8788292E-02 -2.5128024E-02 1.2672526E-02 -3.6228419E-03 46 7.4764331E-06 -2.5579053E-05 2.5870635E-03 5.6836515E-03 -3.8006082E-03 1.0502479E-03 47 -3.0111965E-06 7.7539072E-06 1.1442454E-04 1.3832273E-02 -1.2093498E-02 3.9791696E-03 48 1.1231279E-06 -3.4391475E-06 -1.1913867E-05 3.0775767E-03 -3.7895417E-03 1.1967817E-03 49 -3.5976913E-07 1.1778436E-06 5.8266151E-06 1.9004596E-05 5.7125065E-03 -2.2977989E-03 50 9.5516617E-08 -3.2105257E-07 -2.3480820E-06 1.8462161E-05 3.1250674E-03 -2.2514893E-03 51 -1.9109890E-08 8.1890960E-08 6.1630492E-07 -3.6563333E-06 1.6189947E-04 2.4625148E-04 52 1.6337382E-09 -1.7030759E-08 -1.7089951E-07 9.7441144E-07 4.0267833E-06 1.4016953E-03 53 9.0072460E-10 2.7331261E-09 4.6135970E-08 -2.4549563E-07 -1.0875234E-06 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