Co [Ar]4s(2)3d(7) 21s16/14p11/11d Nucleus Model : Gaussian Charge Distribution Nuclear Charge = 27.0 Atomic Mass = 59.0 Parameter Alpha = 2.871667E+08 Speed of Light = 137.0359895 S+ P- P+ D- D+ Number of Closed Shells 4 2 2 0 0 Open Shells 0 0 0 1 1 Conf Weight Open Shell Occupation Numbers 1 0.16666667 0.0 0.0 0.0 4.0 3.0 2 0.50000000 0.0 0.0 0.0 3.0 4.0 3 0.30000000 0.0 0.0 0.0 2.0 5.0 4 0.03333333 0.0 0.0 0.0 1.0 6.0 ENERGIES Total Energy = -1.392001225839701E+03 Mass Energy = -1.391991335887743E+03 Kinetic Energy = 2.805787816683343E+03 Potential Energy = -2.805797706635301E+03 SINGLE-FAMILY EXPONENT BASIS SET Exponent S+ P- P+ D- D+ 1.4566618331E+07 o 1.8252219411E+06 o 3.5471231294E+05 o o 8.7917176588E+04 o o 2.5707633138E+04 o o o 8.4782501041E+03 o o o 3.0679452238E+03 o o o 1.1945861949E+03 o o o 4.9342983594E+02 o o o o o 2.1391898779E+02 o o o o o 9.6566544566E+01 o o o o o 4.4560833017E+01 o o o o o 2.0995996341E+01 o o o o o 1.0120383794E+01 o o o o o 4.8123272535E+00 o o o o o 2.2453126623E+00 o o o o o 1.0132454016E+00 o o o o o 4.2594577385E-01 o o o o o 1.6163495658E-01 o o o 6.6892627116E-02 o 2.9438852055E-02 o NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 1.4566618331E+07 1.0000000000E+00 1.0000000000E+00 2 1.8252219411E+06 1.0000000000E+00 1.0000000000E+00 3 3.5471231294E+05 1.0000000000E+00 1.0000000000E+00 4 8.7917176588E+04 1.0000000000E+00 1.0000000000E+00 5 2.5707633138E+04 1.0000000000E+00 1.0000000000E+00 6 8.4782501041E+03 1.0000000000E+00 1.0000000000E+00 7 3.0679452238E+03 1.0000000000E+00 1.0000000000E+00 8 1.1945861949E+03 1.0000000000E+00 1.0000000000E+00 9 4.9342983594E+02 1.0000000000E+00 1.0000000000E+00 10 2.1391898779E+02 1.0000000000E+00 1.0000000000E+00 11 9.6566544566E+01 1.0000000000E+00 1.0000000000E+00 12 4.4560833017E+01 1.0000000000E+00 1.0000000000E+00 13 2.0995996341E+01 1.0000000000E+00 1.0000000000E+00 14 1.0120383794E+01 1.0000000000E+00 1.0000000000E+00 15 4.8123272535E+00 1.0000000000E+00 1.0000000000E+00 16 2.2453126623E+00 1.0000000000E+00 1.0000000000E+00 17 1.0132454016E+00 1.0000000000E+00 1.0000000000E+00 18 4.2594577385E-01 1.0000000000E+00 1.0000000000E+00 19 1.6163495658E-01 1.0000000000E+00 1.0000000000E+00 20 6.6892627116E-02 1.0000000000E+00 1.0000000000E+00 21 2.9438852055E-02 1.0000000000E+00 1.0000000000E+00 P- 1 3.5471231294E+05 1.0000000000E+00 1.0000000000E+00 2 8.7917176588E+04 1.0000000000E+00 1.0000000000E+00 3 2.5707633138E+04 1.0000000000E+00 1.0000000000E+00 4 8.4782501041E+03 1.0000000000E+00 1.0000000000E+00 5 3.0679452238E+03 1.0000000000E+00 1.0000000000E+00 6 1.1945861949E+03 1.0000000000E+00 1.0000000000E+00 7 4.9342983594E+02 1.0000000000E+00 1.0000000000E+00 8 2.1391898779E+02 1.0000000000E+00 1.0000000000E+00 9 9.6566544566E+01 1.0000000000E+00 1.0000000000E+00 10 4.4560833017E+01 1.0000000000E+00 1.0000000000E+00 11 2.0995996341E+01 1.0000000000E+00 1.0000000000E+00 12 1.0120383794E+01 1.0000000000E+00 1.0000000000E+00 13 4.8123272535E+00 1.0000000000E+00 1.0000000000E+00 14 2.2453126623E+00 1.0000000000E+00 1.0000000000E+00 15 1.0132454016E+00 1.0000000000E+00 1.0000000000E+00 16 4.2594577385E-01 1.0000000000E+00 1.0000000000E+00 P+ 1 2.5707633138E+04 1.0000000000E+00 1.0000000000E+00 2 8.4782501041E+03 1.0000000000E+00 1.0000000000E+00 3 3.0679452238E+03 1.0000000000E+00 1.0000000000E+00 4 1.1945861949E+03 1.0000000000E+00 1.0000000000E+00 5 4.9342983594E+02 1.0000000000E+00 1.0000000000E+00 6 2.1391898779E+02 1.0000000000E+00 1.0000000000E+00 7 9.6566544566E+01 1.0000000000E+00 1.0000000000E+00 8 4.4560833017E+01 1.0000000000E+00 1.0000000000E+00 9 2.0995996341E+01 1.0000000000E+00 1.0000000000E+00 10 1.0120383794E+01 1.0000000000E+00 1.0000000000E+00 11 4.8123272535E+00 1.0000000000E+00 1.0000000000E+00 12 2.2453126623E+00 1.0000000000E+00 1.0000000000E+00 13 1.0132454016E+00 1.0000000000E+00 1.0000000000E+00 14 4.2594577385E-01 1.0000000000E+00 1.0000000000E+00 D- 1 4.9342983594E+02 1.0000000000E+00 1.0000000000E+00 2 2.1391898779E+02 1.0000000000E+00 1.0000000000E+00 3 9.6566544566E+01 1.0000000000E+00 1.0000000000E+00 4 4.4560833017E+01 1.0000000000E+00 1.0000000000E+00 5 2.0995996341E+01 1.0000000000E+00 1.0000000000E+00 6 1.0120383794E+01 1.0000000000E+00 1.0000000000E+00 7 4.8123272535E+00 1.0000000000E+00 1.0000000000E+00 8 2.2453126623E+00 1.0000000000E+00 1.0000000000E+00 9 1.0132454016E+00 1.0000000000E+00 1.0000000000E+00 10 4.2594577385E-01 1.0000000000E+00 1.0000000000E+00 11 1.6163495658E-01 1.0000000000E+00 1.0000000000E+00 D+ 1 4.9342983594E+02 1.0000000000E+00 1.0000000000E+00 2 2.1391898779E+02 1.0000000000E+00 1.0000000000E+00 3 9.6566544566E+01 1.0000000000E+00 1.0000000000E+00 4 4.4560833017E+01 1.0000000000E+00 1.0000000000E+00 5 2.0995996341E+01 1.0000000000E+00 1.0000000000E+00 6 1.0120383794E+01 1.0000000000E+00 1.0000000000E+00 7 4.8123272535E+00 1.0000000000E+00 1.0000000000E+00 8 2.2453126623E+00 1.0000000000E+00 1.0000000000E+00 9 1.0132454016E+00 1.0000000000E+00 1.0000000000E+00 10 4.2594577385E-01 1.0000000000E+00 1.0000000000E+00 11 1.6163495658E-01 1.0000000000E+00 1.0000000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ -2.8593188E+02 -3.5494997E+01 -4.6336616E+00 -2.7266097E-01 ------------ ------------ ------------ ------------ *** Large-Component *** 1 1.4206078E-05 -4.4089162E-06 -1.6482264E-06 3.5136550E-07 2 6.5719079E-05 -2.0441751E-05 -7.6436978E-06 1.6289986E-06 3 2.6959298E-04 -8.4055739E-05 -3.1441382E-05 6.7048071E-06 4 1.0312545E-03 -3.2230095E-04 -1.2058069E-04 2.5691192E-05 5 3.6736061E-03 -1.1519553E-03 -4.3120391E-04 9.1995669E-05 6 1.2071732E-02 -3.8115799E-03 -1.4276920E-03 3.0410928E-04 7 3.6119929E-02 -1.1596568E-02 -4.3533968E-03 9.2955106E-04 8 9.5860102E-02 -3.2014760E-02 -1.2072662E-02 2.5723233E-03 9 2.1249269E-01 -7.7556288E-02 -2.9576671E-02 6.3331454E-03 10 3.4691716E-01 -1.5317933E-01 -5.9829533E-02 1.2786801E-02 11 3.2338165E-01 -2.0147148E-01 -8.2589066E-02 1.7918992E-02 12 1.1085354E-01 -4.3896856E-02 -1.8969049E-02 3.8610310E-03 13 4.7475092E-03 4.0501712E-01 2.2124322E-01 -4.8940768E-02 14 1.7139680E-03 5.7337788E-01 4.7494533E-01 -1.1405889E-01 15 -7.9794782E-04 1.7652141E-01 1.0050868E-01 -1.8034529E-02 16 3.7284287E-04 5.5249500E-03 -6.2265410E-01 1.7438206E-01 17 -2.2542978E-04 2.8243156E-03 -5.7234698E-01 2.6967536E-01 18 9.9325349E-05 -5.8525389E-04 -8.0582884E-02 8.8292116E-02 19 -4.9509884E-05 3.3387756E-04 2.8078192E-03 -4.1311008E-01 20 2.5447186E-05 -1.6772534E-04 -1.1238865E-03 -5.9462139E-01 21 -7.8436999E-06 5.1504043E-05 2.8844390E-04 -1.7421598E-01 *** Small-Component *** 22 5.6379391E-05 -1.7466457E-05 -6.5283985E-06 1.3919375E-06 23 2.1022947E-04 -6.5134504E-05 -2.4343558E-05 5.1866795E-06 24 5.8943942E-04 -1.8267585E-04 -6.8283096E-05 1.4562473E-05 25 1.4375390E-03 -4.4587742E-04 -1.6666081E-04 3.5500084E-05 26 3.1713293E-03 -9.8605204E-04 -3.6873652E-04 7.8666521E-05 27 6.4518571E-03 -2.0192669E-03 -7.5555695E-04 1.6090620E-04 28 1.2111833E-02 -3.8548991E-03 -1.4456775E-03 3.0866108E-04 29 2.0540145E-02 -6.8033526E-03 -2.5630434E-03 5.4602244E-04 30 2.9652610E-02 -1.0740124E-02 -4.0923029E-03 8.7619336E-04 31 3.2107625E-02 -1.4077719E-02 -5.4943769E-03 1.1741330E-03 32 2.0184193E-02 -1.2498840E-02 -5.1210462E-03 1.1110251E-03 33 4.7072890E-03 -1.8697133E-03 -8.0947626E-04 1.6493582E-04 34 1.3842858E-04 1.1721099E-02 6.3965816E-03 -1.4147816E-03 35 3.4588771E-05 1.1534083E-02 9.5468628E-03 -2.2925515E-03 36 -1.1092806E-05 2.4492980E-03 1.3949998E-03 -2.5050087E-04 37 3.5293846E-06 5.2352017E-05 -5.8963527E-03 1.6511916E-03 38 -1.4291771E-06 1.7975808E-05 -3.6412270E-03 1.7154964E-03 39 4.0561845E-07 -2.4142527E-06 -3.3241325E-04 3.6418034E-04 40 -1.2318825E-07 8.4793540E-07 7.1407142E-06 -1.0496112E-03 41 4.0012894E-08 -2.7377435E-07 -1.8402675E-06 -9.7191108E-04 42 -7.9270838E-09 5.5684135E-08 3.1383227E-07 -1.8890670E-04 2P- 3P- -3.0627732E+01 -3.0853840E+00 ------------ ------------ *** Large-Component *** 1 1.9451044E-05 -7.1326898E-06 2 3.3808499E-05 -1.2387316E-05 3 1.0548405E-04 -3.8743597E-05 4 2.8972767E-04 -1.0614041E-04 5 9.9386414E-04 -3.6636146E-04 6 3.5820529E-03 -1.3181101E-03 7 1.3007626E-02 -4.8422604E-03 8 4.2568597E-02 -1.6010981E-02 9 1.2034655E-01 -4.6819489E-02 10 2.6356695E-01 -1.0646167E-01 11 3.8336941E-01 -1.6565288E-01 12 2.8871463E-01 -9.7331694E-02 13 7.4367763E-02 2.1334475E-01 14 3.3698374E-03 4.8727265E-01 15 1.0395512E-03 3.7981357E-01 16 -8.1780109E-06 8.5543602E-02 *** Small-Component *** 17 3.2319784E-06 -1.1916089E-06 18 9.9671330E-06 -3.6361631E-06 19 3.3616795E-05 -1.2405035E-05 20 1.0421121E-04 -3.8117781E-05 21 3.1189343E-04 -1.1513063E-04 22 8.5934318E-04 -3.1614232E-04 23 2.1943508E-03 -8.1703373E-04 24 4.9215986E-03 -1.8510984E-03 25 9.5112526E-03 -3.7006557E-03 26 1.4258101E-02 -5.7606809E-03 27 1.4281239E-02 -6.1735215E-03 28 7.4661071E-03 -2.5200460E-03 29 1.3154375E-03 3.8196296E-03 30 2.8533378E-05 5.9582599E-03 31 5.1495349E-06 3.1197148E-03 32 -6.5409758E-06 4.5611739E-04 2P+ 3P+ -3.0074394E+01 -3.0125221E+00 ------------ ------------ *** Large-Component *** 1 2.5436826E-05 -9.3731754E-06 2 1.1576382E-04 -4.2315849E-05 3 6.3168672E-04 -2.3313877E-04 4 2.8388756E-03 -1.0438905E-03 5 1.1528515E-02 -4.2904142E-03 6 3.9796807E-02 -1.4957920E-02 7 1.1587642E-01 -4.5038260E-02 8 2.5891315E-01 -1.0447176E-01 9 3.8348119E-01 -1.6568339E-01 10 2.9534807E-01 -1.0320248E-01 11 7.8662132E-02 2.0354547E-01 12 3.7165465E-03 4.8418287E-01 13 1.1033218E-03 3.8785473E-01 14 -1.3319133E-05 9.1512917E-02 *** Small-Component *** 15 2.7471952E-05 -1.0119876E-05 16 7.9283268E-05 -2.8940618E-05 17 2.6953260E-04 -9.9393572E-05 18 7.7605986E-04 -2.8506259E-04 19 2.0541183E-03 -7.6377047E-04 20 4.7085528E-03 -1.7681814E-03 21 9.2548739E-03 -3.5943668E-03 22 1.4081975E-02 -5.6783544E-03 23 1.4334266E-02 -6.1897148E-03 24 7.6696923E-03 -2.6795872E-03 25 1.4088227E-03 3.6418725E-03 26 4.5483854E-05 5.9192080E-03 27 9.0548103E-06 3.1854291E-03 28 -6.8124949E-08 4.8731399E-04 3D- -6.4205728E-01 ------------ *** Large-Component *** 1 1.8095360E-04 2 6.9289098E-04 3 3.5221637E-03 4 1.4442516E-02 5 4.4983543E-02 6 1.1782725E-01 7 2.3545683E-01 8 3.1998570E-01 9 3.2535770E-01 10 2.2900773E-01 11 7.4376503E-02 *** Small-Component *** 12 3.4339867E-05 13 9.5302265E-05 14 3.2707004E-04 15 9.2395308E-04 16 1.9821163E-03 17 3.6126676E-03 18 4.9820880E-03 19 4.6269380E-03 20 3.1607975E-03 21 1.4425929E-03 22 2.8854618E-04 3D+ -6.3417313E-01 ------------ *** Large-Component *** 1 1.5603313E-04 2 6.6201260E-04 3 3.3917918E-03 4 1.4163013E-02 5 4.4395720E-02 6 1.1674887E-01 7 2.3391241E-01 8 3.1899646E-01 9 3.2601956E-01 10 2.3134803E-01 11 7.6464751E-02 *** Small-Component *** 12 3.2711058E-05 13 9.2610271E-05 14 3.1983934E-04 15 9.1023236E-04 16 1.9610880E-03 17 3.5834303E-03 18 4.9525677E-03 19 4.6140542E-03 20 3.1679527E-03 21 1.4575730E-03 22 2.9676811E-04 RADIAL MOMENTS Sym Orb S+ 1 1.49990E+03 2.70382E+01 5.61564E-02 4.24185E-03 4.03568E-04 4.64271E-05 2 1.46126E+02 5.87163E+00 2.53871E-01 7.61173E-02 2.60815E-02 1.01165E-02 3 2.11908E+01 1.82549E+00 7.73073E-01 6.89126E-01 6.89250E-01 7.68707E-01 4 1.07830E+00 4.12601E-01 3.10436E+00 1.12680E+01 4.70878E+01 2.24400E+02 P- 1 4.70241E+01 5.78964E+00 2.22395E-01 6.07856E-02 1.97993E-02 7.52008E-03 2 6.44757E+00 1.68883E+00 8.12995E-01 7.78902E-01 8.54883E-01 1.06751E+00 P+ 1 4.42365E+01 5.68050E+00 2.25447E-01 6.23351E-02 2.05193E-02 7.87222E-03 2 6.08004E+00 1.66474E+00 8.22111E-01 7.96411E-01 8.83959E-01 1.11639E+00 D- 1 2.33355E+00 1.30482E+00 1.02434E+00 1.37039E+00 2.33449E+00 4.92445E+00 D+ 1 2.30682E+00 1.29757E+00 1.03043E+00 1.38739E+00 2.37922E+00 5.05196E+00