Scandium (IV, 2p frozen) BASIS 1S 16.80 2S 6.80 2P 8.45 3S 3.20 3S 5.25 3P 5.150 3P 3.350 3P 2.150 3D 0.90 3D 2.00 3D 4.40 4S 0.80 4S 1.15 4S 1.75 4P 1.14 END CORE 2 1 0 0 1S 25.20 1S 19.15 2S 7.95 2S 5.85 3S 4.30 3S 2.75 4S 0.78 4S 1.16 4S 1.80 2P 11.65 2P 6.95 3P 3.75 3P 2.25 END DESCRIPTION .29029417110936545088E+00 .71189450074329496676E+00 .31817742215137397033E-01 -.36664995145194473336E-01 .19055838152086793102E-01 -.10742448749755439952E-01 .12976227389653611360E-02 -.35496901979854317451E-02 .52594293316297526658E-02 .71571022659030147928E-01 -.44110458654381412558E+00 .95590312306231761674E+00 .14985293194116627857E+00 -.34823080864714403559E-01 .23414742759629472713E-01 -.34954970532873872770E-02 .93110402798215301245E-02 -.13089348058523055107E-01 .33028286323102379329E+00 .70453631072025724169E+00 -.57154413972497909290E-03 .11988034575525989122E-02 0/ END FIT 1S 33.60 2S 32.34 3S 28.61 4S 24.65 4S 16.81 5S 14.34 5S 10.15 6S 8.63 6S 6.28 6S 4.57 7S 3.89 7S 2.89 7S 2.15 7S 1.60 2P 25.25 3P 16.38 4P 10.80 5P 7.26 6P 4.97 6P 2.93 7P 2.04 3D 21.20 4D 13.50 5D 8.80 6D 5.86 6D 3.36 7D 2.28 4F 12.85 5F 7.29 5F 3.48 6F 2.04 5G 7.55 5G 3.89 5G 2.00 END FITCOEFFICIENTS .701668986229564098E+02 -.596586102050033560E+03 -.362462790667546642E+03 .431601236315400674E+05 .139869555717873482E+05 -.233634621286094007E+05 -.114300920597837361E+03 .215222159589925877E+04 .166625728395044689E+03 .760298235237542724E-01 .304121742235974934E+00 .238354053524670005E-01 .207784701240762513E-02 .803397696435084311E-05 .000000000000000000E+00 / END