Co [Ar]4s(2)3d(7) 21s16/14p11/11d Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 27.0 Atomic Mass = 59.0 Nuclear Radius = 9.330459E-05 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 = -1.392001224061205E+03 Mass Energy = -1.391991322032121E+03 Kinetic Energy = 2.805787783463571E+03 Potential Energy = -2.805797685492656E+03 VIRIAL -[+(CORR )]/ = 1.00000000754625 SINGLE-FAMILY EXPONENT BASIS SET Exponent S+ P- P+ D- D+ 1.4476977873E+07 o 1.8164869418E+06 o 3.5328721461E+05 o o 8.7611090848E+04 o o 2.5629609830E+04 o o o 8.4548587162E+03 o o o 3.0602863227E+03 o o o 1.1919433787E+03 o o o 4.9244838955E+02 o o o o o 2.1353340891E+02 o o o o o 9.6410294950E+01 o o o o o 4.4496507592E+01 o o o o o 2.0969497702E+01 o o o o o 1.0109292264E+01 o o o o o 4.8074867095E+00 o o o o o 2.2432620912E+00 o o o o o 1.0124608517E+00 o o o o o 4.2566799541E-01 o o o o o 1.6155086069E-01 o o o 6.6870009847E-02 o 2.9435507279E-02 o NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 1.4476977873E+07 1.0000000000E+00 1.0000000000E+00 2 1.8164869418E+06 1.0000000000E+00 1.0000000000E+00 3 3.5328721461E+05 1.0000000000E+00 1.0000000000E+00 4 8.7611090848E+04 1.0000000000E+00 1.0000000000E+00 5 2.5629609830E+04 1.0000000000E+00 1.0000000000E+00 6 8.4548587162E+03 1.0000000000E+00 1.0000000000E+00 7 3.0602863227E+03 1.0000000000E+00 1.0000000000E+00 8 1.1919433787E+03 1.0000000000E+00 1.0000000000E+00 9 4.9244838955E+02 1.0000000000E+00 1.0000000000E+00 10 2.1353340891E+02 1.0000000000E+00 1.0000000000E+00 11 9.6410294950E+01 1.0000000000E+00 1.0000000000E+00 12 4.4496507592E+01 1.0000000000E+00 1.0000000000E+00 13 2.0969497702E+01 1.0000000000E+00 1.0000000000E+00 14 1.0109292264E+01 1.0000000000E+00 1.0000000000E+00 15 4.8074867095E+00 1.0000000000E+00 1.0000000000E+00 16 2.2432620912E+00 1.0000000000E+00 1.0000000000E+00 17 1.0124608517E+00 1.0000000000E+00 1.0000000000E+00 18 4.2566799541E-01 1.0000000000E+00 1.0000000000E+00 19 1.6155086069E-01 1.0000000000E+00 1.0000000000E+00 20 6.6870009847E-02 1.0000000000E+00 1.0000000000E+00 21 2.9435507279E-02 1.0000000000E+00 1.0000000000E+00 P- 1 3.5328721461E+05 1.0000000000E+00 1.0000000000E+00 2 8.7611090848E+04 1.0000000000E+00 1.0000000000E+00 3 2.5629609830E+04 1.0000000000E+00 1.0000000000E+00 4 8.4548587162E+03 1.0000000000E+00 1.0000000000E+00 5 3.0602863227E+03 1.0000000000E+00 1.0000000000E+00 6 1.1919433787E+03 1.0000000000E+00 1.0000000000E+00 7 4.9244838955E+02 1.0000000000E+00 1.0000000000E+00 8 2.1353340891E+02 1.0000000000E+00 1.0000000000E+00 9 9.6410294950E+01 1.0000000000E+00 1.0000000000E+00 10 4.4496507592E+01 1.0000000000E+00 1.0000000000E+00 11 2.0969497702E+01 1.0000000000E+00 1.0000000000E+00 12 1.0109292264E+01 1.0000000000E+00 1.0000000000E+00 13 4.8074867095E+00 1.0000000000E+00 1.0000000000E+00 14 2.2432620912E+00 1.0000000000E+00 1.0000000000E+00 15 1.0124608517E+00 1.0000000000E+00 1.0000000000E+00 16 4.2566799541E-01 1.0000000000E+00 1.0000000000E+00 P+ 1 2.5629609830E+04 1.0000000000E+00 1.0000000000E+00 2 8.4548587162E+03 1.0000000000E+00 1.0000000000E+00 3 3.0602863227E+03 1.0000000000E+00 1.0000000000E+00 4 1.1919433787E+03 1.0000000000E+00 1.0000000000E+00 5 4.9244838955E+02 1.0000000000E+00 1.0000000000E+00 6 2.1353340891E+02 1.0000000000E+00 1.0000000000E+00 7 9.6410294950E+01 1.0000000000E+00 1.0000000000E+00 8 4.4496507592E+01 1.0000000000E+00 1.0000000000E+00 9 2.0969497702E+01 1.0000000000E+00 1.0000000000E+00 10 1.0109292264E+01 1.0000000000E+00 1.0000000000E+00 11 4.8074867095E+00 1.0000000000E+00 1.0000000000E+00 12 2.2432620912E+00 1.0000000000E+00 1.0000000000E+00 13 1.0124608517E+00 1.0000000000E+00 1.0000000000E+00 14 4.2566799541E-01 1.0000000000E+00 1.0000000000E+00 D- 1 4.9244838955E+02 1.0000000000E+00 1.0000000000E+00 2 2.1353340891E+02 1.0000000000E+00 1.0000000000E+00 3 9.6410294950E+01 1.0000000000E+00 1.0000000000E+00 4 4.4496507592E+01 1.0000000000E+00 1.0000000000E+00 5 2.0969497702E+01 1.0000000000E+00 1.0000000000E+00 6 1.0109292264E+01 1.0000000000E+00 1.0000000000E+00 7 4.8074867095E+00 1.0000000000E+00 1.0000000000E+00 8 2.2432620912E+00 1.0000000000E+00 1.0000000000E+00 9 1.0124608517E+00 1.0000000000E+00 1.0000000000E+00 10 4.2566799541E-01 1.0000000000E+00 1.0000000000E+00 11 1.6155086069E-01 1.0000000000E+00 1.0000000000E+00 D+ 1 4.9244838955E+02 1.0000000000E+00 1.0000000000E+00 2 2.1353340891E+02 1.0000000000E+00 1.0000000000E+00 3 9.6410294950E+01 1.0000000000E+00 1.0000000000E+00 4 4.4496507592E+01 1.0000000000E+00 1.0000000000E+00 5 2.0969497702E+01 1.0000000000E+00 1.0000000000E+00 6 1.0109292264E+01 1.0000000000E+00 1.0000000000E+00 7 4.8074867095E+00 1.0000000000E+00 1.0000000000E+00 8 2.2432620912E+00 1.0000000000E+00 1.0000000000E+00 9 1.0124608517E+00 1.0000000000E+00 1.0000000000E+00 10 4.2566799541E-01 1.0000000000E+00 1.0000000000E+00 11 1.6155086069E-01 1.0000000000E+00 1.0000000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ -2.8593188E+02 -3.5494998E+01 -4.6336621E+00 -2.7266120E-01 ------------ ------------ ------------ ------------ *** Large-Component *** 1 1.4276966E-05 -4.4309334E-06 -1.6564575E-06 3.5312044E-07 2 6.5969119E-05 -2.0519665E-05 -7.6728433E-06 1.6352113E-06 3 2.7060473E-04 -8.4371700E-05 -3.1559554E-05 6.7300101E-06 4 1.0348002E-03 -3.2341144E-04 -1.2099646E-04 2.5779811E-05 5 3.6853243E-03 -1.1556430E-03 -4.3258387E-04 9.2290074E-05 6 1.2107837E-02 -3.8230842E-03 -1.4320103E-03 3.0502980E-04 7 3.6212563E-02 -1.1627050E-02 -4.3648565E-03 9.3199829E-04 8 9.6057494E-02 -3.2085233E-02 -1.2099505E-02 2.5780538E-03 9 2.1280344E-01 -7.7692738E-02 -2.9629603E-02 6.3445038E-03 10 3.4708107E-01 -1.5334218E-01 -5.9898370E-02 1.2801661E-02 11 3.2300681E-01 -2.0140057E-01 -8.2568702E-02 1.7914963E-02 12 1.1045184E-01 -4.3270482E-02 -1.8696809E-02 3.8017121E-03 13 4.7124333E-03 4.0573140E-01 2.2175690E-01 -4.9059721E-02 14 1.7047834E-03 5.7293389E-01 4.7490263E-01 -1.1405792E-01 15 -7.9241857E-04 1.7600218E-01 9.9505793E-02 -1.7775603E-02 16 3.6946502E-04 5.5010702E-03 -6.2307174E-01 1.7453186E-01 17 -2.2359038E-04 2.8144585E-03 -5.7174290E-01 2.6961298E-01 18 9.8456856E-05 -5.8161614E-04 -8.0352873E-02 8.8001898E-02 19 -4.9078728E-05 3.3189225E-04 2.7909603E-03 -4.1334321E-01 20 2.5227272E-05 -1.6670759E-04 -1.1154426E-03 -5.9440116E-01 21 -7.7758925E-06 5.1188210E-05 2.8591272E-04 -1.7411295E-01 *** Small-Component *** 22 5.6574212E-05 -1.7526813E-05 -6.5509515E-06 1.3967466E-06 23 2.1088119E-04 -6.5336457E-05 -2.4419071E-05 5.2027748E-06 24 5.9096130E-04 -1.8314769E-04 -6.8459357E-05 1.4600062E-05 25 1.4406735E-03 -4.4685142E-04 -1.6702532E-04 3.5577784E-05 26 3.1774321E-03 -9.8795925E-04 -3.6944916E-04 7.8818528E-05 27 6.4631565E-03 -2.0228583E-03 -7.5690577E-04 1.6119385E-04 28 1.2128693E-02 -3.8605141E-03 -1.4477886E-03 3.0911190E-04 29 2.0560539E-02 -6.8110827E-03 -2.5660133E-03 5.4665752E-04 30 2.9667091E-02 -1.0748571E-02 -4.0956456E-03 8.7691240E-04 31 3.2094205E-02 -1.4080165E-02 -5.4958133E-03 1.1744537E-03 32 2.0144582E-02 -1.2484428E-02 -5.1156845E-03 1.1098860E-03 33 4.6868511E-03 -1.8419799E-03 -7.9743632E-04 1.6232099E-04 34 1.3731925E-04 1.1734402E-02 6.4074147E-03 -1.4173317E-03 35 3.4383817E-05 1.1518845E-02 9.5407835E-03 -2.2912783E-03 36 -1.1009899E-05 2.4408645E-03 1.3804007E-03 -2.4678714E-04 37 3.4954872E-06 5.2102295E-05 -5.8976140E-03 1.6518555E-03 38 -1.4168036E-06 1.7905920E-05 -3.6359756E-03 1.7144355E-03 39 4.0186232E-07 -2.3983632E-06 -3.3135633E-04 3.6286495E-04 40 -1.2204613E-07 8.4262451E-07 7.0960117E-06 -1.0499303E-03 41 3.9640964E-08 -2.7204096E-07 -1.8261471E-06 -9.7138684E-04 42 -7.8514353E-09 5.5330623E-08 3.1106670E-07 -1.8878425E-04 2P- 3P- -3.0627733E+01 -3.0853845E+00 ------------ ------------ *** Large-Component *** 1 1.9509861E-05 -7.1542653E-06 2 3.3884197E-05 -1.2415016E-05 3 1.0576644E-04 -3.8847551E-05 4 2.9058423E-04 -1.0645386E-04 5 9.9698861E-04 -3.6751759E-04 6 3.5929511E-03 -1.3221272E-03 7 1.3044060E-02 -4.8559580E-03 8 4.2669796E-02 -1.6049718E-02 9 1.2055866E-01 -4.6905880E-02 10 2.6382239E-01 -1.0657379E-01 11 3.8336313E-01 -1.6567009E-01 12 2.8833342E-01 -9.7015589E-02 13 7.4151807E-02 2.1380937E-01 14 3.3546413E-03 4.8730264E-01 15 1.0375977E-03 3.7944696E-01 16 -8.0511247E-06 8.5374876E-02 *** Small-Component *** 17 3.2434331E-06 -1.1958447E-06 18 9.9984919E-06 -3.6475624E-06 19 3.3718297E-05 -1.2442622E-05 20 1.0451600E-04 -3.8229064E-05 21 3.1270270E-04 -1.1543070E-04 22 8.6128459E-04 -3.1685802E-04 23 2.1986036E-03 -8.1863991E-04 24 4.9291311E-03 -1.8540092E-03 25 9.5205234E-03 -3.7045697E-03 26 1.4261747E-02 -5.7626387E-03 27 1.4272031E-02 -6.1702870E-03 28 7.4521370E-03 -2.5104765E-03 29 1.3109170E-03 3.8260183E-03 30 2.8337238E-05 5.9559052E-03 31 5.1349270E-06 3.1154968E-03 32 -6.5375635E-06 4.5507039E-04 2P+ 3P+ -3.0074395E+01 -3.0125226E+00 ------------ ------------ *** Large-Component *** 1 2.5561968E-05 -9.4193397E-06 2 1.1627086E-04 -4.2500947E-05 3 6.3418494E-04 -2.3406350E-04 4 2.8485845E-03 -1.0474649E-03 5 1.1562817E-02 -4.3032983E-03 6 3.9894761E-02 -1.4995354E-02 7 1.1608624E-01 -4.5123517E-02 8 2.5917290E-01 -1.0458533E-01 9 3.8348753E-01 -1.6570721E-01 10 2.9496993E-01 -1.0289548E-01 11 7.8438099E-02 2.0401269E-01 12 3.6996115E-03 4.8422680E-01 13 1.1013372E-03 3.8749295E-01 14 -1.3200086E-05 9.1336096E-02 *** Small-Component *** 15 2.7572546E-05 -1.0156985E-05 16 7.9532401E-05 -2.9031388E-05 17 2.7028210E-04 -9.9671129E-05 18 7.7788803E-04 -2.8573531E-04 19 2.0582313E-03 -7.6532104E-04 20 4.7159524E-03 -1.7710333E-03 21 9.2641929E-03 -3.5982826E-03 22 1.4085970E-02 -5.6804421E-03 23 1.4325475E-02 -6.1867074E-03 24 7.6556789E-03 -2.6701590E-03 25 1.4041033E-03 3.6483998E-03 26 4.5256131E-05 5.9170419E-03 27 9.0349471E-06 3.1812256E-03 28 -6.7452497E-08 4.8621377E-04 3D- -6.4205770E-01 ------------ *** Large-Component *** 1 1.8168832E-04 2 6.9520797E-04 3 3.5327182E-03 4 1.4474820E-02 5 4.5054273E-02 6 1.1795617E-01 7 2.3558122E-01 8 3.1997592E-01 9 3.2523711E-01 10 2.2885764E-01 11 7.4289810E-02 *** Small-Component *** 12 3.4452393E-05 13 9.5540938E-05 14 3.2779428E-04 15 9.2536340E-04 16 1.9839884E-03 17 3.6146455E-03 18 4.9822159E-03 19 4.6246850E-03 20 3.1584026E-03 21 1.4411773E-03 22 2.8813476E-04 3D+ -6.3417354E-01 ------------ *** Large-Component *** 1 1.5670292E-04 2 6.6427575E-04 3 3.4020830E-03 4 1.4194979E-02 5 4.4465894E-02 6 1.1687711E-01 7 2.3403688E-01 8 3.1898828E-01 9 3.2590062E-01 10 2.3119825E-01 11 7.6376598E-02 *** Small-Component *** 12 3.2819718E-05 13 9.2844463E-05 14 3.2055259E-04 15 9.1163160E-04 16 1.9629512E-03 17 3.5854031E-03 18 4.9527115E-03 19 4.6118289E-03 20 3.1655708E-03 21 1.4561543E-03 22 2.9634885E-04 RADIAL MOMENTS Sym Orb S+ 1 1.49990E+03 2.70382E+01 5.61564E-02 4.24185E-03 4.03568E-04 4.64267E-05 2 1.46126E+02 5.87163E+00 2.53871E-01 7.61173E-02 2.60815E-02 1.01164E-02 3 2.11908E+01 1.82549E+00 7.73073E-01 6.89126E-01 6.89249E-01 7.68706E-01 4 1.07830E+00 4.12601E-01 3.10435E+00 1.12680E+01 4.70876E+01 2.24399E+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 8.54884E-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 7.96412E-01 8.83961E-01 1.11640E+00 D- 1 2.33355E+00 1.30482E+00 1.02434E+00 1.37039E+00 2.33450E+00 4.92455E+00 D+ 1 2.30682E+00 1.29757E+00 1.03043E+00 1.38739E+00 2.37924E+00 5.05207E+00