Cd20 ************************ 20e-GRECP for Cd by N.S.Mosyagin from 15.06.14 Pseudospinors from the 4d^10 5s^0.6 5p^0.4 state 20.00000000 1 2 1 1 1 4 4 1 4 1 4S1/2 7.601343289102461 -1.358035282649064 6.694162289772295 1.869440190095346 1.481525098582724 -0.9590348954583838 0.6196234570152367 -0.3741153282122143 5 2 4P1/2 4P3/2 11.69636903413236 -0.2247219307769560E-001 -0.1073386559373226E-001 5.390534718179287 -0.2047439939979018 -0.2195595415644418 2.412356029842525 0.5439849494418114 0.4952537280911494 1.053910188332206 0.5512030553847838 0.5808597904679873 0.4369531486171092 0.1225725873155525 0.1451416095992286 20 1 0 0.00 30.0 5S-AREP 4S1/2 0 1.235699241404020 6.000000000000000 0.000000000000000 0.000000000000000 1 153.7091495669794 10.40419261211900 0.000000000000000 0.000000000000000 1 100.8093949838159 -124.1402485576764 0.000000000000000 0.000000000000000 1 66.75832083446809 269.0746938072407 0.000000000000000 0.000000000000000 1 40.31055031654773 -132.2478334431180 0.000000000000000 0.000000000000000 2 52.55829352828030 -1679.220025775925 0.000000000000000 0.000000000000000 2 36.01607759554729 3366.274679812894 0.000000000000000 0.000000000000000 2 24.77337733193829 -3507.351135201898 0.000000000000000 0.000000000000000 2 16.93568988872453 3423.392809293007 0.000000000000000 0.000000000000000 2 11.50453162836463 -2822.593779628696 0.000000000000000 0.000000000000000 2 7.862343005419044 1941.698538599065 0.000000000000000 0.000000000000000 2 5.510843320340151 -915.6137161367642 0.000000000000000 0.000000000000000 2 3.929926783122728 294.9795861826278 0.000000000000000 0.000000000000000 2 2.790880976002076 -68.20847068999188 0.000000000000000 0.000000000000000 2 1.182318331045055 -1.222280780714277 0.000000000000000 0.000000000000000 2 17.78732613610713 0.000000000000000 0.000000000000000 -113.7975701011528 2 12.81794930008030 0.000000000000000 0.000000000000000 222.2113893798160 2 9.357670935573017 0.000000000000000 0.000000000000000 -165.1707602980532 2 6.803631719268743 0.000000000000000 0.000000000000000 41.94224520505463 2 0.2242478898447312 0.000000000000000 0.000000000000000 0.3526362885536405E-001 14 2 0 0.00 30.0 0.00 30.0 5P-AREP 5P-ESOP 4P1/2 4P3/2 0 36.71744953142622 5.000000000000000 0.000000000000000 0.000000000000000 0.000000000000000 1 71.42383656843180 -7.432630173629150 -0.4169315520030068 0.000000000000000 0.000000000000000 1 12.66114210616892 146.8618944243499 -5.437741408881266 0.000000000000000 0.000000000000000 1 8.976896472465675 -118.5976793248992 7.057830548263155 0.000000000000000 0.000000000000000 2 5.460100022587534 366.8778204411501 -32.52689621224999 0.000000000000000 0.000000000000000 2 3.939672119929305 -302.7066398856696 45.31490603042766 0.000000000000000 0.000000000000000 2 2.801441044836841 140.3913206350990 -26.23842603096273 0.000000000000000 0.000000000000000 2 1.993525289967353 -43.66406393609941 8.995854006207082 0.000000000000000 0.000000000000000 2 1.417765689330379 8.473865691616083 -1.710870649461867 0.000000000000000 0.000000000000000 2 0.9948246399003051 -0.8285753190907599 0.1337498295588375 0.000000000000000 0.000000000000000 1 0.6840245912735048 0.000000000000000 0.000000000000000 -0.9964044249439699 -1.003735412668148 1 0.4686920823227995 0.000000000000000 0.000000000000000 0.6497984569013832 0.6405901249990873 2 4.691127219714629 0.000000000000000 0.000000000000000 -8.591621851611595 -9.502715988156758 2 3.442194668899338 0.000000000000000 0.000000000000000 6.865628324574426 7.455494890462427 6 0 0 4D-AREP 4D-ESOP 0 3.748513136798698 3.000000000000000 0.000000000000000 1 16.65247268397792 17.53380934090615 0.4630939310663962E-001 2 5.160432134059188 23.08696134845377 -1.394016870923224 2 3.748512361677396 -1.805071641349059 2.035366037795029 2 2.703445807014580 -1.234571916252207 -0.4768874323235650 2 0.5425794595802808 0.1451528374846234E-001 0.1324296398490077E-002 9 0 0 4F-AREP 4F-ESOP 1 90.04193100262978 -10.75355740145955 0.6207808208080223E-001 1 64.88685516876876 19.77358072996753 -0.5236351045184620 1 32.10804305547779 -19.78602327356552 0.8281563693388421 2 13.49003319085420 -23.26508490510787 -0.2694239224197190 2 4.179767866044531 -1.412487663495483 0.7804428497559002E-001 2 2.928581563570676 0.3283463156042785 -0.3575077651146330E-001 2 0.6053955723651124 0.3350961573289624E-002 0.7463872063624422E-003 2 0.5033783048900888E-001 -0.4363289180794178E-005 0.4675607001132509E-005 2 0.7157087559196834E-002 0.3857693938857237E-006 0.3990295917603512E-006 The orbital energies for the closed shell configuration of the neutral atom in a.u. 4s1/2 -4.742464 4p1/2 -3.264216 4p3/2 -3.042760 4d3/2 -0.738211 4d5/2 -0.709840 5s1/2 -0.281221 The total energy -165.91340701