4 CRENBL ECP 6149 ! ! BASIS="CRENBL ECP" !Elements References !--------- ---------- !H: T.H. Dunning, Jr. and P.J. Hay; Gaussian Basis Sets for Molecular ! Calculations, in Methods of Electronic Structure Theory, Vol. 3 (1975) ! !Li - Ar: L.F. Pacios and P. A. Christiansen, J. Chem. Phys. 82, 2664 (1985). !K - Kr: M.M. Hurley et al. J. Chem. Phys. 84, 6840 (1986). !Rb - I: L.A. LaJohn et al. J. Chem. Phys., 87, 2812 (1987). !Xe: M.M. Hurley et al. J. Chem. Phys. 84, 6840 (1986). !Cs: R.B. ROSS, W.C. ERMLER, P.A. CHRISTIANSEN ET AL. J. CHEM. ! PHYS. 93, (1990) 6654. !Ba: R.B. ROSS, W.C. ERMLER, P.A. CHRISTIANSEN, ET AL. SUB.TO ! J. CHEM. PHYS. !La: R.B. ROSS, W.C. ERMLER, P.A. CHRISTIANSEN ET AL. J. CHEM. ! PHYS. 93,(1990)6654. !Ce - Lu: R.B. Ross, W.C. Ermler, S. Das, To be published !Hf - Rn: R.B. ROSS, W.C. ERMLER, P.A. CHRISTIANSEN ET AL. J. CHEM. ! PHYS. 93,(1990)6654. !Fr - Pu: W.C. ERMLER, R.B. ROSS, P.A. CHRISTIANSEN, INT. J. QUANT. ! CHEM. 40,(1991)829. !Am - Uuo:C.S. NASH, B.E. BURSTEN, W.C. ERMLER, J. CHEM. PHYS. 1997 ! HYDROGEN ! (4s) S 1 1 13.36000000 1.000000000 S 1 1 2.013000000 1.000000000 S 1 1 0.4538000000 1.000000000 S 1 1 0.1233000000 1.000000000 LITHIUM ! (4s,4p) S 1 1 3.764000000 1.000000000 S 1 1 0.5641000000 1.000000000 S 1 1 0.7417000000E-01 1.000000000 S 1 1 0.2833000000E-01 1.000000000 P 1 1 1.487000000 1.000000000 P 1 1 0.2681000000 1.000000000 P 1 1 0.7252000000E-01 1.000000000 P 1 1 0.2385000000E-01 1.000000000 BERYLLIUM ! (4s,4p) S 1 1 7.890000000 1.000000000 S 1 1 1.306000000 1.000000000 S 1 1 0.1702000000 1.000000000 S 1 1 0.5668000000E-01 1.000000000 P 1 1 3.153000000 1.000000000 P 1 1 0.6252000000 1.000000000 P 1 1 0.1772000000 1.000000000 P 1 1 0.5673000000E-01 1.000000000 BORON ! (4s,4p) S 1 1 2.926000000 1.000000000 S 1 1 0.2964000000 1.000000000 S 1 1 0.1306000000 1.000000000 S 1 1 0.6673000000E-01 1.000000000 P 1 1 4.864000000 1.000000000 P 1 1 1.019000000 1.000000000 P 1 1 0.2879000000 1.000000000 P 1 1 0.8601000000E-01 1.000000000 CARBON ! (4s,4p) S 1 1 4.362000000 1.000000000 S 1 1 0.4366000000 1.000000000 S 1 1 0.1723000000 1.000000000 S 1 1 0.8716000000E-01 1.000000000 P 1 1 6.787000000 1.000000000 P 1 1 1.497000000 1.000000000 P 1 1 0.4297000000 1.000000000 P 1 1 0.1286000000 1.000000000 NITROGEN ! (4s,4p) S 1 1 6.261000000 1.000000000 S 1 1 0.6538000000 1.000000000 S 1 1 0.3152000000 1.000000000 S 1 1 0.1734000000 1.000000000 P 1 1 10.11000000 1.000000000 P 1 1 2.269000000 1.000000000 P 1 1 0.6487000000 1.000000000 P 1 1 0.1904000000 1.000000000 OXYGEN ! (4s,4p) S 1 1 8.657000000 1.000000000 S 1 1 0.8692000000 1.000000000 S 1 1 0.3994000000 1.000000000 S 1 1 0.1978000000 1.000000000 P 1 1 13.34000000 1.000000000 P 1 1 3.016000000 1.000000000 P 1 1 0.8489000000 1.000000000 P 1 1 0.2371000000 1.000000000 FLUORINE ! (4s,4p) S 1 1 11.38000000 1.000000000 S 1 1 1.132000000 1.000000000 S 1 1 0.5625000000 1.000000000 S 1 1 0.2566000000 1.000000000 P 1 1 17.16000000 1.000000000 P 1 1 3.893000000 1.000000000 P 1 1 1.088000000 1.000000000 P 1 1 0.2980000000 1.000000000 NEON ! (4s,4p) S 1 1 14.30000000 1.000000000 S 1 1 1.528000000 1.000000000 S 1 1 0.5842000000 1.000000000 S 1 1 0.3118000000 1.000000000 P 1 1 22.12000000 1.000000000 P 1 1 5.125000000 1.000000000 P 1 1 1.433000000 1.000000000 P 1 1 0.3838000000 1.000000000 SODIUM ! (6s,4p) S 1 1 15.68000000 1.000000000 S 1 1 1.836000000 1.000000000 S 1 1 0.5784000000 1.000000000 S 1 1 0.3132000000 1.000000000 S 1 1 0.7191000000E-01 1.000000000 S 1 1 0.2914000000E-01 1.000000000 P 1 1 25.26000000 1.000000000 P 1 1 5.895000000 1.000000000 P 1 1 1.706000000 1.000000000 P 1 1 0.5024000000 1.000000000 MAGNESIUM ! (6s,4p) S 1 1 19.33000000 1.000000000 S 1 1 2.148000000 1.000000000 S 1 1 0.7270000000 1.000000000 S 1 1 0.2206000000 1.000000000 S 1 1 0.7381000000E-01 1.000000000 S 1 1 0.2394000000E-01 1.000000000 P 1 1 24.45000000 1.000000000 P 1 1 5.690000000 1.000000000 P 1 1 1.699000000 1.000000000 P 1 1 0.5505000000 1.000000000 ALUMINUM ! (4s,4p) S 1 1 9.351000000 1.000000000 S 1 1 0.9572000000 1.000000000 S 1 1 0.1586000000 1.000000000 S 1 1 0.5381000000E-01 1.000000000 P 1 1 3.906000000 1.000000000 P 1 1 1.567000000 1.000000000 P 1 1 0.1977000000 1.000000000 P 1 1 0.5730000000E-01 1.000000000 SILICON ! (4s,4p) S 1 1 11.07000000 1.000000000 S 1 1 1.221000000 1.000000000 S 1 1 0.2473000000 1.000000000 S 1 1 0.8624000000E-01 1.000000000 P 1 1 6.671000000 1.000000000 P 1 1 2.120000000 1.000000000 P 1 1 0.2975000000 1.000000000 P 1 1 0.8867000000E-01 1.000000000 PHOSPHORUS ! (4s,4p) S 1 1 14.10000000 1.000000000 S 1 1 1.502000000 1.000000000 S 1 1 0.3242000000 1.000000000 S 1 1 0.1135000000 1.000000000 P 1 1 8.140000000 1.000000000 P 1 1 2.648000000 1.000000000 P 1 1 0.4016000000 1.000000000 P 1 1 0.1218000000 1.000000000 SULFUR ! (4s,4p) S 1 1 17.03000000 1.000000000 S 1 1 1.777000000 1.000000000 S 1 1 0.4184000000 1.000000000 S 1 1 0.1449000000 1.000000000 P 1 1 11.84000000 1.000000000 P 1 1 3.599000000 1.000000000 P 1 1 0.5082000000 1.000000000 P 1 1 0.1492000000 1.000000000 CHLORINE ! (4s,4p) S 1 1 21.51000000 1.000000000 S 1 1 2.145000000 1.000000000 S 1 1 0.5119000000 1.000000000 S 1 1 0.1799000000 1.000000000 P 1 1 14.55000000 1.000000000 P 1 1 4.179000000 1.000000000 P 1 1 0.6291000000 1.000000000 P 1 1 0.1830000000 1.000000000 ARGON ! (4s,4p) S 1 1 25.99000000 1.000000000 S 1 1 2.336000000 1.000000000 S 1 1 0.6503000000 1.000000000 S 1 1 0.2240000000 1.000000000 P 1 1 16.49000000 1.000000000 P 1 1 5.255000000 1.000000000 P 1 1 0.7689000000 1.000000000 P 1 1 0.2223000000 1.000000000 POTASSIUM ! (5s,4p) S 1 1 2.889000000 1.000000000 S 1 1 0.8196000000 1.000000000 S 1 1 0.3127000000 1.000000000 S 1 1 0.3388000000E-01 1.000000000 S 1 1 0.1725000000E-01 1.000000000 P 1 1 8.714000000 1.000000000 P 1 1 1.089000000 1.000000000 P 1 1 0.5906000000 1.000000000 P 1 1 0.2267000000 1.000000000 CALCIUM ! (5s,4p) S 1 1 3.335000000 1.000000000 S 1 1 0.9892000000 1.000000000 S 1 1 0.3977000000 1.000000000 S 1 1 0.6394000000E-01 1.000000000 S 1 1 0.2670000000E-01 1.000000000 P 1 1 10.55000000 1.000000000 P 1 1 1.326000000 1.000000000 P 1 1 0.7696000000 1.000000000 P 1 1 0.3007000000 1.000000000 SCANDIUM ! (7s,6p,6d) S 1 1 36.58000000 1.000000000 S 1 1 11.04000000 1.000000000 S 1 1 4.491000000 1.000000000 S 1 1 1.129000000 1.000000000 S 1 1 0.4546000000 1.000000000 S 1 1 0.7753000000E-01 1.000000000 S 1 1 0.3079000000E-01 1.000000000 P 1 1 32.59000000 1.000000000 P 1 1 13.22000000 1.000000000 P 1 1 5.584000000 1.000000000 P 1 1 2.186000000 1.000000000 P 1 1 0.8950000000 1.000000000 P 1 1 0.3520000000 1.000000000 D 1 1 22.43000000 1.000000000 D 1 1 6.035000000 1.000000000 D 1 1 1.979000000 1.000000000 D 1 1 0.6668000000 1.000000000 D 1 1 0.2182000000 1.000000000 D 1 1 0.5880000000E-01 1.000000000 TITANIUM ! (7s,6p,6d) S 1 1 39.81000000 1.000000000 S 1 1 12.22000000 1.000000000 S 1 1 5.009000000 1.000000000 S 1 1 1.286000000 1.000000000 S 1 1 0.5128000000 1.000000000 S 1 1 0.8558000000E-01 1.000000000 S 1 1 0.3300000000E-01 1.000000000 P 1 1 36.37000000 1.000000000 P 1 1 14.78000000 1.000000000 P 1 1 6.275000000 1.000000000 P 1 1 2.479000000 1.000000000 P 1 1 1.016000000 1.000000000 P 1 1 0.3982000000 1.000000000 D 1 1 25.99000000 1.000000000 D 1 1 7.086000000 1.000000000 D 1 1 2.349000000 1.000000000 D 1 1 0.8002000000 1.000000000 D 1 1 0.2620000000 1.000000000 D 1 1 0.7200000000E-01 1.000000000 VANADIUM ! (7s,6p,6d) S 1 1 43.25000000 1.000000000 S 1 1 13.51000000 1.000000000 S 1 1 5.567000000 1.000000000 S 1 1 1.452000000 1.000000000 S 1 1 0.5744000000 1.000000000 S 1 1 0.9282000000E-01 1.000000000 S 1 1 0.3553000000E-01 1.000000000 P 1 1 40.32000000 1.000000000 P 1 1 16.46000000 1.000000000 P 1 1 7.024000000 1.000000000 P 1 1 2.790000000 1.000000000 P 1 1 1.146000000 1.000000000 P 1 1 0.4473000000 1.000000000 D 1 1 30.22000000 1.000000000 D 1 1 8.272000000 1.000000000 D 1 1 2.758000000 1.000000000 D 1 1 0.9421000000 1.000000000 D 1 1 0.3053000000 1.000000000 D 1 1 0.8200000000E-01 1.000000000 CHROMIUM ! (7s,6p,6d) S 1 1 46.37000000 1.000000000 S 1 1 14.82000000 1.000000000 S 1 1 6.133000000 1.000000000 S 1 1 1.630000000 1.000000000 S 1 1 0.6412000000 1.000000000 S 1 1 0.9551000000E-01 1.000000000 S 1 1 0.3759000000E-01 1.000000000 P 1 1 43.20000000 1.000000000 P 1 1 17.78000000 1.000000000 P 1 1 7.661000000 1.000000000 P 1 1 3.077000000 1.000000000 P 1 1 1.266000000 1.000000000 P 1 1 0.4935000000 1.000000000 D 1 1 34.02000000 1.000000000 D 1 1 9.432000000 1.000000000 D 1 1 3.159000000 1.000000000 D 1 1 1.080000000 1.000000000 D 1 1 0.3466000000 1.000000000 D 1 1 0.9120000000E-01 1.000000000 MANGANESE ! (7s,6p,6d) S 1 1 49.12000000 1.000000000 S 1 1 16.09000000 1.000000000 S 1 1 6.704000000 1.000000000 S 1 1 1.805000000 1.000000000 S 1 1 0.7030000000 1.000000000 S 1 1 0.1064000000 1.000000000 S 1 1 0.3962000000E-01 1.000000000 P 1 1 44.61000000 1.000000000 P 1 1 18.60000000 1.000000000 P 1 1 8.138000000 1.000000000 P 1 1 3.337000000 1.000000000 P 1 1 1.379000000 1.000000000 P 1 1 0.5386000000 1.000000000 D 1 1 37.90000000 1.000000000 D 1 1 10.52000000 1.000000000 D 1 1 3.538000000 1.000000000 D 1 1 1.212000000 1.000000000 D 1 1 0.3879000000 1.000000000 D 1 1 0.1054000000 1.000000000 IRON ! (7s,6p,6d) S 1 1 53.50000000 1.000000000 S 1 1 17.72000000 1.000000000 S 1 1 7.377000000 1.000000000 S 1 1 2.018000000 1.000000000 S 1 1 0.7799000000 1.000000000 S 1 1 0.1142000000 1.000000000 S 1 1 0.4189000000E-01 1.000000000 P 1 1 49.12000000 1.000000000 P 1 1 20.50000000 1.000000000 P 1 1 8.987000000 1.000000000 P 1 1 3.682000000 1.000000000 P 1 1 1.522000000 1.000000000 P 1 1 0.5927000000 1.000000000 D 1 1 41.45000000 1.000000000 D 1 1 11.54000000 1.000000000 D 1 1 3.885000000 1.000000000 D 1 1 1.324000000 1.000000000 D 1 1 0.4167000000 1.000000000 D 1 1 0.1133000000 1.000000000 COBALT ! (7s,6p,6d) S 1 1 56.12000000 1.000000000 S 1 1 18.92000000 1.000000000 S 1 1 7.952000000 1.000000000 S 1 1 2.198000000 1.000000000 S 1 1 0.8467000000 1.000000000 S 1 1 0.1223000000 1.000000000 S 1 1 0.4417000000E-01 1.000000000 P 1 1 49.24000000 1.000000000 P 1 1 20.75000000 1.000000000 P 1 1 9.204000000 1.000000000 P 1 1 3.818000000 1.000000000 P 1 1 1.588000000 1.000000000 P 1 1 0.6247000000 1.000000000 D 1 1 44.98000000 1.000000000 D 1 1 12.57000000 1.000000000 D 1 1 4.244000000 1.000000000 D 1 1 1.443000000 1.000000000 D 1 1 0.4500000000 1.000000000 D 1 1 0.1219000000 1.000000000 NICKEL ! (7s,6p,6d) S 1 1 59.26000000 1.000000000 S 1 1 20.37000000 1.000000000 S 1 1 8.594000000 1.000000000 S 1 1 2.394000000 1.000000000 S 1 1 0.9182000000 1.000000000 S 1 1 0.1302000000 1.000000000 S 1 1 0.4639000000E-01 1.000000000 P 1 1 53.17000000 1.000000000 P 1 1 22.39000000 1.000000000 P 1 1 9.928000000 1.000000000 P 1 1 4.116000000 1.000000000 P 1 1 1.710000000 1.000000000 P 1 1 0.6725000000 1.000000000 D 1 1 48.94000000 1.000000000 D 1 1 13.72000000 1.000000000 D 1 1 4.640000000 1.000000000 D 1 1 1.574000000 1.000000000 D 1 1 0.4864000000 1.000000000 D 1 1 0.1316000000 1.000000000 COPPER ! (7s,6p,6d) S 1 1 64.63000000 1.000000000 S 1 1 22.14000000 1.000000000 S 1 1 9.347000000 1.000000000 S 1 1 2.609000000 1.000000000 S 1 1 0.9972000000 1.000000000 S 1 1 0.1401000000 1.000000000 S 1 1 0.4936000000E-01 1.000000000 P 1 1 60.48000000 1.000000000 P 1 1 25.36000000 1.000000000 P 1 1 11.17000000 1.000000000 P 1 1 4.564000000 1.000000000 P 1 1 1.884000000 1.000000000 P 1 1 0.7347000000 1.000000000 D 1 1 53.65000000 1.000000000 D 1 1 15.07000000 1.000000000 D 1 1 5.104000000 1.000000000 D 1 1 1.727000000 1.000000000 D 1 1 0.5283000000 1.000000000 D 1 1 0.1491000000 1.000000000 ZINC ! (7s,6p,6d) S 1 1 68.59000000 1.000000000 S 1 1 23.71000000 1.000000000 S 1 1 10.04000000 1.000000000 S 1 1 2.810000000 1.000000000 S 1 1 1.070000000 1.000000000 S 1 1 0.1470000000 1.000000000 S 1 1 0.5114000000E-01 1.000000000 P 1 1 66.08000000 1.000000000 P 1 1 27.69000000 1.000000000 P 1 1 12.18000000 1.000000000 P 1 1 4.988000000 1.000000000 P 1 1 2.058000000 1.000000000 P 1 1 0.7986000000 1.000000000 D 1 1 58.41000000 1.000000000 D 1 1 16.45000000 1.000000000 D 1 1 5.576000000 1.000000000 D 1 1 1.884000000 1.000000000 D 1 1 0.5723000000 1.000000000 D 1 1 0.1908000000 1.000000000 GALLIUM ! (3s,3p,4d) S 1 1 0.9738000000 1.000000000 S 1 1 0.2215000000 1.000000000 S 1 1 0.7653000000E-01 1.000000000 P 1 1 1.708000000 1.000000000 P 1 1 0.2018000000 1.000000000 P 1 1 0.5750000000E-01 1.000000000 D 1 1 39.56000000 1.000000000 D 1 1 10.68000000 1.000000000 D 1 1 3.280000000 1.000000000 D 1 1 0.9131000000 1.000000000 GERMANIUM ! (3s,3p,4d) S 1 1 1.018000000 1.000000000 S 1 1 0.3188000000 1.000000000 S 1 1 0.1030000000 1.000000000 P 1 1 1.836000000 1.000000000 P 1 1 0.2622000000 1.000000000 P 1 1 0.7976000000E-01 1.000000000 D 1 1 44.88000000 1.000000000 D 1 1 12.25000000 1.000000000 D 1 1 3.832000000 1.000000000 D 1 1 1.106000000 1.000000000 ARSENIC ! (3s,3p,4d) S 1 1 1.221000000 1.000000000 S 1 1 0.3200000000 1.000000000 S 1 1 0.1138000000 1.000000000 P 1 1 1.976000000 1.000000000 P 1 1 0.3232000000 1.000000000 P 1 1 0.1024000000 1.000000000 D 1 1 50.14000000 1.000000000 D 1 1 13.81000000 1.000000000 D 1 1 4.383000000 1.000000000 D 1 1 1.304000000 1.000000000 SELENIUM ! (3s,3p,4d) S 1 1 1.340000000 1.000000000 S 1 1 0.3717000000 1.000000000 S 1 1 0.1322000000 1.000000000 P 1 1 2.142000000 1.000000000 P 1 1 0.3854000000 1.000000000 P 1 1 0.1195000000 1.000000000 D 1 1 55.15000000 1.000000000 D 1 1 15.38000000 1.000000000 D 1 1 4.947000000 1.000000000 D 1 1 1.506000000 1.000000000 BROMINE ! (3s,3p,4d) S 1 1 1.380000000 1.000000000 S 1 1 0.5223000000 1.000000000 S 1 1 0.1727000000 1.000000000 P 1 1 2.537000000 1.000000000 P 1 1 0.4497000000 1.000000000 P 1 1 0.1396000000 1.000000000 D 1 1 62.41000000 1.000000000 D 1 1 17.27000000 1.000000000 D 1 1 5.583000000 1.000000000 D 1 1 1.732000000 1.000000000 KRYPTON ! (3s,3p,4d) S 1 1 1.597000000 1.000000000 S 1 1 0.4865000000 1.000000000 S 1 1 0.1694000000 1.000000000 P 1 1 2.666000000 1.000000000 P 1 1 0.5176000000 1.000000000 P 1 1 0.1618000000 1.000000000 D 1 1 68.53000000 1.000000000 D 1 1 19.02000000 1.000000000 D 1 1 6.195000000 1.000000000 D 1 1 1.954000000 1.000000000 RUBIDIUM ! (5s,5p) S 1 1 1.385000000 1.000000000 S 1 1 0.9859000000 1.000000000 S 1 1 0.2822000000 1.000000000 S 1 1 0.3220000000E-01 1.000000000 S 1 1 0.1625000000E-01 1.000000000 P 1 1 3.070000000 1.000000000 P 1 1 0.6119000000 1.000000000 P 1 1 0.2125000000 1.000000000 P 1 1 0.3190000000E-01 1.000000000 P 1 1 0.1240000000E-01 1.000000000 STRONTIUM ! (5s,5p) S 1 1 1.553000000 1.000000000 S 1 1 1.071000000 1.000000000 S 1 1 0.3344000000 1.000000000 S 1 1 0.5818000000E-01 1.000000000 S 1 1 0.2567000000E-01 1.000000000 P 1 1 3.004000000 1.000000000 P 1 1 0.7418000000 1.000000000 P 1 1 0.2801000000 1.000000000 P 1 1 0.5700000000E-01 1.000000000 P 1 1 0.2220000000E-01 1.000000000 YTTRIUM ! (5s,5p,4d) S 1 1 2.063000000 1.000000000 S 1 1 0.7347000000 1.000000000 S 1 1 0.2967000000 1.000000000 S 1 1 0.8233000000E-01 1.000000000 S 1 1 0.3142000000E-01 1.000000000 P 1 1 3.564000000 1.000000000 P 1 1 0.7957000000 1.000000000 P 1 1 0.3022000000 1.000000000 P 1 1 0.6290000000E-01 1.000000000 P 1 1 0.2230000000E-01 1.000000000 D 1 1 1.362000000 1.000000000 D 1 1 0.6011000000 1.000000000 D 1 1 0.2089000000 1.000000000 D 1 1 0.6851000000E-01 1.000000000 ZIRCONIUM ! (5s,5p,4d) S 1 1 1.854000000 1.000000000 S 1 1 1.164000000 1.000000000 S 1 1 0.3878000000 1.000000000 S 1 1 0.8328000000E-01 1.000000000 S 1 1 0.3336000000E-01 1.000000000 P 1 1 3.506000000 1.000000000 P 1 1 0.9009000000 1.000000000 P 1 1 0.3346000000 1.000000000 P 1 1 0.7240000000E-01 1.000000000 P 1 1 0.2430000000E-01 1.000000000 D 1 1 1.590000000 1.000000000 D 1 1 0.7796000000 1.000000000 D 1 1 0.2955000000 1.000000000 D 1 1 0.9587000000E-01 1.000000000 NIOBIUM ! (5s,5p,4d) S 1 1 1.986000000 1.000000000 S 1 1 1.354000000 1.000000000 S 1 1 0.4385000000 1.000000000 S 1 1 0.8841000000E-01 1.000000000 S 1 1 0.3613000000E-01 1.000000000 P 1 1 3.986000000 1.000000000 P 1 1 1.013000000 1.000000000 P 1 1 0.3801000000 1.000000000 P 1 1 0.7520000000E-01 1.000000000 P 1 1 0.2470000000E-01 1.000000000 D 1 1 1.610000000 1.000000000 D 1 1 0.8607000000 1.000000000 D 1 1 0.3356000000 1.000000000 D 1 1 0.1084000000 1.000000000 MOLYBDENUM ! (5s,5p,4d) S 1 1 2.430000000 1.000000000 S 1 1 1.145000000 1.000000000 S 1 1 0.4134000000 1.000000000 S 1 1 0.8971000000E-01 1.000000000 S 1 1 0.3741000000E-01 1.000000000 P 1 1 4.483000000 1.000000000 P 1 1 1.095000000 1.000000000 P 1 1 0.4120000000 1.000000000 P 1 1 0.7800000000E-01 1.000000000 P 1 1 0.2470000000E-01 1.000000000 D 1 1 1.866000000 1.000000000 D 1 1 0.9759000000 1.000000000 D 1 1 0.3842000000 1.000000000 D 1 1 0.1270000000 1.000000000 TECHNETIUM ! (5s,5p,4d) S 1 1 2.897000000 1.000000000 S 1 1 1.141000000 1.000000000 S 1 1 0.4814000000 1.000000000 S 1 1 0.1079000000 1.000000000 S 1 1 0.3908000000E-01 1.000000000 P 1 1 4.321000000 1.000000000 P 1 1 1.229000000 1.000000000 P 1 1 0.4700000000 1.000000000 P 1 1 0.8950000000E-01 1.000000000 P 1 1 0.2460000000E-01 1.000000000 D 1 1 2.169000000 1.000000000 D 1 1 1.118000000 1.000000000 D 1 1 0.4666000000 1.000000000 D 1 1 0.1675000000 1.000000000 RUTHENIUM ! (5s,5p,4d) S 1 1 2.932000000 1.000000000 S 1 1 1.211000000 1.000000000 S 1 1 0.4243000000 1.000000000 S 1 1 0.1101000000 1.000000000 S 1 1 0.3952000000E-01 1.000000000 P 1 1 4.944000000 1.000000000 P 1 1 1.306000000 1.000000000 P 1 1 0.4891000000 1.000000000 P 1 1 0.8300000000E-01 1.000000000 P 1 1 0.2500000000E-01 1.000000000 D 1 1 2.285000000 1.000000000 D 1 1 1.259000000 1.000000000 D 1 1 0.5012000000 1.000000000 D 1 1 0.1635000000 1.000000000 RHODIUM ! (5s,5p,4d) S 1 1 3.050000000 1.000000000 S 1 1 1.368000000 1.000000000 S 1 1 0.4875000000 1.000000000 S 1 1 0.1025000000 1.000000000 S 1 1 0.3710000000E-01 1.000000000 P 1 1 5.235000000 1.000000000 P 1 1 1.488000000 1.000000000 P 1 1 0.5655000000 1.000000000 P 1 1 0.8690000000E-01 1.000000000 P 1 1 0.2570000000E-01 1.000000000 D 1 1 2.916000000 1.000000000 D 1 1 1.548000000 1.000000000 D 1 1 0.6070000000 1.000000000 D 1 1 0.1955000000 1.000000000 PALLADIUM ! (5s,5p,4d) S 1 1 3.317000000 1.000000000 S 1 1 1.433000000 1.000000000 S 1 1 0.5058000000 1.000000000 S 1 1 0.1186000000 1.000000000 S 1 1 0.4140000000E-01 1.000000000 P 1 1 5.085000000 1.000000000 P 1 1 1.560000000 1.000000000 P 1 1 0.5804000000 1.000000000 P 1 1 0.8990000000E-01 1.000000000 P 1 1 0.2620000000E-01 1.000000000 D 1 1 2.793000000 1.000000000 D 1 1 1.553000000 1.000000000 D 1 1 0.6220000000 1.000000000 D 1 1 0.2038000000 1.000000000 SILVER ! (5s,5p,4d) S 1 1 2.755000000 1.000000000 S 1 1 2.283000000 1.000000000 S 1 1 0.6654000000 1.000000000 S 1 1 0.1015000000 1.000000000 S 1 1 0.3656000000E-01 1.000000000 P 1 1 5.594000000 1.000000000 P 1 1 1.683000000 1.000000000 P 1 1 0.6177000000 1.000000000 P 1 1 0.8330000000E-01 1.000000000 P 1 1 0.2520000000E-01 1.000000000 D 1 1 2.651000000 1.000000000 D 1 1 1.457000000 1.000000000 D 1 1 0.6517000000 1.000000000 D 1 1 0.2210000000 1.000000000 CADMIUM ! (5s,5p,4d) S 1 1 3.416000000 1.000000000 S 1 1 1.934000000 1.000000000 S 1 1 0.6238000000 1.000000000 S 1 1 0.1397000000 1.000000000 S 1 1 0.4756000000E-01 1.000000000 P 1 1 6.085000000 1.000000000 P 1 1 1.854000000 1.000000000 P 1 1 0.7771000000 1.000000000 P 1 1 0.1287000000 1.000000000 P 1 1 0.4050000000E-01 1.000000000 D 1 1 3.098000000 1.000000000 D 1 1 1.568000000 1.000000000 D 1 1 0.6716000000 1.000000000 D 1 1 0.2427000000 1.000000000 INDIUM ! (3s,3p,4d) S 1 1 0.5332000000 1.000000000 S 1 1 0.2776000000 1.000000000 S 1 1 0.7460000000E-01 1.000000000 P 1 1 0.9011000000 1.000000000 P 1 1 0.1535000000 1.000000000 P 1 1 0.4720000000E-01 1.000000000 D 1 1 2.884000000 1.000000000 D 1 1 1.259000000 1.000000000 D 1 1 0.5376000000 1.000000000 D 1 1 0.2129000000 1.000000000 TIN ! (3s,3p,4d) S 1 1 0.5541000000 1.000000000 S 1 1 0.3584000000 1.000000000 S 1 1 0.9380000000E-01 1.000000000 P 1 1 0.9270000000 1.000000000 P 1 1 0.1967000000 1.000000000 P 1 1 0.6420000000E-01 1.000000000 D 1 1 3.120000000 1.000000000 D 1 1 1.386400000 1.000000000 D 1 1 0.6053000000 1.000000000 D 1 1 0.2423000000 1.000000000 ANTIMONY ! (3s,3p,4d) S 1 1 0.5598000000 1.000000000 S 1 1 0.4423000000 1.000000000 S 1 1 0.1121000000 1.000000000 P 1 1 0.9976000000 1.000000000 P 1 1 0.2405000000 1.000000000 P 1 1 0.8140000000E-01 1.000000000 D 1 1 3.521300000 1.000000000 D 1 1 1.679100000 1.000000000 D 1 1 0.7781000000 1.000000000 D 1 1 0.3187000000 1.000000000 TELLERIUM ! (3s,3p,4d) S 1 1 0.6387000000 1.000000000 S 1 1 0.4669000000 1.000000000 S 1 1 0.1264000000 1.000000000 P 1 1 1.079500000 1.000000000 P 1 1 0.3084000000 1.000000000 P 1 1 0.1033000000 1.000000000 D 1 1 3.787900000 1.000000000 D 1 1 2.457700000 1.000000000 D 1 1 1.207100000 1.000000000 D 1 1 0.4707000000 1.000000000 IODINE ! (3s,3p,4d) S 1 1 0.6803000000 1.000000000 S 1 1 0.5208000000 1.000000000 S 1 1 0.1143000000 1.000000000 P 1 1 1.125000000 1.000000000 P 1 1 0.3508000000 1.000000000 P 1 1 0.1166000000 1.000000000 D 1 1 3.950200000 1.000000000 D 1 1 2.574200000 1.000000000 D 1 1 1.307100000 1.000000000 D 1 1 0.5116000000 1.000000000 XENON ! (3s,3p,4d) S 1 1 0.7127000000 1.000000000 S 1 1 0.5719000000 1.000000000 S 1 1 0.1519000000 1.000000000 P 1 1 1.235300000 1.000000000 P 1 1 0.3726000000 1.000000000 P 1 1 0.1229000000 1.000000000 D 1 1 4.511900000 1.000000000 D 1 1 2.479900000 1.000000000 D 1 1 1.298300000 1.000000000 D 1 1 0.5435000000 1.000000000 CESIUM ! (5s,5p,4d) S 1 1 0.8433000000 1.000000000 S 1 1 0.5655000000 1.000000000 S 1 1 0.1766000000 1.000000000 S 1 1 0.3270000000E-01 1.000000000 S 1 1 0.1670000000E-01 1.000000000 P 1 1 1.464000000 1.000000000 P 1 1 0.4231000000 1.000000000 P 1 1 0.1560000000 1.000000000 P 1 1 0.2790000000E-01 1.000000000 P 1 1 0.1130000000E-01 1.000000000 D 1 1 1.615000000 1.000000000 D 1 1 0.4547000000 1.000000000 D 1 1 0.1690000000 1.000000000 D 1 1 0.3070000000E-01 1.000000000 BARIUM ! (5s,5p,4d) S 1 1 0.8292000000 1.000000000 S 1 1 0.6845000000 1.000000000 S 1 1 0.1949000000 1.000000000 S 1 1 0.6810000000E-01 1.000000000 S 1 1 0.2580000000E-01 1.000000000 P 1 1 1.448000000 1.000000000 P 1 1 0.5036000000 1.000000000 P 1 1 0.1981000000 1.000000000 P 1 1 0.4760000000E-01 1.000000000 P 1 1 0.1930000000E-01 1.000000000 D 1 1 1.766000000 1.000000000 D 1 1 0.5269000000 1.000000000 D 1 1 0.2000000000 1.000000000 D 1 1 0.5270000000E-01 1.000000000 LANTHANUM ! (5s,5p,4d) S 1 1 0.8937000000 1.000000000 S 1 1 0.7319000000 1.000000000 S 1 1 0.2138000000 1.000000000 S 1 1 0.6420000000E-01 1.000000000 S 1 1 0.2790000000E-01 1.000000000 P 1 1 1.566000000 1.000000000 P 1 1 0.5698000000 1.000000000 P 1 1 0.2199000000 1.000000000 P 1 1 0.4030000000E-01 1.000000000 P 1 1 0.1790000000E-01 1.000000000 D 1 1 1.900000000 1.000000000 D 1 1 0.4433000000 1.000000000 D 1 1 0.1625000000 1.000000000 D 1 1 0.5550000000E-01 1.000000000 CERIUM ! (6s,6p,6d,6f) S 1 1 0.9018000000 1.000000000 S 1 1 0.3558000000 1.000000000 S 1 1 0.2580000000 1.000000000 S 1 1 0.6719000000E-01 1.000000000 S 1 1 0.3169000000E-01 1.000000000 S 1 1 0.1471000000E-01 1.000000000 P 1 1 1.854000000 1.000000000 P 1 1 0.2073000000 1.000000000 P 1 1 0.1229000000 1.000000000 P 1 1 0.5814000000E-01 1.000000000 P 1 1 0.2833000000E-01 1.000000000 P 1 1 0.1234000000E-01 1.000000000 D 1 1 3.679000000 1.000000000 D 1 1 0.5340000000 1.000000000 D 1 1 0.2463000000 1.000000000 D 1 1 0.1281000000 1.000000000 D 1 1 0.6433000000E-01 1.000000000 D 1 1 0.2956000000E-01 1.000000000 F 1 1 54.74000000 1.000000000 F 1 1 18.24000000 1.000000000 F 1 1 6.956000000 1.000000000 F 1 1 2.793000000 1.000000000 F 1 1 1.068000000 1.000000000 F 1 1 0.3499000000 1.000000000 PRASEODYNIUM ! (6s,6p,6d,6f) S 1 1 2.568000000 1.000000000 S 1 1 0.3517000000 1.000000000 S 1 1 0.3036000000 1.000000000 S 1 1 0.5512000000E-01 1.000000000 S 1 1 0.2796000000E-01 1.000000000 S 1 1 0.1450000000E-01 1.000000000 P 1 1 0.9555000000 1.000000000 P 1 1 0.6262000000 1.000000000 P 1 1 0.4320000000 1.000000000 P 1 1 0.8774000000E-01 1.000000000 P 1 1 0.3315000000E-01 1.000000000 P 1 1 0.2096000000E-01 1.000000000 D 1 1 4.459000000 1.000000000 D 1 1 0.5570000000 1.000000000 D 1 1 0.2596000000 1.000000000 D 1 1 0.1362000000 1.000000000 D 1 1 0.6557000000E-01 1.000000000 D 1 1 0.2857000000E-01 1.000000000 F 1 1 59.55000000 1.000000000 F 1 1 18.27000000 1.000000000 F 1 1 7.223000000 1.000000000 F 1 1 2.829000000 1.000000000 F 1 1 1.050000000 1.000000000 F 1 1 0.3390000000 1.000000000 NEODYMIUM ! (6s,6p,6d,6f) S 1 1 2.529000000 1.000000000 S 1 1 0.3766000000 1.000000000 S 1 1 0.3073000000 1.000000000 S 1 1 0.5592000000E-01 1.000000000 S 1 1 0.2781000000E-01 1.000000000 S 1 1 0.1434000000E-01 1.000000000 P 1 1 2.170000000 1.000000000 P 1 1 0.3192000000 1.000000000 P 1 1 0.1009000000 1.000000000 P 1 1 0.4985000000E-01 1.000000000 P 1 1 0.3010000000E-01 1.000000000 P 1 1 0.1197000000E-01 1.000000000 D 1 1 4.303000000 1.000000000 D 1 1 0.5902000000 1.000000000 D 1 1 0.2741000000 1.000000000 D 1 1 0.1425000000 1.000000000 D 1 1 0.7009000000E-01 1.000000000 D 1 1 0.3173000000E-01 1.000000000 F 1 1 62.64000000 1.000000000 F 1 1 19.71000000 1.000000000 F 1 1 7.825000000 1.000000000 F 1 1 3.062000000 1.000000000 F 1 1 1.143000000 1.000000000 F 1 1 0.3711000000 1.000000000 Effective Core Potential ------------------------ LI-ECP GEN 2 1 3 ----- P POTENTIAL ----- -0.11866700 2 0.80780000 -1.21779400 2 2.55000001 -1.37580501 1 7.25349998 4 ----- S-P POTENTIAL ----- 24.33369899 2 0.79980000 -20.66639709 2 0.77410000 -1.14289200 1 1.19430000 2.99401900 0 2.19990000 BE-ECP GEN 2 1 3 ----- P POTENTIAL ----- -0.25828800 2 1.88230000 -2.09550900 2 6.05660000 -1.39610200 1 17.07800000 4 ----- S-P POTENTIAL ----- -28.57470500 2 1.51470000 35.73522700 2 1.58470000 -1.31942100 1 2.30910000 2.96972500 0 4.20010000 B-ECP GEN 2 1 3 ----- P POTENTIAL ----- -0.43494600 2 3.56130004 -3.20745206 2 11.78320026 -1.41778803 1 33.37820053 4 ----- S-P POTENTIAL ----- -37.55111694 2 2.51550007 51.02549744 2 2.68079996 -2.38443398 1 3.95619988 2.97974205 0 7.41090012 C-ECP GEN 2 1 3 ----- P POTENTIAL ----- -0.55931300 2 5.35280001 -4.07454997 2 18.06680012 -1.43484600 1 51.61590004 4 ----- S-P POTENTIAL ----- -47.09821510 2 3.81909999 71.58925819 2 4.17320001 -4.67536402 1 6.27069998 3.03797001 0 12.21120000 N-ECP GEN 2 1 3 ----- P POTENTIAL ----- -0.67093700 2 7.47939998 -4.87202299 2 25.34080005 -1.45602100 1 73.08880043 4 ----- S-P POTENTIAL ----- -60.38108397 2 4.17259997 69.86420631 2 4.74250001 -9.60874701 1 8.16100001 3.27333000 0 2.38600001 O-ECP GEN 2 1 3 ----- P POTENTIAL ----- -0.79842000 2 10.02859998 -5.76684701 2 34.19799995 -1.48645601 1 100.00389957 4 ----- S-P POTENTIAL ----- 11.21630394 2 2.24790001 -16.34447694 2 2.40490001 1.04294400 1 4.37400001 2.19389099 0 2.18920001 F-ECP GEN 2 1 3 ----- P POTENTIAL ----- -6.72302401 2 44.51660013 -0.92964900 2 12.94869995 -1.52673399 1 132.49670029 4 ----- S-P POTENTIAL ----- 12.68530595 2 2.88350001 -19.30258894 2 3.10769999 1.00217900 1 5.61220002 2.24534899 0 2.81459999 NE-ECP GEN 2 1 3 ----- P POTENTIAL ----- -1.05784200 2 16.20239997 -7.71812600 2 56.17350006 -1.57767500 1 170.70949936 4 ----- S-P POTENTIAL ----- 13.66500998 2 3.57620001 -21.93867993 2 3.88209999 0.92151100 1 6.98530000 2.28758100 0 3.48379999 NA-ECP GEN 2 1 3 ----- P POTENTIAL ----- -0.00010200 2 1.60680000 -1.71544300 2 22.52309990 -1.36191100 1 76.23649979 5 ----- S-P POTENTIAL ----- -14.53866100 2 2.47830001 31.91120791 2 3.09900001 -32.32224607 2 3.94710001 3.14094701 1 8.21659994 1.87765500 0 1.50080000 MG-ECP GEN 2 1 3 ----- P POTENTIAL ----- -0.00005300 2 1.13200000 -1.93249400 2 27.30570006 -1.39384700 1 93.30560017 5 ----- S-P POTENTIAL ----- -15.62671006 2 2.95159999 33.53119421 2 3.73249999 -36.07307196 2 4.81180000 3.12963399 1 9.91949999 1.93843301 0 1.81850000 AL-ECP GEN 10 2 4 ----- D POTENTIAL ----- -0.53798100 2 1.22110000 -5.45975602 2 3.36809999 -16.65534306 2 9.75000000 -6.47521502 1 29.26929998 5 ----- S-D POTENTIAL ----- -56.20521307 2 1.56310000 149.68995476 2 1.77120000 -91.45439434 2 2.06230000 3.72894901 1 3.35830000 3.03799400 0 2.13000000 5 ----- P-D POTENTIAL ----- 93.67560577 2 1.82310000 -189.88896751 2 2.12490001 110.24810410 2 2.57049999 4.19959599 1 1.75749999 5.00335598 0 6.76929998 SI-ECP GEN 10 2 4 ----- D POTENTIAL ----- -0.67587200 2 1.62109999 -6.72859800 2 4.53210002 -19.62386489 2 13.20760000 -6.58675301 1 39.96990013 5 ----- S-D POTENTIAL ----- -54.56442690 2 1.86890000 146.37274933 2 2.11390001 -88.33109474 2 2.45269999 6.76354098 1 3.88029999 3.11288401 0 2.56439999 5 ----- P-D POTENTIAL ----- 116.56166363 2 2.47999999 -224.59841347 2 2.97729999 138.22863007 2 3.77399999 2.85250399 1 5.56639999 5.07075799 0 10.31330001 P-ECP GEN 10 2 4 ----- D POTENTIAL ----- -0.86027200 2 2.10920000 -8.20137298 2 5.96789998 -22.87043905 2 17.52020001 -6.70789498 1 53.42819977 5 ----- S-D POTENTIAL ----- -58.04999590 2 2.28240001 161.87587929 2 2.62020001 -98.19643497 2 3.10800001 6.34047300 1 5.00660002 3.02931401 0 3.27329999 5 ----- P-D POTENTIAL ----- 127.97804737 2 3.10389999 -243.39212990 2 3.78320000 150.05020714 2 4.91720003 3.93873200 1 4.28490001 5.00513297 0 13.30770004 S-ECP GEN 10 2 4 ----- D POTENTIAL ----- -1.09096500 2 2.69159999 -9.88182199 2 7.70099998 -26.41339898 2 22.82830000 -6.83946300 1 70.11800003 5 ----- S-D POTENTIAL ----- -59.91221809 2 2.79040000 182.12236595 2 3.26820001 -115.52312756 2 3.99610001 5.37397599 1 6.41450000 2.95619199 0 4.27050000 5 ----- P-D POTENTIAL ----- -48.71918821 2 2.23629999 140.84932518 2 2.60190001 -100.90417099 2 3.14840001 4.19983298 1 5.23589998 4.77143699 0 3.34340000 CL-ECP GEN 10 2 4 ----- D POTENTIAL ----- -1.33688600 2 3.35940000 -11.74370098 2 9.73140001 -30.29555702 2 29.25079989 -6.98328000 1 90.54559994 5 ----- S-D POTENTIAL ----- -63.02188396 2 3.14739999 187.00407219 2 3.68259999 -114.41922283 2 4.48879999 7.64637101 1 7.18110001 2.99997699 0 4.77090001 5 ----- P-D POTENTIAL ----- -52.91793823 2 2.70510000 159.08480644 2 3.20280001 -118.43760872 2 3.98570001 5.19199800 1 6.57059997 4.67078602 0 4.28479999 AR-ECP GEN 10 2 4 ----- D POTENTIAL ----- -1.63101099 2 4.16430002 -13.63825095 2 12.05250001 -34.38315582 2 36.67759991 -7.13807201 1 114.51200008 5 ----- S-D POTENTIAL ----- 44.27679110 2 2.13659999 -119.46989155 2 2.42739999 107.43421745 2 2.96259999 1.31314400 1 2.01010001 3.35814700 0 11.53380001 5 ----- P-D POTENTIAL ----- -73.12434769 2 2.68390000 168.99321175 2 3.28560001 -117.48934937 2 4.10600001 3.61798900 1 7.93089998 4.84710997 0 1.48770000 K-ECP GEN 10 2 4 ----- D POTENTIAL ----- -1.96356797 2 4.99889994 -15.53031635 2 14.58220005 -38.57669830 2 44.89559937 -7.30101395 1 141.48350525 5 ----- S-D POTENTIAL ----- 33.92499542 2 2.41030002 -117.52191162 2 2.77449989 108.25654602 2 3.33690000 5.80375385 1 2.22169995 3.21023202 0 12.19449997 5 ----- P-D POTENTIAL ----- -69.97570801 2 3.15459990 178.15260315 2 4.03189993 -136.11946106 2 5.16720009 4.43228197 1 11.33360004 4.74835920 0 1.74329996 CA-ECP GEN 10 2 4 ----- D POTENTIAL ----- -2.26729298 2 5.92140007 -17.17546654 2 17.20369911 -42.60916519 2 53.37039948 -7.46766806 1 169.98489380 5 ----- S-D POTENTIAL ----- 29.85718918 2 2.68330002 -117.43736267 2 3.08299994 102.65641785 2 3.70659995 10.56573391 1 2.47650003 3.14651394 0 13.28890038 5 ----- P-D POTENTIAL ----- -77.17020416 2 3.47429991 180.64172363 2 4.38199997 -125.80883789 2 5.66209984 5.88094378 1 2.20009995 4.76948595 0 6.12169981 SC-ECP GEN 10 2 4 ----- D POTENTIAL ----- -2.56915808 2 6.93090010 -19.51248169 2 20.47940063 -47.74710464 2 64.68340302 -7.68808413 1 208.68989563 6 ----- S-D POTENTIAL ----- -26.87937546 2 2.16470003 86.15200806 2 2.51990008 -158.35868835 2 3.27999997 153.65249634 2 4.30459976 -0.10035100 1 6.17159987 3.41862202 0 15.90830040 6 ----- P-D POTENTIAL ----- 36.96915436 2 3.22720003 -117.41492462 2 3.82780004 213.54290771 2 5.22049999 -163.69456482 2 7.13719988 5.76216221 1 12.81589985 4.66992807 0 4.66620016 TI-ECP GEN 10 2 4 ----- D POTENTIAL ----- -2.92140889 2 8.02050018 -21.51072121 2 23.73159981 -53.50305176 2 76.42070007 -8.13299370 1 255.15179443 6 ----- S-D POTENTIAL ----- -51.37191772 2 2.09669995 113.32749939 2 2.54419994 -173.03866577 2 3.42569995 146.56672668 2 4.62150002 6.99775124 1 1.50059998 3.13227606 0 18.84980011 6 ----- P-D POTENTIAL ----- 32.56519318 2 3.53789997 -122.77304840 2 4.22800016 217.98690796 2 5.74259996 -168.72882080 2 7.77629995 5.54500103 1 11.05430031 4.74136782 0 3.26570010 V-ECP GEN 10 2 4 ----- D POTENTIAL ----- -3.13644791 2 8.96249962 -23.11002541 2 26.80929947 -57.05287170 2 86.54989624 -8.13861370 1 287.72830200 6 ----- S-D POTENTIAL ----- -46.46123505 2 2.22530007 98.90882874 2 2.78329992 -175.34150696 2 3.80530000 152.27613831 2 5.07000017 9.72578144 1 1.67320001 3.10772490 0 18.82760048 6 ----- P-D POTENTIAL ----- -17.85890961 2 2.21219993 58.30934525 2 2.62529993 -111.78504944 2 3.52760005 115.28333282 2 4.77939987 -5.63639116 1 8.18389988 5.50943995 0 17.38699913 CR-ECP GEN 10 2 4 ----- D POTENTIAL ----- -3.35951304 2 10.01910019 -24.58956909 2 29.92650032 -61.44187164 2 97.39040375 -8.37935352 1 329.05120850 6 ----- S-D POTENTIAL ----- -28.40607834 2 3.08360004 91.17616272 2 3.57769990 -171.88383484 2 4.65269995 181.42510986 2 6.15100002 10.19894505 1 23.50239944 3.05980206 0 20.16909981 6 ----- P-D POTENTIAL ----- -18.25805855 2 2.44000006 59.41814041 2 2.89219999 -113.84180450 2 3.88299990 117.49102783 2 5.25540018 -4.18536377 1 8.93529987 5.40804720 0 18.83979988 MN-ECP GEN 10 2 4 ----- D POTENTIAL ----- -3.68953991 2 11.27060032 -26.47902679 2 33.69400024 -66.81269073 2 110.90019989 -8.68252087 1 381.80200195 6 ----- S-D POTENTIAL ----- -28.53082275 2 3.39709997 91.91989136 2 3.94370008 -174.68742371 2 5.13509989 189.56167603 2 6.81869984 12.27451992 1 24.90229988 3.10475302 0 21.42359924 6 ----- P-D POTENTIAL ----- -18.95299530 2 2.69440007 61.78389740 2 3.18889999 -117.40400696 2 4.26399994 120.17333984 2 5.76149988 -2.76534510 1 9.85439968 5.31945705 0 20.32609940 FE-ECP GEN 10 2 4 ----- D POTENTIAL ----- -3.92273593 2 12.42240047 -28.14956284 2 37.31629944 -71.93667603 2 124.06909943 -8.99319363 1 435.19369507 6 ----- S-D POTENTIAL ----- -29.52211952 2 3.44029999 94.51435852 2 4.06059980 -185.51301575 2 5.46460009 213.25717163 2 7.53329992 1.00094295 1 4.66279984 3.35134506 0 28.74029922 6 ----- P-D POTENTIAL ----- -19.13289261 2 2.94460011 62.18554688 2 3.48340011 -118.63009644 2 4.66179991 122.39747620 2 6.30060005 -1.59960997 1 10.56540012 5.25198078 0 21.84390068 CO-ECP GEN 10 2 4 ----- D POTENTIAL ----- -4.21805000 2 13.73709965 -30.00989914 2 41.34360123 -77.76090240 2 139.10049438 -9.37224770 1 499.13769531 6 ----- S-D POTENTIAL ----- -30.76871681 2 3.74440002 96.04718781 2 4.40280008 -186.83770752 2 5.94509983 214.13160706 2 8.18770027 3.17480111 1 7.63889980 3.30929589 0 29.83790016 6 ----- P-D POTENTIAL ----- -28.57496452 2 2.91549993 90.32809448 2 3.64409995 -157.74783325 2 4.85970020 137.59988403 2 6.52129984 1.21656799 1 1.70739996 5.09922504 0 24.11779976 NI-ECP GEN 10 2 4 ----- D POTENTIAL ----- -4.43806982 2 14.88280010 -32.09807205 2 45.52199936 -84.09606934 2 155.59590149 -9.79445744 1 571.42022705 6 ----- S-D POTENTIAL ----- -48.54310989 2 3.39499998 106.50110626 2 4.34530020 -202.67271423 2 6.15019989 218.64447021 2 8.67730045 7.88036299 1 2.48749995 3.17160606 0 31.87439919 6 ----- P-D POTENTIAL ----- 54.26760101 2 4.04260015 1.34231699 2 1.78050005 -121.26470184 2 5.53210020 154.69761658 2 7.91690016 -6.76423597 1 2.22440004 5.44540691 0 30.32270050 CU-ECP GEN 10 2 4 ----- D POTENTIAL ----- -4.73227501 2 16.30159950 -34.06355667 2 49.98759842 -90.69224548 2 173.02969360 -10.26460838 1 651.10559082 6 ----- S-D POTENTIAL ----- -87.13957977 2 3.70869994 209.05120850 2 4.51280022 -202.30523682 2 5.53380013 154.84190369 2 10.20059967 9.21743488 1 2.66059995 3.18838096 0 32.17929840 6 ----- P-D POTENTIAL ----- -19.07518959 2 3.69499993 63.05695343 2 4.45380020 -127.18070221 2 6.17630005 158.41213989 2 8.83930016 -5.66128206 1 14.67029953 5.39882612 0 30.43350029 ZN-ECP GEN 10 2 4 ----- D POTENTIAL ----- -4.95285416 2 17.70450020 -35.81423950 2 54.37659836 -97.18619537 2 190.26429749 -10.75999069 1 733.55322266 6 ----- S-D POTENTIAL ----- -25.24020195 2 3.00970006 76.24803925 2 5.60309982 -184.65945435 2 6.86539984 185.51107788 2 10.42599964 14.91602993 1 2.56110001 3.06773496 0 36.70050049 6 ----- P-D POTENTIAL ----- -28.08492470 2 4.11560011 99.61754608 2 4.90450001 -140.06907654 2 6.25229979 151.88270569 2 9.47249985 -3.59432101 1 5.86420012 5.29285192 0 34.27420044 GA-ECP GEN 18 2 5 ----- D POTENTIAL ----- -0.77471000 2 0.97359997 -5.18385077 2 3.25300002 -16.36283493 2 9.12030029 -46.29306030 2 30.20359993 -12.36761570 1 87.78540039 6 ----- S-D POTENTIAL ----- 47.45992279 2 1.29789996 -133.31851196 2 1.46560001 198.61817932 2 1.80809999 -111.65273285 2 2.20980000 26.52990341 1 3.41070008 3.20841599 0 13.75800037 6 ----- P-D POTENTIAL ----- -22.17953682 2 1.60810006 116.83462524 2 1.83080006 -173.27267456 2 2.31450009 116.79779053 2 2.96409988 13.53756237 1 6.94740009 5.37063789 0 9.34539986 GE-ECP GEN 18 2 5 ----- D POTENTIAL ----- -1.40196705 2 1.35459995 -9.45403576 2 5.02229977 -23.62409592 2 15.32830048 -62.44671631 2 47.47309875 -12.96366024 1 136.24209595 6 ----- S-D POTENTIAL ----- -27.65140533 2 2.30509996 157.55535889 2 2.67100000 -208.90888977 2 3.49440002 146.75300598 2 4.66540003 26.79065895 1 14.92539978 2.94686103 0 44.04529953 6 ----- P-D POTENTIAL ----- -55.52495575 2 1.72140002 194.35308838 2 1.98930001 -249.20588684 2 2.55629992 154.47665405 2 3.29259992 13.02904606 1 8.26930046 5.37435579 0 10.14990044 AS-ECP GEN 18 2 5 ----- D POTENTIAL ----- -2.03465605 2 1.74109995 -13.08909798 2 6.73740005 -30.30925941 2 21.89489937 -73.83747101 2 63.28400040 -13.68201923 1 186.78129578 6 ----- S-D POTENTIAL ----- 34.11351776 2 1.60979998 -109.88148499 2 1.81799996 198.61093140 2 2.25640011 -128.75582886 2 2.81340003 32.51686478 1 3.85339999 3.33781409 0 16.49069977 6 ----- P-D POTENTIAL ----- -68.50337982 2 1.92700005 231.13151550 2 2.25600004 -286.99252319 2 2.96729994 179.05894470 2 3.93980002 12.12996483 1 11.13199997 5.37297487 0 11.22399998 SE-ECP GEN 18 2 5 ----- D POTENTIAL ----- -2.58638692 2 2.11820006 -15.59965801 2 8.24320030 -41.25695801 2 28.67779922 -98.63784790 2 93.85810089 -12.61432457 1 239.63980103 6 ----- S-D POTENTIAL ----- -76.46389771 2 2.58559990 269.16049194 2 3.04340005 -307.33093262 2 4.03289986 196.38562012 2 5.39890003 29.18940735 1 18.18700027 2.91098595 0 55.40280151 6 ----- P-D POTENTIAL ----- -72.78518677 2 2.16829991 252.06176758 2 2.57850003 -313.29913330 2 3.48589993 200.91072083 2 4.79790020 12.05568886 1 14.74899960 5.31686020 0 13.46450043 BR-ECP GEN 18 2 5 ----- D POTENTIAL ----- -3.20746708 2 2.54780006 -17.81955910 2 9.90429974 -41.36774826 2 32.94390106 -102.00952911 2 98.63279724 -13.96452522 1 287.78079224 6 ----- S-D POTENTIAL ----- 41.54266739 2 1.81379998 -130.86531067 2 2.07699990 229.11135864 2 2.65140009 -139.15881348 2 3.39140010 34.69166565 1 5.07940006 3.13891602 0 22.00860023 6 ----- P-D POTENTIAL ----- -68.31208801 2 2.34380007 236.41137695 2 2.78999996 -285.20968628 2 3.77500010 192.27485657 2 5.22399998 13.39648247 1 15.22420025 5.33779001 0 14.20930004 KR-ECP GEN 18 2 5 ----- D POTENTIAL ----- -3.98946905 2 3.05509996 -21.25818825 2 12.09599972 -50.23062134 2 41.91159821 -113.97364807 2 122.37729645 -14.67047119 1 363.47369385 6 ----- S-D POTENTIAL ----- -78.36124420 2 2.98720002 278.31964111 2 3.60640001 -296.60931396 2 4.98120022 197.15113831 2 7.04050016 13.34094238 1 22.72100067 3.35239601 0 21.71269989 6 ----- P-D POTENTIAL ----- -73.70785522 2 2.61249995 262.28320312 2 3.15750003 -317.21502686 2 4.38999987 218.15017700 2 6.30530024 13.32087612 1 19.63229942 5.26835585 0 17.43339920 RB-ECP GEN 28 3 5 ----- F POTENTIAL ----- -1.04400003 2 1.96459997 -12.26854706 2 5.02349997 -40.49360657 2 12.31190014 -92.10794830 2 39.43920136 -20.25083160 1 116.43070221 7 ----- S-F POTENTIAL ----- 50.81394196 2 2.29809999 -162.04731750 2 2.66269994 313.81082153 2 3.50929999 -309.75451660 2 4.96980000 216.07606506 2 6.94840002 20.86063194 1 17.70389938 3.36120105 0 25.66029930 7 ----- P-F POTENTIAL ----- 45.41232300 2 2.02160001 -145.47238159 2 2.33979988 283.18420410 2 3.07839990 -305.10214233 2 4.37570000 207.65396118 2 6.15859985 12.15985012 1 16.77890015 5.39989424 0 16.61680031 7 ----- D-F POTENTIAL ----- 31.68275070 2 1.23380005 -100.62529755 2 1.41939998 186.52160645 2 1.83389997 -239.76072693 2 2.54550004 170.19052124 2 3.47009993 9.91743755 1 10.62069988 7.41062880 0 9.28610039 SR-ECP GEN 28 3 5 ----- F POTENTIAL ----- -1.16187501 2 2.23399997 -13.37399960 2 5.67100000 -43.23659134 2 13.88179970 -100.09903717 2 44.81060028 -20.51813126 1 132.90260315 7 ----- S-F POTENTIAL ----- 53.58986664 2 2.44670010 -172.08218384 2 2.86780000 345.58593750 2 3.86610007 -351.22171021 2 5.66069984 257.34286499 2 8.30790043 12.91709232 1 23.49519920 6.33449411 0 21.03380013 7 ----- P-F POTENTIAL ----- 49.15122604 2 2.20950007 -158.82582092 2 2.58439994 320.08462524 2 3.46840000 -349.10769653 2 5.06430006 239.32991028 2 7.37960005 11.86419868 1 22.22710037 5.33859777 0 19.91810036 7 ----- D-F POTENTIAL ----- 32.67572403 2 1.40730000 -103.22133636 2 1.62419999 193.27650452 2 2.11750007 -248.63302612 2 2.97239995 183.39566040 2 4.11800003 10.14631939 1 12.52390003 7.38135815 0 10.88269997 Y-ECP GEN 28 3 5 ----- F POTENTIAL ----- -2.22248793 2 2.90050006 -23.57674599 2 7.94630003 -59.28044128 2 21.59399986 -164.74046326 2 78.34619904 -22.87406540 1 265.06298828 7 ----- S-F POTENTIAL ----- 55.64851379 2 2.68510008 -177.82318115 2 3.13739991 354.56311035 2 4.20650005 -340.00125122 2 6.10620022 239.03950500 2 8.79300022 14.65989113 1 26.35610008 3.39070010 0 26.61560059 7 ----- P-F POTENTIAL ----- 50.28510666 2 2.37949991 -160.27282715 2 2.77360010 317.67678833 2 3.70539999 -336.20748901 2 5.37099981 237.31672668 2 7.78319979 12.75121307 1 22.16099930 5.37008190 0 20.47360039 7 ----- D-F POTENTIAL ----- 33.29671097 2 1.58969998 -109.96274567 2 1.85490000 213.90904236 2 2.44250011 -273.61801147 2 3.47909999 207.30749512 2 4.95599985 10.78762054 1 15.23060036 7.32198191 0 13.37300015 ZR-ECP GEN 28 3 5 ----- F POTENTIAL ----- -0.27778301 2 1.96560001 -6.66180706 2 4.82639980 -38.94683075 2 12.26459980 -86.41357422 2 38.00030136 -20.21328354 1 114.34359741 7 ----- S-F POTENTIAL ----- 51.15351486 2 2.70860004 -166.17219543 2 3.23639989 354.62121582 2 4.53420019 -347.42883301 2 6.97310019 262.91113281 2 10.91759968 44.85594177 1 42.70869827 2.81595111 0 158.05920410 7 ----- P-F POTENTIAL ----- 53.14321518 2 2.57399988 -172.25927734 2 3.03749990 357.74844360 2 4.15030003 -387.61001587 2 6.21470022 275.60794067 2 9.40369987 12.65426922 1 29.28240013 5.28926516 0 25.48209953 7 ----- D-F POTENTIAL ----- 35.59209442 2 1.78410006 -115.19468689 2 2.08969998 225.52505493 2 2.79329991 -291.76715088 2 4.06930017 232.36845398 2 5.94059992 11.23965740 1 18.74440002 7.27583790 0 16.13680077 NB-ECP GEN 28 3 5 ----- F POTENTIAL ----- -2.12992907 2 3.44460011 -22.97262573 2 9.11340046 -56.91117859 2 22.98679924 -145.99894714 2 76.26629639 -21.96123505 1 234.28889465 7 ----- S-F POTENTIAL ----- 51.21849060 2 2.88310003 -165.87748718 2 3.43950009 353.43283081 2 4.80849981 -339.01223755 2 7.36780024 273.15057373 2 11.54769993 19.10134315 1 37.81430054 3.36632800 0 33.57780075 7 ----- P-F POTENTIAL ----- 52.35134125 2 2.75320005 -168.72013855 2 3.24040008 349.30529785 2 4.41370010 -368.03564453 2 6.57270002 271.09564209 2 9.91119957 13.24002266 1 29.60670090 5.32180595 0 25.94729996 7 ----- D-F POTENTIAL ----- 34.02252197 2 1.90470004 -109.34761810 2 2.22099996 211.43179321 2 2.94840002 -270.02197266 2 4.25290012 220.20515442 2 6.14580011 11.01616001 1 18.43989944 7.31999588 0 15.86740017 MO-ECP GEN 28 3 5 ----- F POTENTIAL ----- -2.39912391 2 3.86059999 -26.34414482 2 10.36299992 -62.09140015 2 26.72909927 -163.40112305 2 89.23100281 -22.59148788 1 279.54220581 7 ----- S-F POTENTIAL ----- 48.17292404 2 2.99819994 -156.71144104 2 3.58340001 332.59915161 2 5.01289988 -312.30667114 2 7.67030001 157.88722229 2 11.45119953 29.96883774 1 9.75979996 3.41751909 0 37.12519836 7 ----- P-F POTENTIAL ----- 50.96643829 2 2.94350004 -164.71308899 2 3.45880008 342.27224731 2 4.69640017 -351.59188843 2 6.96299982 269.40219116 2 10.48050022 14.04963779 1 29.96489906 5.35105991 0 26.68639946 7 ----- D-F POTENTIAL ----- 36.05135727 2 2.12299991 -117.10117340 2 2.49699998 232.92193604 2 3.36770010 -297.79098511 2 4.96120024 252.18852234 2 7.39949989 11.67608738 1 22.86809921 7.26251984 0 19.53870010 TC-ECP GEN 28 3 5 ----- F POTENTIAL ----- -2.68787909 2 4.28879976 -28.78056145 2 11.57050037 -64.90345001 2 29.77589989 -172.06602478 2 98.04190063 -22.93936157 1 307.48928833 7 ----- S-F POTENTIAL ----- -27.43015671 2 2.15630007 89.00428009 2 2.51180005 -170.35900879 2 3.30170012 284.85977173 2 4.74079990 -137.86445618 2 6.52559996 20.88568306 1 10.52480030 3.27177596 0 7.10739994 7 ----- P-F POTENTIAL ----- 52.82186508 2 3.08780003 -173.63539124 2 3.68630004 377.18582153 2 5.14750004 -400.31878662 2 7.94019985 238.46206665 2 12.23849964 17.92267990 1 10.65450001 5.26544809 0 35.27830124 7 ----- D-F POTENTIAL ----- 38.29109192 2 2.34229994 -125.35187531 2 2.78130007 257.23062134 2 3.82170010 -330.65811157 2 5.76849985 291.91574097 2 8.93659973 12.69731045 1 28.75009918 7.19261312 0 24.47260094 RU-ECP GEN 28 3 5 ----- F POTENTIAL ----- -3.01680589 2 4.78420019 -32.88051987 2 13.04769993 -73.65652466 2 35.18500137 -202.19105530 2 119.48639679 -24.11733246 1 392.59069824 7 ----- S-F POTENTIAL ----- -29.59748840 2 2.42680001 95.84513855 2 2.81320000 -184.26242065 2 3.67639995 326.30468750 2 5.28630018 -191.65345764 2 7.51270008 49.91513824 1 11.46560001 2.90960789 0 56.84280014 7 ----- P-F POTENTIAL ----- -24.95108986 2 2.04450011 86.32252502 2 2.42230010 -172.20999146 2 3.22399998 306.91882324 2 4.73470020 -195.84736633 2 6.77710009 16.67239571 1 11.11660004 5.11160898 0 7.63590002 7 ----- D-F POTENTIAL ----- 37.18661118 2 2.49099994 -121.85943604 2 2.94939995 248.04385376 2 4.02759981 -313.83843994 2 6.02890015 282.90338135 2 9.24909973 12.31614971 1 28.46680069 7.23575020 0 24.18630028 RH-ECP GEN 28 3 5 ----- F POTENTIAL ----- -3.34650707 2 5.26849985 -36.27990723 2 14.52709961 -79.27825165 2 39.89099884 -219.38746643 2 135.15080261 -24.89464378 1 451.73019409 7 ----- S-F POTENTIAL ----- -26.99048614 2 2.33960009 88.46970367 2 2.77189994 -175.11592102 2 3.75909996 340.60363770 2 5.70620012 -223.21163940 2 8.72089958 47.58080292 1 13.09829998 2.79638195 0 91.69550323 7 ----- P-F POTENTIAL ----- -22.92908096 2 2.27749991 84.58609009 2 2.70799994 -171.19743347 2 3.56419992 316.75189209 2 5.25099993 -225.04205322 2 7.78830004 49.74481964 1 11.98419952 4.39694500 0 70.47000122 7 ----- D-F POTENTIAL ----- 40.01486969 2 2.72009993 -131.79638672 2 3.25489998 277.17028809 2 4.54110003 -353.21633911 2 6.98999977 332.40838623 2 11.21280003 13.58090496 1 36.28559875 7.15987301 0 30.69669914 PD-ECP GEN 28 3 5 ----- F POTENTIAL ----- -3.67986703 2 5.79349995 -39.08115387 2 15.97259998 -84.86928558 2 44.46939850 -237.43994141 2 151.29159546 -25.76420593 1 516.64819336 7 ----- S-F POTENTIAL ----- -27.05408478 2 2.48130012 88.65593719 2 2.93619990 -175.50939941 2 3.97420001 342.64071655 2 6.02339983 -222.09843445 2 9.19719982 51.81674576 1 13.76439953 2.82314610 0 89.98899841 7 ----- P-F POTENTIAL ----- -28.74325180 2 2.39150000 94.62859344 2 2.83590007 -189.17919922 2 3.84990001 380.36779785 2 5.86049986 -312.48147583 2 9.15100002 56.35126877 1 13.94559956 4.31076288 0 101.21410370 7 ----- D-F POTENTIAL ----- 39.28127670 2 2.88260007 -129.23152161 2 3.44020009 269.75354004 2 4.77540016 -337.91909790 2 7.29589987 324.82962036 2 11.60599995 13.18474102 1 36.10689926 7.19891405 0 30.47970009 AG-ECP GEN 28 3 5 ----- F POTENTIAL ----- -3.58370399 2 6.26410007 -41.52972031 2 17.34429932 -90.43763733 2 49.05220032 -254.95243835 2 167.69929504 -26.65418816 1 583.98468018 7 ----- S-F POTENTIAL ----- -27.86531448 2 2.66310000 89.86640167 2 3.13039994 -176.23782349 2 4.20359993 323.62954712 2 6.23330021 -149.80087280 2 8.93859959 18.86888504 1 14.17240047 3.26756096 0 9.84739971 7 ----- P-F POTENTIAL ----- -27.75139236 2 2.52550006 94.34455872 2 3.00219989 -187.94503784 2 4.04619980 377.22006226 2 6.16489983 -298.96502686 2 9.54640007 56.06618118 1 14.71339989 4.33762121 0 99.15979767 7 ----- D-F POTENTIAL ----- 38.58859253 2 3.03929996 -126.88704681 2 3.62039995 263.18853760 2 5.00589991 -325.30596924 2 7.60449982 319.68847656 2 12.02890015 12.95428467 1 36.31949997 7.22897387 0 30.56290054 CD-ECP GEN 28 3 5 ----- F POTENTIAL ----- -4.22736502 2 6.88749981 -45.16851807 2 19.10289955 -97.85390472 2 55.09080124 -277.36898804 2 189.13699341 -27.82247353 1 674.74859619 7 ----- S-F POTENTIAL ----- -29.60593224 2 2.95350003 96.45623016 2 3.45910001 -189.33224487 2 4.60519981 365.01492310 2 6.83580017 -208.19114685 2 10.11009979 50.42354965 1 15.29839993 2.75293803 0 97.10109711 7 ----- P-F POTENTIAL ----- -27.20086288 2 2.53099990 90.01723480 2 3.00780010 -179.77046204 2 4.08690023 347.07955933 2 6.19070005 -229.02343750 2 9.26280022 19.48693848 1 14.80700016 5.02399683 0 10.56299973 7 ----- D-F POTENTIAL ----- 40.55107880 2 3.22659993 -133.15621948 2 3.89599991 284.73294067 2 5.54120016 -357.67636108 2 8.73200035 299.06478882 2 14.25979996 17.66106606 1 12.15629959 7.21160984 0 40.44020081 IN-ECP GEN 36 3 4 ----- F POTENTIAL ----- -1.94056201 2 1.34599996 -11.47955036 2 3.56830001 -53.80504227 2 14.11800003 -22.34759712 1 41.56969833 6 ----- S-F POTENTIAL ----- 0.07365500 2 0.19520000 -59.16038895 2 1.17530000 180.88560486 2 1.40520000 -114.79077148 2 1.70469999 15.04667282 1 2.88599992 6.86890602 0 4.41620016 6 ----- P-F POTENTIAL ----- -75.74547577 2 0.82660002 171.16397095 2 1.04190004 -196.06549072 2 1.35699999 87.76480865 2 1.70620000 24.37946129 1 0.60479999 5.66978121 0 7.74840021 6 ----- D-F POTENTIAL ----- -1.61824703 2 0.82840002 2.52116203 2 1.47130001 -42.73102570 2 2.41720009 41.48542786 2 3.16120005 8.59886932 1 1.45360005 7.80331993 0 13.23980045 SN-ECP GEN 36 3 4 ----- F POTENTIAL ----- -2.08150506 2 1.49080002 -12.32594395 2 3.96700001 -58.33305359 2 15.61760044 -22.59982109 1 46.37760162 6 ----- S-F POTENTIAL ----- 4.67122316 2 0.87500000 -101.40917206 2 1.07930005 153.43458557 2 1.31959999 -99.63557434 2 1.61670005 42.69211578 1 0.89330000 3.70672011 0 13.34959984 6 ----- P-F POTENTIAL ----- -89.44316101 2 0.93419999 188.95716858 2 1.16709995 -210.16172791 2 1.57159996 98.57840729 2 1.99930000 24.45154953 1 0.67259997 5.68232679 0 8.51509953 6 ----- D-F POTENTIAL ----- -20.61536407 2 1.23920000 39.18358994 2 1.67750001 -76.06874084 2 2.41880012 59.03364944 2 3.30940008 8.33738613 1 1.00779998 7.81764507 0 14.44050026 SB-ECP GEN 36 3 4 ----- F POTENTIAL ----- -2.23113608 2 1.64499998 -13.31894398 2 4.41020012 -63.36921310 2 17.29479980 -22.87770844 1 51.86349869 6 ----- S-F POTENTIAL ----- -91.23473358 2 1.32270002 234.76853943 2 1.76600003 -302.15496826 2 2.47189999 153.18350220 2 3.24390006 25.74815941 1 0.97100002 6.54234791 0 11.29850006 6 ----- P-F POTENTIAL ----- 29.66554260 2 0.75700003 -90.75620270 2 0.87760001 147.41183472 2 1.12709999 -87.66103363 2 1.42659998 10.96317959 1 1.98370004 6.60084820 0 1.52310002 6 ----- D-F POTENTIAL ----- -27.32286644 2 1.68490005 70.00717926 2 2.05110002 -102.09190369 2 2.84559989 90.42972565 2 3.94829988 0.34869000 1 6.62400007 8.32599354 0 14.89630032 TE-ECP GEN 36 3 4 ----- F POTENTIAL ----- -2.38358688 2 1.81439996 -14.21988106 2 4.86980009 -67.92436981 2 18.94720078 -23.13225365 1 57.30979919 6 ----- S-F POTENTIAL ----- -117.50439453 2 1.33440006 161.63246155 2 1.62170005 -120.28221893 2 2.21479988 25.30402184 2 3.17429996 49.01689529 1 1.07500005 5.21098709 0 16.05739975 6 ----- P-F POTENTIAL ----- 33.98709869 2 0.86379999 -106.35176849 2 1.00119996 178.77839661 2 1.28160000 -110.42464447 2 1.62300003 29.88292694 1 2.40730000 5.44751978 0 12.56849957 6 ----- D-F POTENTIAL ----- -25.48574638 2 1.86860001 65.04901886 2 2.25830007 -95.47418976 2 3.07999992 84.64656830 2 4.19910002 2.66751909 1 7.17479992 8.15157413 0 15.52460003 I-ECP GEN 36 3 4 ----- F POTENTIAL ----- -2.60678697 2 2.00659990 -15.30154037 2 5.41200018 -73.32185364 2 20.88789940 -23.43061638 1 63.82109833 6 ----- S-F POTENTIAL ----- -144.29801941 2 1.53009999 252.49822998 2 1.85660005 -200.15640259 2 2.58430004 85.98131561 2 3.75419998 32.24239349 1 1.13870001 6.45168209 0 12.47010040 6 ----- P-F POTENTIAL ----- 32.43734360 2 0.91109997 -101.57602692 2 1.06579995 169.25859070 2 1.38989997 -105.27653503 2 1.79579997 12.12060356 1 2.54789996 6.45733500 0 1.17250001 6 ----- D-F POTENTIAL ----- 3.41730189 2 0.86530000 -3.97894001 2 0.89960003 -37.31042862 2 4.58720016 77.44996643 2 5.52820015 18.01509857 1 22.20800018 6.86909294 0 19.14010048 XE-ECP GEN 36 3 4 ----- F POTENTIAL ----- -2.98907089 2 2.24699998 -16.86190414 2 6.12760019 -80.85955811 2 23.48080063 -23.83045006 1 72.73519897 6 ----- S-F POTENTIAL ----- 36.93946457 2 1.24269998 -117.99051666 2 1.45309997 217.58146667 2 1.92760003 -132.93127441 2 2.56839991 13.86918831 1 3.60890007 7.20968485 0 2.81739998 6 ----- P-F POTENTIAL ----- 38.26582718 2 1.02950001 -120.96846008 2 1.20910001 217.59863281 2 1.59679997 -144.18939209 2 2.10870004 33.80591965 1 3.15689993 5.23532295 0 17.37170029 6 ----- D-F POTENTIAL ----- -17.56745148 2 2.25279999 46.21330261 2 2.73140001 -80.85101318 2 3.76239991 97.02409363 2 5.32089996 -0.88147599 1 8.73659992 8.33844185 0 18.91500092 CS-ECP GEN 46 3 5 ----- F POTENTIAL ----- -0.78916699 2 0.93849999 -8.42115784 2 2.31629992 -30.98544312 2 6.00729990 -95.03477478 2 20.37969971 -30.07960320 1 59.32889938 7 ----- S-F POTENTIAL ----- 42.85466766 2 1.38530004 -138.00901794 2 1.63240004 275.99960327 2 2.20580006 -280.45663452 2 3.22149992 199.82038879 2 4.64960003 27.73096657 1 15.15250015 3.76870608 0 19.00049973 7 ----- P-F POTENTIAL ----- 48.66250992 2 1.25950003 -145.70526123 2 1.44169998 264.46368408 2 1.87639999 -279.85159302 2 2.65750003 184.35585022 2 3.63870001 23.30001831 1 10.65320015 5.76792908 0 14.68060017 7 ----- D-F POTENTIAL ----- 34.86072540 2 0.76810002 -106.79302979 2 0.87459999 188.23532104 2 1.10769999 -217.63992310 2 1.48230004 137.74559021 2 1.92019999 34.42418671 1 6.21829987 7.19875193 0 17.38809967 BA-ECP GEN 46 3 5 ----- F POTENTIAL ----- -0.88013703 2 0.97610003 -10.01861763 2 2.66910005 -35.70346451 2 7.10550022 -114.57715607 2 24.84989929 -30.99500656 1 75.09850311 7 ----- S-F POTENTIAL ----- 52.18550110 2 1.51549995 -166.64633179 2 1.80079997 336.98910522 2 2.46210003 -346.60510254 2 3.64910007 229.66429138 2 5.34859991 20.49417496 1 17.15789986 6.64949989 0 16.02389908 7 ----- P-F POTENTIAL ----- 61.51347351 2 1.35119998 -171.17402649 2 1.55149996 303.61636353 2 2.06870008 -324.12673950 2 3.00740004 210.71342468 2 4.23050022 19.11876488 1 14.21850014 5.84502220 0 13.10439968 7 ----- D-F POTENTIAL ----- 34.92659378 2 0.89740002 -109.23178864 2 1.02090001 196.23254395 2 1.28859997 -224.63766479 2 1.73850000 146.97143555 2 2.28509998 37.01747894 1 7.33769989 7.09744883 0 20.39410019 LA-ECP GEN 46 3 5 ----- F POTENTIAL ----- -1.78271198 2 1.30850005 -15.01564884 2 3.59450006 -42.60580063 2 9.54290009 -141.34611511 2 32.37649918 -32.09997559 1 100.62180328 7 ----- S-F POTENTIAL ----- 57.45276260 2 1.63999999 -178.51110840 2 1.92739999 348.32040405 2 2.60120010 -348.10836792 2 3.80599999 238.82337952 2 5.52479982 21.93246651 1 17.20549965 6.68807220 0 16.66570091 7 ----- P-F POTENTIAL ----- 48.54993820 2 1.37989998 -154.24778748 2 1.62790000 313.21530151 2 2.21709990 -352.77603149 2 3.29920006 255.42198181 2 4.93240023 20.53687859 1 16.82349968 8.26657486 0 14.97049999 7 ----- D-F POTENTIAL ----- 37.32484817 2 0.94440001 -117.13645172 2 1.08879995 216.44523621 2 1.40939999 -252.23069763 2 1.94959998 168.61718750 2 2.63579988 41.21611023 1 9.00669956 6.93647718 0 25.81089973 CE-ECP GEN 54 3 6 ----- F POTENTIAL ----- -0.31545401 2 0.18850000 -4.03798485 2 0.69250000 -20.49917410 2 2.45420003 -81.90377040 2 9.75559997 -294.86666900 2 50.36529920 -30.30850030 1 141.28579700 8 ----- S-F POTENTIAL ----- 87.62731930 2 0.62040001 -175.92492700 2 0.75950003 173.75613400 2 1.04569995 -118.99214900 2 1.52219999 80.98940270 2 2.23819995 -2.07819796 2 8.08870029 36.81498720 1 6.39750004 6.47752524 0 17.84670070 8 ----- P-F POTENTIAL ----- 73.16195680 2 0.48100001 -98.24731440 2 0.54939997 47.34008030 2 0.83929998 -20.87126540 2 1.63699997 44.86721040 2 2.63610005 18.21543310 2 5.01919985 37.83178710 1 8.89319992 5.46868611 0 24.34210010 8 ----- D-F POTENTIAL ----- -0.01027300 2 0.08600000 -2.24907804 2 0.84719998 -0.02766900 2 0.17870000 98.89129640 2 1.88349998 -233.11683700 2 2.53220010 202.36198400 2 3.19779992 45.45883560 1 10.85770040 6.81029177 0 31.21439930 PR-ECP GEN 54 3 6 ----- F POTENTIAL ----- -0.28507000 2 0.18340001 -3.78517199 2 0.68919998 -19.60263440 2 2.42919993 -80.29591370 2 9.65989971 -304.50256400 2 50.57759860 -35.10055160 1 170.35189800 8 ----- S-F POTENTIAL ----- 14.95254990 2 0.50809997 -43.42506030 2 0.82110000 73.12426760 2 1.07540000 -57.31110000 2 1.57959998 53.03722380 2 2.12700009 50.96369170 2 5.46960020 32.92785650 1 10.89529990 4.06864691 0 21.70459940 8 ----- P-F POTENTIAL ----- 53.97642520 2 0.50430000 -116.57189900 2 0.64709997 126.61888900 2 0.90820003 -89.15218350 2 1.32930005 62.60961530 2 1.97520006 -36.40468220 2 6.69859982 46.55743030 1 5.61110020 5.11101008 0 24.73170090 8 ----- D-F POTENTIAL ----- -0.03509900 2 0.15080000 4.50882912 2 0.98780000 -52.60649110 2 1.27530003 153.83320600 2 1.64900005 -194.82063300 2 2.35910010 152.34256000 2 3.32590008 22.06917950 1 8.52200031 7.82782602 0 12.37780000 ND-ECP GEN 54 3 6 ----- F POTENTIAL ----- -0.27911800 2 0.18470000 -3.64531303 2 0.69959998 -18.82904430 2 2.42899990 -78.47742460 2 9.59739971 -294.55139200 2 49.50849920 -36.00532530 1 169.03700300 8 ----- S-F POTENTIAL ----- 10.78615860 2 0.49700001 -32.80133440 2 0.91939998 64.46156310 2 1.18159997 -37.78273010 2 1.66310000 34.32389070 2 2.40739989 40.26707840 2 4.56169987 36.91546250 1 9.25269985 4.29324913 0 21.05220030 8 ----- P-F POTENTIAL ----- 42.02197270 2 0.50430000 -91.85214230 2 0.66560000 96.88398740 2 0.92790002 -43.81736380 2 1.31359994 43.62885670 2 2.66960001 6.82531881 2 4.85360003 37.60051350 1 7.76230002 5.58739185 0 23.10460090 8 ----- D-F POTENTIAL ----- -0.00342300 2 0.07540000 -0.05969700 2 0.27680001 -29.56184010 2 1.41349995 153.39161700 2 1.88569999 -240.44110100 2 2.57579994 188.30503800 2 3.49640012 47.79472730 1 11.78209970 6.79056502 0 34.12229920 PROMETHEUM ! (6s,6p,6d,6f) S 1 1 2.348000000 1.000000000 S 1 1 0.3778000000 1.000000000 S 1 1 0.3058000000 1.000000000 S 1 1 0.5544000000E-01 1.000000000 S 1 1 0.2768000000E-01 1.000000000 S 1 1 0.1435000000E-01 1.000000000 P 1 1 2.419000000 1.000000000 P 1 1 0.3014000000 1.000000000 P 1 1 0.1093000000 1.000000000 P 1 1 0.4663000000E-01 1.000000000 P 1 1 0.1713000000E-01 1.000000000 P 1 1 0.9815000000E-02 1.000000000 D 1 1 4.267000000 1.000000000 D 1 1 0.6316000000 1.000000000 D 1 1 0.2996000000 1.000000000 D 1 1 0.1536000000 1.000000000 D 1 1 0.7247000000E-01 1.000000000 D 1 1 0.3175000000E-01 1.000000000 F 1 1 70.81000000 1.000000000 F 1 1 23.13000000 1.000000000 F 1 1 9.196000000 1.000000000 F 1 1 3.641000000 1.000000000 F 1 1 1.402000000 1.000000000 F 1 1 0.4748000000 1.000000000 SAMARIUM ! (6s,6p,6d,6f) S 1 1 21.59000000 1.000000000 S 1 1 0.3692000000 1.000000000 S 1 1 0.2862000000 1.000000000 S 1 1 0.1221000000 1.000000000 S 1 1 0.4462000000E-01 1.000000000 S 1 1 0.1936000000E-01 1.000000000 P 1 1 2.733000000 1.000000000 P 1 1 0.2053000000 1.000000000 P 1 1 0.1191000000 1.000000000 P 1 1 0.4837000000E-01 1.000000000 P 1 1 0.2887000000E-01 1.000000000 P 1 1 0.1654000000E-01 1.000000000 D 1 1 4.273000000 1.000000000 D 1 1 0.6648000000 1.000000000 D 1 1 0.3131000000 1.000000000 D 1 1 0.1585000000 1.000000000 D 1 1 0.7558000000E-01 1.000000000 D 1 1 0.3381000000E-01 1.000000000 F 1 1 76.00000000 1.000000000 F 1 1 25.72000000 1.000000000 F 1 1 10.26000000 1.000000000 F 1 1 4.129000000 1.000000000 F 1 1 1.630000000 1.000000000 F 1 1 0.5688000000 1.000000000 EUROPIUM ! (6s,6p,6d,6f) S 1 1 16.48000000 1.000000000 S 1 1 0.4074000000 1.000000000 S 1 1 0.2855000000 1.000000000 S 1 1 0.1213000000 1.000000000 S 1 1 0.4533000000E-01 1.000000000 S 1 1 0.1963000000E-01 1.000000000 P 1 1 2.817000000 1.000000000 P 1 1 0.2188000000 1.000000000 P 1 1 0.1140000000 1.000000000 P 1 1 0.4748000000E-01 1.000000000 P 1 1 0.2404000000E-01 1.000000000 P 1 1 0.1270000000E-01 1.000000000 D 1 1 4.829000000 1.000000000 D 1 1 0.6861000000 1.000000000 D 1 1 0.3226000000 1.000000000 D 1 1 0.1630000000 1.000000000 D 1 1 0.7650000000E-01 1.000000000 D 1 1 0.3366000000E-01 1.000000000 F 1 1 74.34000000 1.000000000 F 1 1 24.39000000 1.000000000 F 1 1 9.655000000 1.000000000 F 1 1 3.785000000 1.000000000 F 1 1 1.425000000 1.000000000 F 1 1 0.4641000000 1.000000000 GADOLINIUM ! (6s,6p,6d,6f) S 1 1 17.40000000 1.000000000 S 1 1 0.4215000000 1.000000000 S 1 1 0.2946000000 1.000000000 S 1 1 0.1237000000 1.000000000 S 1 1 0.4647000000E-01 1.000000000 S 1 1 0.2004000000E-01 1.000000000 P 1 1 2.813000000 1.000000000 P 1 1 0.1974000000 1.000000000 P 1 1 0.1504000000 1.000000000 P 1 1 0.6406000000E-01 1.000000000 P 1 1 0.4367000000E-01 1.000000000 P 1 1 0.1991000000E-01 1.000000000 D 1 1 4.862000000 1.000000000 D 1 1 0.7236000000 1.000000000 D 1 1 0.3426000000 1.000000000 D 1 1 0.1702000000 1.000000000 D 1 1 0.7855000000E-01 1.000000000 D 1 1 0.3428000000E-01 1.000000000 F 1 1 79.03000000 1.000000000 F 1 1 25.73000000 1.000000000 F 1 1 10.19000000 1.000000000 F 1 1 3.986000000 1.000000000 F 1 1 1.493000000 1.000000000 F 1 1 0.4816000000 1.000000000 TERBIUM ! (6s,6p,6d,6f) S 1 1 17.55000000 1.000000000 S 1 1 0.6583000000 1.000000000 S 1 1 0.2507000000 1.000000000 S 1 1 0.1322000000 1.000000000 S 1 1 0.4732000000E-01 1.000000000 S 1 1 0.2214000000E-01 1.000000000 P 1 1 2.796000000 1.000000000 P 1 1 0.2043000000 1.000000000 P 1 1 0.1503000000 1.000000000 P 1 1 0.6517000000E-01 1.000000000 P 1 1 0.4199000000E-01 1.000000000 P 1 1 0.1956000000E-01 1.000000000 D 1 1 4.997000000 1.000000000 D 1 1 0.7526000000 1.000000000 D 1 1 0.3470000000 1.000000000 D 1 1 0.1721000000 1.000000000 D 1 1 0.8111000000E-01 1.000000000 D 1 1 0.3603000000E-01 1.000000000 F 1 1 85.79000000 1.000000000 F 1 1 27.76000000 1.000000000 F 1 1 10.98000000 1.000000000 F 1 1 4.279000000 1.000000000 F 1 1 1.592000000 1.000000000 F 1 1 0.5063000000 1.000000000 DYSPROSIUM ! (6s,6p,6d,6f) S 1 1 14.89000000 1.000000000 S 1 1 0.8004000000 1.000000000 S 1 1 0.2464000000 1.000000000 S 1 1 0.1324000000 1.000000000 S 1 1 0.4720000000E-01 1.000000000 S 1 1 0.2296000000E-01 1.000000000 P 1 1 4.857000000 1.000000000 P 1 1 0.2386000000 1.000000000 P 1 1 0.1759000000 1.000000000 P 1 1 0.7296000000E-01 1.000000000 P 1 1 0.2989000000E-01 1.000000000 P 1 1 0.7500000000E-02 1.000000000 D 1 1 5.930000000 1.000000000 D 1 1 0.8184000000 1.000000000 D 1 1 0.3938000000 1.000000000 D 1 1 0.1862000000 1.000000000 D 1 1 0.7982000000E-01 1.000000000 D 1 1 0.2956000000E-01 1.000000000 F 1 1 91.06000000 1.000000000 F 1 1 30.88000000 1.000000000 F 1 1 11.79000000 1.000000000 F 1 1 4.581000000 1.000000000 F 1 1 1.702000000 1.000000000 F 1 1 0.5375000000 1.000000000 HOLMIUM ! (6s,6p,6d,6f) S 1 1 11.07000000 1.000000000 S 1 1 0.4329000000 1.000000000 S 1 1 0.3406000000 1.000000000 S 1 1 0.1436000000 1.000000000 S 1 1 0.4786000000E-01 1.000000000 S 1 1 0.1916000000E-01 1.000000000 P 1 1 2.584000000 1.000000000 P 1 1 0.5200000000 1.000000000 P 1 1 0.2019000000 1.000000000 P 1 1 0.7589000000E-01 1.000000000 P 1 1 0.2706000000E-01 1.000000000 P 1 1 0.7198000000E-02 1.000000000 D 1 1 5.368000000 1.000000000 D 1 1 0.8922000000 1.000000000 D 1 1 0.3919000000 1.000000000 D 1 1 0.1863000000 1.000000000 D 1 1 0.8271000000E-01 1.000000000 D 1 1 0.3054000000E-01 1.000000000 F 1 1 101.6000000 1.000000000 F 1 1 34.38000000 1.000000000 F 1 1 12.94000000 1.000000000 F 1 1 5.041000000 1.000000000 F 1 1 1.875000000 1.000000000 F 1 1 0.5896000000 1.000000000 ERBIUM ! (6s,6p,6d,6f) S 1 1 18.09000000 1.000000000 S 1 1 0.5156000000 1.000000000 S 1 1 0.3522000000 1.000000000 S 1 1 0.7469000000E-01 1.000000000 S 1 1 0.3487000000E-01 1.000000000 S 1 1 0.1633000000E-01 1.000000000 P 1 1 2.437000000 1.000000000 P 1 1 0.2513000000 1.000000000 P 1 1 0.1799000000 1.000000000 P 1 1 0.7137000000E-01 1.000000000 P 1 1 0.3459000000E-01 1.000000000 P 1 1 0.1659000000E-01 1.000000000 D 1 1 6.331000000 1.000000000 D 1 1 0.8450000000 1.000000000 D 1 1 0.3822000000 1.000000000 D 1 1 0.1807000000 1.000000000 D 1 1 0.8295000000E-01 1.000000000 D 1 1 0.3614000000E-01 1.000000000 F 1 1 104.5000000 1.000000000 F 1 1 35.88000000 1.000000000 F 1 1 13.55000000 1.000000000 F 1 1 5.326000000 1.000000000 F 1 1 1.979000000 1.000000000 F 1 1 0.6187000000 1.000000000 THULIUM ! (6s,6p,6d,6f) S 1 1 13.25000000 1.000000000 S 1 1 0.5350000000 1.000000000 S 1 1 0.3677000000 1.000000000 S 1 1 0.7395000000E-01 1.000000000 S 1 1 0.3456000000E-01 1.000000000 S 1 1 0.1659000000E-01 1.000000000 P 1 1 2.404000000 1.000000000 P 1 1 0.2581000000 1.000000000 P 1 1 0.1840000000 1.000000000 P 1 1 0.7136000000E-01 1.000000000 P 1 1 0.3456000000E-01 1.000000000 P 1 1 0.1635000000E-01 1.000000000 D 1 1 6.484000000 1.000000000 D 1 1 0.8741000000 1.000000000 D 1 1 0.3826000000 1.000000000 D 1 1 0.1797000000 1.000000000 D 1 1 0.8604000000E-01 1.000000000 D 1 1 0.3834000000E-01 1.000000000 F 1 1 106.5000000 1.000000000 F 1 1 35.69000000 1.000000000 F 1 1 13.54000000 1.000000000 F 1 1 5.299000000 1.000000000 F 1 1 1.970000000 1.000000000 F 1 1 0.6162000000 1.000000000 YTTERBIUM ! (6s,6p,6d,6f) S 1 1 15.01000000 1.000000000 S 1 1 0.4727000000 1.000000000 S 1 1 0.3908000000 1.000000000 S 1 1 0.1131000000 1.000000000 S 1 1 0.4367000000E-01 1.000000000 S 1 1 0.1503000000E-01 1.000000000 P 1 1 1.425000000 1.000000000 P 1 1 0.2992000000 1.000000000 P 1 1 0.2278000000 1.000000000 P 1 1 0.8319000000E-01 1.000000000 P 1 1 0.2904000000E-01 1.000000000 P 1 1 0.7290000000E-01 1.000000000 D 1 1 7.005000000 1.000000000 D 1 1 0.9656000000 1.000000000 D 1 1 0.4348000000 1.000000000 D 1 1 0.1782000000 1.000000000 D 1 1 0.8966000000E-01 1.000000000 D 1 1 0.2975000000E-01 1.000000000 F 1 1 125.5000000 1.000000000 F 1 1 40.55000000 1.000000000 F 1 1 14.98000000 1.000000000 F 1 1 5.860000000 1.000000000 F 1 1 2.169000000 1.000000000 F 1 1 0.6722000000 1.000000000 LUTETIUM ! (6s,6p,6d,6f) S 1 1 5.406000000 1.000000000 S 1 1 0.5869000000 1.000000000 S 1 1 0.4803000000 1.000000000 S 1 1 0.8701000000E-01 1.000000000 S 1 1 0.4189000000E-01 1.000000000 S 1 1 0.1926000000E-01 1.000000000 P 1 1 1.132000000 1.000000000 P 1 1 0.6640000000 1.000000000 P 1 1 0.3620000000 1.000000000 P 1 1 0.1092000000 1.000000000 P 1 1 0.4826000000E-01 1.000000000 P 1 1 0.2062000000E-01 1.000000000 D 1 1 9.177000000 1.000000000 D 1 1 0.8922000000 1.000000000 D 1 1 0.3919000000 1.000000000 D 1 1 0.1863000000 1.000000000 D 1 1 0.8271000000E-01 1.000000000 D 1 1 0.3416000000E-01 1.000000000 F 1 1 120.7000000 1.000000000 F 1 1 40.23000000 1.000000000 F 1 1 15.34000000 1.000000000 F 1 1 6.161000000 1.000000000 F 1 1 2.357000000 1.000000000 F 1 1 0.7718000000 1.000000000 HAFNIUM ! (5s,5p,4d) S 1 1 2.555000000 1.000000000 S 1 1 0.7010000000 1.000000000 S 1 1 0.4410000000 1.000000000 S 1 1 0.9360000000E-01 1.000000000 S 1 1 0.3580000000E-01 1.000000000 P 1 1 2.608600000 1.000000000 P 1 1 1.514100000 1.000000000 P 1 1 0.6290000000 1.000000000 P 1 1 0.2784000000 1.000000000 P 1 1 0.9998000000E-01 1.000000000 D 1 1 0.8916000000 1.000000000 D 1 1 0.3470000000 1.000000000 D 1 1 0.1392000000 1.000000000 D 1 1 0.5467000000E-01 1.000000000 TANTALUM ! (5s,5p,4d) S 1 1 5.274000000 1.000000000 S 1 1 3.202500000 1.000000000 S 1 1 1.379700000 1.000000000 S 1 1 0.5454000000 1.000000000 S 1 1 0.6560000000E-01 1.000000000 P 1 1 2.635200000 1.000000000 P 1 1 1.875100000 1.000000000 P 1 1 0.7722000000 1.000000000 P 1 1 0.3749000000 1.000000000 P 1 1 0.1585000000 1.000000000 D 1 1 0.9357000000 1.000000000 D 1 1 0.3664000000 1.000000000 D 1 1 0.1505000000 1.000000000 D 1 1 0.6150000000E-01 1.000000000 WOLFFRAM ! (5s,5p,4d) S 1 1 2.853300000 1.000000000 S 1 1 0.9067000000 1.000000000 S 1 1 0.2815000000 1.000000000 S 1 1 0.1102000000 1.000000000 S 1 1 0.3969000000E-01 1.000000000 P 1 1 3.008500000 1.000000000 P 1 1 1.726500000 1.000000000 P 1 1 0.7364000000 1.000000000 P 1 1 0.3189000000 1.000000000 P 1 1 0.9046000000E-01 1.000000000 D 1 1 1.017000000 1.000000000 D 1 1 0.4026000000 1.000000000 D 1 1 0.1632000000 1.000000000 D 1 1 0.6538000000E-01 1.000000000 RHENIUM ! (5s,5p,4d) S 1 1 2.676000000 1.000000000 S 1 1 1.110000000 1.000000000 S 1 1 0.6429000000 1.000000000 S 1 1 0.1173000000 1.000000000 S 1 1 0.4592000000E-01 1.000000000 P 1 1 3.141700000 1.000000000 P 1 1 1.936000000 1.000000000 P 1 1 0.8283000000 1.000000000 P 1 1 0.3795000000 1.000000000 P 1 1 0.1476000000 1.000000000 D 1 1 1.062300000 1.000000000 D 1 1 0.4147000000 1.000000000 D 1 1 0.1673000000 1.000000000 D 1 1 0.6771000000E-01 1.000000000 OSMIUM ! (5s,5p,4d) S 1 1 2.217300000 1.000000000 S 1 1 1.481100000 1.000000000 S 1 1 0.3064000000 1.000000000 S 1 1 0.1404000000 1.000000000 S 1 1 0.4833000000E-01 1.000000000 P 1 1 3.904000000 1.000000000 P 1 1 1.468300000 1.000000000 P 1 1 0.6801000000 1.000000000 P 1 1 0.3074000000 1.000000000 P 1 1 0.1063000000 1.000000000 D 1 1 1.121300000 1.000000000 D 1 1 0.4306000000 1.000000000 D 1 1 0.1704000000 1.000000000 D 1 1 0.6810000000E-01 1.000000000 IRIDIUM ! (5s,5p,4d) S 1 1 2.179400000 1.000000000 S 1 1 1.836500000 1.000000000 S 1 1 0.5221000000 1.000000000 S 1 1 0.1462000000 1.000000000 S 1 1 0.5139000000E-01 1.000000000 P 1 1 2.811700000 1.000000000 P 1 1 2.461400000 1.000000000 P 1 1 0.8901000000 1.000000000 P 1 1 0.3920000000 1.000000000 P 1 1 0.1447000000 1.000000000 D 1 1 1.215000000 1.000000000 D 1 1 0.4725000000 1.000000000 D 1 1 0.1876000000 1.000000000 D 1 1 0.7457000000E-01 1.000000000 PLATINUM ! (5s,5p,4d) S 1 1 2.365400000 1.000000000 S 1 1 1.804500000 1.000000000 S 1 1 0.5083000000 1.000000000 S 1 1 0.1484000000 1.000000000 S 1 1 0.5148000000E-01 1.000000000 P 1 1 3.372200000 1.000000000 P 1 1 2.532800000 1.000000000 P 1 1 1.274000000 1.000000000 P 1 1 0.6238000000 1.000000000 P 1 1 0.2210000000 1.000000000 D 1 1 1.446300000 1.000000000 D 1 1 0.8898000000 1.000000000 D 1 1 0.3387000000 1.000000000 D 1 1 0.1320000000 1.000000000 GOLD ! (5s,5p,4d) S 1 1 2.465100000 1.000000000 S 1 1 1.943100000 1.000000000 S 1 1 0.5613000000 1.000000000 S 1 1 0.1452000000 1.000000000 S 1 1 0.5039000000E-01 1.000000000 P 1 1 3.530600000 1.000000000 P 1 1 2.612200000 1.000000000 P 1 1 0.9813000000 1.000000000 P 1 1 0.4266000000 1.000000000 P 1 1 0.1475000000 1.000000000 D 1 1 1.336600000 1.000000000 D 1 1 0.5035000000 1.000000000 D 1 1 0.1940000000 1.000000000 D 1 1 0.7560000000E-01 1.000000000 MERCURY ! (5s,5p,4d) -> [1s,1p,1d] S 1 1 2.495700000 1.000000000 S 1 1 2.066500000 1.000000000 S 1 1 0.5553000000 1.000000000 S 1 1 0.1736000000 1.000000000 S 1 1 0.5873000000E-01 1.000000000 P 1 1 3.719700000 1.000000000 P 1 1 2.480600000 1.000000000 P 1 1 1.021900000 1.000000000 P 1 1 0.4514000000 1.000000000 P 1 1 0.1558000000 1.000000000 D 1 1 1.441900000 1.000000000 D 1 1 0.5554000000 1.000000000 D 1 1 0.2163000000 1.000000000 D 1 1 0.8224000000E-01 1.000000000 THALLIUM ! (3s,3p,4d) -> [1s,1p,1d] S 1 1 0.5736000000 1.000000000 S 1 1 0.2523000000 1.000000000 S 1 1 0.7790000000E-01 1.000000000 P 1 1 0.7694000000 1.000000000 P 1 1 0.1494000000 1.000000000 P 1 1 0.4550000000E-01 1.000000000 D 1 1 1.522800000 1.000000000 D 1 1 0.5910000000 1.000000000 D 1 1 0.2299000000 1.000000000 D 1 1 0.7860000000E-01 1.000000000 LEAD ! (3s,3p,4d) -> [1s,1p,1d] S 1 1 0.5920000000 1.000000000 S 1 1 0.3028000000 1.000000000 S 1 1 0.9220000000E-01 1.000000000 P 1 1 0.7564000000 1.000000000 P 1 1 0.1876000000 1.000000000 P 1 1 0.6100000000E-01 1.000000000 D 1 1 1.588800000 1.000000000 D 1 1 0.6137000000 1.000000000 D 1 1 0.2339000000 1.000000000 D 1 1 0.6550000000E-01 1.000000000 BISMUTH ! (3s,3p,4d) -> [1s,1p,1d] S 1 1 0.7002000000 1.000000000 S 1 1 0.3119000000 1.000000000 S 1 1 0.1103000000 1.000000000 P 1 1 0.8801000000 1.000000000 P 1 1 0.2207000000 1.000000000 P 1 1 0.7540000000E-01 1.000000000 D 1 1 1.690900000 1.000000000 D 1 1 0.6636000000 1.000000000 D 1 1 0.2529000000 1.000000000 D 1 1 0.6410000000E-01 1.000000000 POLONIUM ! (3s,3p,4d) -> [1s,1p,1d] S 1 1 0.6658000000 1.000000000 S 1 1 0.3696000000 1.000000000 S 1 1 0.1146000000 1.000000000 P 1 1 0.9172000000 1.000000000 P 1 1 0.2671000000 1.000000000 P 1 1 0.8730000000E-01 1.000000000 D 1 1 1.821300000 1.000000000 D 1 1 0.7440000000 1.000000000 D 1 1 0.2911000000 1.000000000 D 1 1 0.8100000000E-01 1.000000000 ASTATINE ! (3s,3p,4d) -> [1s,1p,1d] S 1 1 0.7185000000 1.000000000 S 1 1 0.3553000000 1.000000000 S 1 1 0.1246000000 1.000000000 P 1 1 0.9293000000 1.000000000 P 1 1 0.2670000000 1.000000000 P 1 1 0.8760000000E-01 1.000000000 D 1 1 1.816100000 1.000000000 D 1 1 0.7396000000 1.000000000 D 1 1 0.2833000000 1.000000000 D 1 1 0.8000000000E-01 1.000000000 RADON ! (3s,3p,4d) -> [1s,1p,1d] S 1 1 0.7022000000 1.000000000 S 1 1 0.4115000000 1.000000000 S 1 1 0.1340000000 1.000000000 P 1 1 1.036900000 1.000000000 P 1 1 0.3308000000 1.000000000 P 1 1 0.1108000000 1.000000000 D 1 1 2.147600000 1.000000000 D 1 1 0.9666000000 1.000000000 D 1 1 0.4088000000 1.000000000 D 1 1 0.1302000000 1.000000000 FRANCIUM ! (5s,5p,4d) -> [1s,1p,1d] S 1 1 0.7475000000 1.000000000 S 1 1 0.5133000000 1.000000000 S 1 1 0.2220000000 1.000000000 S 1 1 0.1800000000 1.000000000 S 1 1 0.2260000000E-01 1.000000000 P 1 1 0.9503000000 1.000000000 P 1 1 0.4237000000 1.000000000 P 1 1 0.1567000000 1.000000000 P 1 1 0.4250000000E-01 1.000000000 P 1 1 0.2490000000E-01 1.000000000 D 1 1 0.8220000000 1.000000000 D 1 1 0.6784000000 1.000000000 D 1 1 0.1289000000 1.000000000 D 1 1 0.2470000000E-01 1.000000000 RADIUM ! (5s,5p,4d) -> [1s,1p,1d] S 1 1 0.8573000000 1.000000000 S 1 1 0.5490000000 1.000000000 S 1 1 0.1998000000 1.000000000 S 1 1 0.1631000000 1.000000000 S 1 1 0.2280000000E-01 1.000000000 P 1 1 1.151800000 1.000000000 P 1 1 0.4229000000 1.000000000 P 1 1 0.1640000000 1.000000000 P 1 1 0.4420000000E-01 1.000000000 P 1 1 0.1720000000E-01 1.000000000 D 1 1 1.615000000 1.000000000 D 1 1 0.4550000000 1.000000000 D 1 1 0.1690000000 1.000000000 D 1 1 0.3100000000E-01 1.000000000 ACTINIUM ! (5s,5p,4d,4f) -> [1s,1p,1d,1f] S 1 1 0.9636000000 1.000000000 S 1 1 0.5266000000 1.000000000 S 1 1 0.1513000000 1.000000000 S 1 1 0.1194000000 1.000000000 S 1 1 0.3570000000E-01 1.000000000 P 1 1 0.9402000000 1.000000000 P 1 1 0.6756000000 1.000000000 P 1 1 0.2585000000 1.000000000 P 1 1 0.9060000000E-01 1.000000000 P 1 1 0.2890000000E-01 1.000000000 D 1 1 1.366700000 1.000000000 D 1 1 0.3422000000 1.000000000 D 1 1 0.1329000000 1.000000000 D 1 1 0.4630000000E-01 1.000000000 F 1 1 0.1110000000 1.000000000 F 1 1 0.2390000000E-01 1.000000000 F 1 1 0.8000000000E-02 1.000000000 F 1 1 0.3200000000E-02 1.000000000 THORIUM ! (5s,5p,4d,4f) -> [1s,1p,1d,1f] S 1 1 0.8559000000 1.000000000 S 1 1 0.6788000000 1.000000000 S 1 1 0.1687000000 1.000000000 S 1 1 0.9870000000E-01 1.000000000 S 1 1 0.3310000000E-01 1.000000000 P 1 1 1.095500000 1.000000000 P 1 1 0.7035000000 1.000000000 P 1 1 0.2839000000 1.000000000 P 1 1 0.1166000000 1.000000000 P 1 1 0.3510000000E-01 1.000000000 D 1 1 2.123200000 1.000000000 D 1 1 0.3507000000 1.000000000 D 1 1 0.1351000000 1.000000000 D 1 1 0.4950000000E-01 1.000000000 F 1 1 3.687100000 1.000000000 F 1 1 1.440500000 1.000000000 F 1 1 0.5334000000 1.000000000 F 1 1 0.1696000000 1.000000000 PROTACTINIUM ! (5s,5p,4d,4f) -> [1s,1p,1d,1f] S 1 1 0.9652000000 1.000000000 S 1 1 0.6098000000 1.000000000 S 1 1 0.1636000000 1.000000000 S 1 1 0.8750000000E-01 1.000000000 S 1 1 0.3030000000E-01 1.000000000 P 1 1 1.182100000 1.000000000 P 1 1 0.7366000000 1.000000000 P 1 1 0.2963000000 1.000000000 P 1 1 0.1203000000 1.000000000 P 1 1 0.3260000000E-01 1.000000000 D 1 1 1.702700000 1.000000000 D 1 1 0.3748000000 1.000000000 D 1 1 0.1417000000 1.000000000 D 1 1 0.5050000000E-01 1.000000000 F 1 1 3.914400000 1.000000000 F 1 1 1.544900000 1.000000000 F 1 1 0.5737000000 1.000000000 F 1 1 0.1816000000 1.000000000 URANIUM ! (5s,5p,4d,4f) -> [1s,1p,1d,1f] S 1 1 0.9978000000 1.000000000 S 1 1 0.7281000000 1.000000000 S 1 1 0.2132000000 1.000000000 S 1 1 0.1092000000 1.000000000 S 1 1 0.3460000000E-01 1.000000000 P 1 1 1.424800000 1.000000000 P 1 1 0.6453000000 1.000000000 P 1 1 0.2711000000 1.000000000 P 1 1 0.1019000000 1.000000000 P 1 1 0.3080000000E-01 1.000000000 D 1 1 2.150500000 1.000000000 D 1 1 0.3844000000 1.000000000 D 1 1 0.1419000000 1.000000000 D 1 1 0.4920000000E-01 1.000000000 F 1 1 4.377700000 1.000000000 F 1 1 1.797000000 1.000000000 F 1 1 0.7050000000 1.000000000 F 1 1 0.2425000000 1.000000000 NEPTUNIUM ! (5s,5p,4d,4f) -> [1s,1p,1d,1f] S 1 1 1.001200000 1.000000000 S 1 1 0.7687000000 1.000000000 S 1 1 0.2064000000 1.000000000 S 1 1 0.9880000000E-01 1.000000000 S 1 1 0.3100000000E-01 1.000000000 P 1 1 1.494500000 1.000000000 P 1 1 0.6844000000 1.000000000 P 1 1 0.2952000000 1.000000000 P 1 1 0.1233000000 1.000000000 P 1 1 0.3280000000E-01 1.000000000 D 1 1 2.787100000 1.000000000 D 1 1 0.3930000000 1.000000000 D 1 1 0.1438000000 1.000000000 D 1 1 0.5030000000E-01 1.000000000 F 1 1 4.367700000 1.000000000 F 1 1 1.777900000 1.000000000 F 1 1 0.6802000000 1.000000000 F 1 1 0.2239000000 1.000000000 PLUTONIUM ! (5s,5p,4d,4f) -> [1s,1p,1d,1f] S 1 1 1.081700000 1.000000000 S 1 1 0.7457000000 1.000000000 S 1 1 0.2115000000 1.000000000 S 1 1 0.7740000000E-01 1.000000000 S 1 1 0.2940000000E-01 1.000000000 P 1 1 1.561100000 1.000000000 P 1 1 0.7242000000 1.000000000 P 1 1 0.3081000000 1.000000000 P 1 1 0.1267000000 1.000000000 P 1 1 0.3400000000E-01 1.000000000 D 1 1 2.690300000 1.000000000 D 1 1 0.4088000000 1.000000000 D 1 1 0.1434000000 1.000000000 D 1 1 0.4780000000E-01 1.000000000 F 1 1 4.449500000 1.000000000 F 1 1 1.833400000 1.000000000 F 1 1 0.7127000000 1.000000000 F 1 1 0.2395000000 1.000000000 AMERICIUM ! (0s,2p,6d,5f) -> [0s,1p,1d,1f] P 1 1 0.4335880000E-01 1.000000000 P 1 1 0.1522670000E-01 1.000000000 D 1 1 11.51588900 1.000000000 D 1 1 1.958544600 1.000000000 D 1 1 1.328429800 1.000000000 D 1 1 0.5282669000 1.000000000 D 1 1 0.1531474000 1.000000000 D 1 1 0.5094990000E-01 1.000000000 F 1 1 5.377403400 1.000000000 F 1 1 2.428195700 1.000000000 F 1 1 1.123794200 1.000000000 F 1 1 0.4971558000 1.000000000 F 1 1 0.1964535000 1.000000000 CURIUM ! (0s,2p,6d,5f) -> [0s,1p,1d,1f] P 1 1 0.4263980000E-01 1.000000000 P 1 1 0.1540940000E-01 1.000000000 D 1 1 11.02652600 1.000000000 D 1 1 2.391981100 1.000000000 D 1 1 1.319938300 1.000000000 D 1 1 0.5460793000 1.000000000 D 1 1 0.1573956000 1.000000000 D 1 1 0.5221260000E-01 1.000000000 F 1 1 5.339841200 1.000000000 F 1 1 2.403782900 1.000000000 F 1 1 1.101932700 1.000000000 F 1 1 0.4826264000 1.000000000 F 1 1 0.1879217000 1.000000000 BERKELIUM ! (0s,2p,6d,5f) -> [0s,1p,1d,1f] P 1 1 0.4390840000E-01 1.000000000 P 1 1 0.1562090000E-01 1.000000000 D 1 1 16.75488400 1.000000000 D 1 1 2.293240100 1.000000000 D 1 1 1.257783100 1.000000000 D 1 1 0.5201191000 1.000000000 D 1 1 0.1554146000 1.000000000 D 1 1 0.5182450000E-01 1.000000000 F 1 1 5.703344400 1.000000000 F 1 1 2.574156900 1.000000000 F 1 1 1.174898400 1.000000000 F 1 1 0.5133695000 1.000000000 F 1 1 0.2000785000 1.000000000 CALIFORNIUM ! (0s,2p,6d,5f) -> [0s,1p,1d,1f] P 1 1 0.4826890000E-01 1.000000000 P 1 1 0.1630720000E-01 1.000000000 D 1 1 20.73390900 1.000000000 D 1 1 2.093708200 1.000000000 D 1 1 1.536306000 1.000000000 D 1 1 0.5954388000 1.000000000 D 1 1 0.1692088000 1.000000000 D 1 1 0.5543990000E-01 1.000000000 F 1 1 6.004706800 1.000000000 F 1 1 2.732518900 1.000000000 F 1 1 1.310229900 1.000000000 F 1 1 0.5833715000 1.000000000 F 1 1 0.2315253000 1.000000000 ! (0s,2p,6d,5f) -> [0s,1p,1d,1f] P 1 1 0.4899320000E-01 1.000000000 P 1 1 0.1672860000E-01 1.000000000 D 1 1 14.96070400 1.000000000 D 1 1 2.164273100 1.000000000 D 1 1 1.564049600 1.000000000 D 1 1 0.6108950000 1.000000000 D 1 1 0.1746284000 1.000000000 D 1 1 0.5696390000E-01 1.000000000 F 1 1 6.169924000 1.000000000 F 1 1 2.836120300 1.000000000 F 1 1 1.322702400 1.000000000 F 1 1 0.5862411000 1.000000000 F 1 1 0.2348108000 1.000000000 ! (0s,2p,6d,5f) -> [0s,1p,1d,1f] P 1 1 0.4864470000E-01 1.000000000 P 1 1 0.1664780000E-01 1.000000000 D 1 1 14.37279300 1.000000000 D 1 1 2.627991000 1.000000000 D 1 1 1.558107200 1.000000000 D 1 1 0.6341563000 1.000000000 D 1 1 0.1793011000 1.000000000 D 1 1 0.5831330000E-01 1.000000000 F 1 1 6.336274400 1.000000000 F 1 1 2.897051100 1.000000000 F 1 1 1.353875400 1.000000000 F 1 1 0.5971338000 1.000000000 F 1 1 0.2371621000 1.000000000 ! (0s,2p,6d,5f) -> [0s,1p,1d,1f] P 1 1 0.5161830000E-01 1.000000000 P 1 1 0.1693650000E-01 1.000000000 D 1 1 22.02971900 1.000000000 D 1 1 2.164273100 1.000000000 D 1 1 1.567324900 1.000000000 D 1 1 0.6122855000 1.000000000 D 1 1 0.1797246000 1.000000000 D 1 1 0.5840550000E-01 1.000000000 F 1 1 6.858219700 1.000000000 F 1 1 3.141332200 1.000000000 F 1 1 1.441743400 1.000000000 F 1 1 0.6370828000 1.000000000 F 1 1 0.2554965000 1.000000000 ! (0s,2p,6d,5f) -> [0s,1p,1d,1f] P 1 1 0.5012060000E-01 1.000000000 P 1 1 0.1631360000E-01 1.000000000 D 1 1 20.27771100 1.000000000 D 1 1 2.143843300 1.000000000 D 1 1 1.804352600 1.000000000 D 1 1 0.6688283000 1.000000000 D 1 1 0.1909842000 1.000000000 D 1 1 0.6140980000E-01 1.000000000 F 1 1 7.373020600 1.000000000 F 1 1 3.222581300 1.000000000 F 1 1 1.398040200 1.000000000 F 1 1 0.6139671000 1.000000000 F 1 1 0.2492495000 1.000000000 ! (0s,2p,6d,5f) -> [0s,1p,1d,1f] P 1 1 0.5639850000E-01 1.000000000 P 1 1 0.1875040000E-01 1.000000000 D 1 1 18.91717800 1.000000000 D 1 1 2.583097200 1.000000000 D 1 1 1.755752000 1.000000000 D 1 1 0.6854340000 1.000000000 D 1 1 0.2187084000 1.000000000 D 1 1 0.6977190000E-01 1.000000000 F 1 1 7.580395500 1.000000000 F 1 1 3.445269500 1.000000000 F 1 1 1.571547600 1.000000000 F 1 1 0.7121435000 1.000000000 F 1 1 0.2980248000 1.000000000 Effective Core Potential ------------------------ PM-ECP GEN 54 3 6 ----- F POTENTIAL ----- -0.27581099 2 0.18629999 -3.67671704 2 0.72170001 -19.20204740 2 2.52950001 -80.51749420 2 10.04810050 -295.95886200 2 51.84069830 -32.22702030 1 154.48420700 8 ----- S-F POTENTIAL ----- 0.02899800 2 0.12690000 59.00218200 2 0.63349998 -79.18837740 2 0.73229998 43.98767090 2 1.05410004 36.28269960 2 3.92600012 30.94334980 2 4.81040001 29.88560490 1 13.42710020 5.22673082 0 6.61800003 8 ----- P-F POTENTIAL ----- 21.08691790 2 0.47749999 -63.05217740 2 0.74510002 87.14070130 2 1.02049994 -51.46301650 2 1.54830003 54.61180120 2 2.59549999 2.29255104 2 5.04430008 37.44199370 1 7.40789986 5.61524105 0 21.90730100 8 ----- D-F POTENTIAL ----- -0.40402901 2 0.43770000 30.99323080 2 1.01680005 -96.03415680 2 1.22340000 168.40460200 2 1.65579999 -190.01771500 2 2.43820000 150.01397700 2 3.39700008 36.84980780 1 9.34249973 7.18157816 0 21.38209920 SM-ECP GEN 54 3 6 ----- F POTENTIAL ----- -0.26969901 2 0.18820000 -3.51133609 2 0.72750002 -18.27518270 2 2.50729990 -77.45976250 2 9.85939979 -285.60421800 2 49.69639970 -36.69469070 1 169.41960100 8 ----- S-F POTENTIAL ----- 25.61621090 2 0.61189997 -70.77632140 2 0.91939998 38.24119190 2 1.21570003 52.45853040 2 1.22350001 -49.38473510 2 1.94959998 63.82088850 2 3.04640007 38.89189910 1 7.50869990 6.54664612 0 19.97680090 8 ----- P-F POTENTIAL ----- 29.42872240 2 0.51340002 -76.94017030 2 0.73739999 101.34484900 2 1.02600002 -58.27959440 2 1.46430004 50.80226900 2 2.55809999 -14.50483890 2 7.50089979 41.13980490 1 6.67859984 5.43980885 0 21.94910050 8 ----- D-F POTENTIAL ----- -25.71501730 2 0.79869998 71.07156370 2 0.92199999 -118.19715900 2 1.20060003 185.11428800 2 1.68820000 -194.87985200 2 2.45239997 145.04307600 2 3.46329999 28.46022030 1 8.39239979 7.62672281 0 15.12339970 EU-ECP GEN 54 3 6 ----- F POTENTIAL ----- -0.26617599 2 0.19030000 -3.49868703 2 0.74500000 -18.43297770 2 2.58220005 -79.26859280 2 10.23359970 -299.62655600 2 52.61579900 -36.39295960 1 179.52040100 8 ----- S-F POTENTIAL ----- 21.00108340 2 0.61290002 -57.80246350 2 0.97149998 43.95732500 2 1.30719996 46.48395540 2 1.34809995 -53.55662920 2 1.94980001 61.55118560 2 3.19490004 38.45267870 1 7.54370022 6.59646511 0 19.38649940 8 ----- P-F POTENTIAL ----- 24.56742290 2 0.51599997 -74.12057490 2 0.78479999 97.57618710 2 1.06200004 -63.95512010 2 1.66129994 63.80558400 2 2.54099989 1.47463000 2 3.76889992 38.17859650 1 7.31090021 5.62949991 0 21.53230100 8 ----- D-F POTENTIAL ----- -33.31368260 2 0.89880002 90.53746030 2 1.02810001 -147.84429900 2 1.32400000 225.43699600 2 1.83800006 -234.19693000 2 2.67449999 171.55630500 2 3.81629992 26.45060160 1 9.48239994 7.73455191 0 14.85340020 GD-ECP GEN 54 3 6 ----- F POTENTIAL ----- -0.26610100 2 0.19360000 -3.53136396 2 0.76740003 -18.72265050 2 2.67459989 -81.53036500 2 10.69419960 -300.74014300 2 54.95180130 -33.50960920 1 168.31979400 8 ----- S-F POTENTIAL ----- 19.09932330 2 0.62239999 -26.61323930 2 1.01269996 -26.27995870 2 1.02670002 82.21079250 2 1.38409996 -45.14988710 2 2.11680007 65.37348940 2 3.51329994 41.11628720 1 8.39589977 6.52553797 0 22.29739950 8 ----- P-F POTENTIAL ----- 26.62279320 2 0.53479999 -72.51585390 2 0.79269999 99.13574980 2 1.10570002 -65.45091250 2 1.64199996 63.48794560 2 2.63709998 -16.52910610 2 4.77899981 37.74343490 1 6.12379980 5.63271189 0 18.10639950 8 ----- D-F POTENTIAL ----- -28.08826640 2 0.94540000 81.27649690 2 1.08700001 -135.07252500 2 1.38240004 202.14030500 2 1.91030002 -205.07235700 2 2.79839993 160.03721600 2 4.04769993 27.62781720 1 9.75979995 7.72167111 0 15.58259960 TB-ECP GEN 54 3 6 ----- F POTENTIAL ----- -0.26984900 2 0.19800000 -3.62558699 2 0.79670000 -19.32910350 2 2.80559993 -84.83631890 2 11.31449990 -308.04827900 2 58.80989840 -29.42491720 1 154.28930700 8 ----- S-F POTENTIAL ----- 0.03446100 2 0.13300000 95.90180200 2 0.78710002 -172.62870800 2 0.93940002 111.80809800 2 1.21809995 -17.09731290 2 2.20289993 72.16942590 2 4.50530005 46.53331760 1 11.02239990 6.30115700 0 29.26510050 8 ----- P-F POTENTIAL ----- 25.06032560 2 0.54470003 -70.25512690 2 0.82410002 96.37406920 2 1.14540005 -61.05334470 2 1.72200000 63.21340180 2 2.80520010 -3.11191893 2 4.27790022 38.19372940 1 7.36959982 5.65808010 0 20.52960010 8 ----- D-F POTENTIAL ----- -18.67657280 2 0.98070002 59.35923770 2 1.14110005 -102.18101500 2 1.43460000 161.22937000 2 1.99930000 -161.95156900 2 2.94009996 141.52011100 2 4.38520002 30.36456680 1 10.22750000 7.63114309 0 17.35890010 DY-ECP GEN 54 3 6 ----- F POTENTIAL ----- -0.24610400 2 0.19589999 -3.12704992 2 0.76220000 -16.79536250 2 2.58400011 -73.63502500 2 10.09679990 -264.27121000 2 48.73460010 -37.48455430 1 164.56170700 8 ----- S-F POTENTIAL ----- 0.03927000 2 0.13990000 119.06783300 2 0.83789998 -201.71113600 2 0.99059999 230.92334000 2 1.47319996 -175.07632400 2 1.91900003 95.23589320 2 3.12389994 45.16174700 1 8.81739998 6.41383982 0 25.33569910 8 ----- P-F POTENTIAL ----- 27.72136120 2 0.56580001 -73.24303430 2 0.83509999 97.90841670 2 1.17279995 -65.15378570 2 1.76390004 62.79773330 2 2.75780010 0.42207801 2 3.79119992 36.59001160 1 7.19640017 5.73405981 0 18.36179920 8 ----- D-F POTENTIAL ----- -21.80728910 2 1.00370002 57.27083970 2 1.14460003 -100.43373100 2 1.49460006 175.60334800 2 2.10730004 -185.86096200 2 3.17759991 168.78459200 2 4.87099981 25.64606860 1 12.15419960 7.84217119 0 15.88690000 HO-ECP GEN 54 3 6 ----- F POTENTIAL ----- -0.24419101 2 0.19880000 -3.11587691 2 0.77969998 -16.65380860 2 2.63420010 -73.37957000 2 10.26840020 -258.84875500 2 48.84769820 -37.32218550 1 162.01890600 8 ----- S-F POTENTIAL ----- 0.04005300 2 0.14200001 123.58869200 2 0.86420000 -236.74517800 2 1.02839994 171.58247400 2 1.33249998 -54.66671370 2 2.17129994 80.29673000 2 4.00290012 47.89864350 1 10.56019970 6.27561522 0 28.76339910 8 ----- P-F POTENTIAL ----- 10.00089930 2 0.48590002 -18.15449910 2 0.89020002 4.20426417 2 1.39730001 42.85946280 2 1.40050006 -37.44625860 2 2.07459998 62.10699080 2 3.35479999 42.81314470 1 8.65760040 5.61891890 0 25.96680070 8 ----- D-F POTENTIAL ----- -17.04135320 2 1.04910004 47.99711230 2 1.20220006 -84.43540190 2 1.54100001 149.89463800 2 2.18689990 -158.44630400 2 3.33369994 160.95439200 2 5.20219994 26.41877370 1 12.70359990 7.84279013 0 16.47439960 ER-ECP GEN 54 3 6 ----- F POTENTIAL ----- -0.24749100 2 0.20420000 -3.12518692 2 0.80059999 -16.71219250 2 2.70350003 -73.93254850 2 10.54500010 -266.99044800 2 50.36610030 -39.54242710 1 179.59350600 8 ----- S-F POTENTIAL ----- 0.04168000 2 0.14760000 118.45232400 2 0.88929999 -215.00274700 2 1.06110001 177.66186500 2 1.45819998 -124.16603900 2 2.33829999 118.82530200 2 3.34649992 50.10784910 1 9.93130016 6.37769508 0 31.89080050 8 ----- P-F POTENTIAL ----- 10.00590610 2 0.49800000 -32.43202210 2 0.99419999 282.26181000 2 1.31599999 -224.79307600 2 1.31579995 -39.97660450 2 2.20199990 66.70326230 2 3.26659989 41.70607380 1 8.36079979 5.66391897 0 23.72389980 8 ----- D-F POTENTIAL ----- -10.52753640 2 1.72560000 -12.90994930 2 1.74810004 102.43170900 2 2.39429998 -124.21231100 2 3.59179998 165.57734700 2 5.86060000 -24.26627920 2 10.48060040 60.33625410 1 16.07609940 6.67504692 0 49.35649870 TM-ECP GEN 54 3 6 ----- F POTENTIAL ----- -0.24459700 2 0.20750000 -3.04991007 2 0.81089997 -16.31619640 2 2.71910000 -71.80751800 2 10.51509950 -219.44210800 2 46.68840030 -32.14739230 1 119.95919800 8 ----- S-F POTENTIAL ----- 0.04336000 2 0.15210000 116.32991800 2 0.91829997 -230.19224600 2 1.11269999 228.38797000 2 1.52339995 -148.97734100 2 2.18759990 106.57288400 2 3.32069993 46.43137740 1 9.13409996 6.47452116 0 25.98240090 8 ----- P-F POTENTIAL ----- 0.03231000 2 0.12780000 112.35777300 2 0.63319999 -112.68846100 2 0.66270000 190.72164900 2 2.03090000 -206.54730200 2 2.27940011 99.58874510 2 3.92199993 40.48825460 1 10.70800020 5.48724222 0 21.23900030 8 ----- D-F POTENTIAL ----- -10.80157280 2 1.12740004 29.62875560 2 1.28230000 -56.37639620 2 1.63870001 117.18654600 2 2.34240007 -119.45823700 2 3.57110000 146.09451300 2 5.80569983 29.72262000 1 13.21090030 7.77486515 0 18.70999910 YB-ECP GEN 54 3 6 ----- F POTENTIAL ----- -0.23695500 2 0.20919999 -2.94540310 2 0.81500000 -15.92528720 2 2.72350001 -70.09550470 2 10.49730020 -228.63296500 2 46.54999920 -36.79430390 1 145.14129600 8 ----- S-F POTENTIAL ----- 0.03595000 2 0.14550000 114.44560200 2 0.91399997 -183.63880900 2 1.06060004 99.74138640 2 1.37839997 -6.33236122 2 3.61319995 78.99283600 2 5.37309981 42.97451780 1 11.38829990 6.56887198 0 24.75140000 8 ----- P-F POTENTIAL ----- 0.04724300 2 0.13959999 115.76213100 2 0.73640001 -227.08677700 2 0.87620002 213.08325200 2 1.18420005 -122.05501600 2 1.63479996 74.42581940 2 2.70499992 44.72285080 1 8.01939964 5.66238213 0 26.23830030 8 ----- D-F POTENTIAL ----- 0.00776900 2 0.11500000 -25.85315900 2 1.80429995 87.56867220 2 2.39470005 -93.73007200 2 3.80189991 151.94841000 2 6.20260000 -28.00010870 2 11.57400040 60.07494360 1 15.53549960 6.73838902 0 46.52880100 LU-ECP GEN 54 3 6 ----- F POTENTIAL ----- -0.31990600 2 0.25189999 -3.15664697 2 0.93210000 -16.28186800 2 2.93959999 -69.33083340 2 10.88259980 -226.54129000 2 46.68960190 -38.74679190 1 154.12980700 8 ----- S-F POTENTIAL ----- 0.05339400 2 0.17810001 117.31488000 2 0.99000001 -227.90637200 2 1.18410003 207.11132800 2 1.55540001 -99.07708740 2 2.13179994 -36.54268270 2 4.83319998 54.19141770 1 3.05800009 3.64155197 0 17.84269910 8 ----- P-F POTENTIAL ----- 32.67243960 2 0.60970002 -78.01814270 2 0.85030001 100.01547200 2 1.20529997 -69.97026820 2 1.77429998 12.09111500 2 2.33669996 54.91968160 2 2.90009999 41.97269820 1 7.69759989 5.71504688 0 21.86129950 8 ----- D-F POTENTIAL ----- 0.08798900 2 0.22400001 -31.79989050 2 0.92799997 46.60775380 2 0.99860001 -41.07834250 2 1.46200001 150.61451700 2 2.50060010 -159.04402200 2 3.25530005 54.65802380 1 4.62179995 6.87314081 0 24.98469930 HF-ECP GEN 60 4 6 ----- G POTENTIAL ----- -0.33688599 2 0.77789998 -5.75432682 2 2.20149994 -34.38175201 2 5.79570007 -89.85289001 2 14.84070015 -248.74275208 2 52.10160065 -44.91285324 1 162.34359741 8 ----- S-G POTENTIAL ----- -0.64158797 2 1.08210003 55.41609955 2 2.54130006 -176.05253601 2 3.23320007 396.81842041 2 4.75519991 -353.61618042 2 7.48320007 329.38104248 2 12.02369976 27.30104828 1 35.47389984 6.73441696 0 30.75819969 8 ----- P-G POTENTIAL ----- -0.03051100 2 0.25839999 5.96079922 2 1.89649999 -116.54636383 2 3.19810009 354.66134644 2 4.15119982 -346.44451904 2 6.22959995 286.48968506 2 9.52000046 42.98619461 1 24.88139915 5.40717411 0 47.12340164 8 ----- D-G POTENTIAL ----- -0.01930300 2 0.25630000 41.46035004 2 1.74779999 -123.71736145 2 2.02530003 228.98324585 2 2.68670011 -253.25607300 2 3.86759996 217.21978760 2 5.61810017 27.25153923 1 13.09689999 7.88987684 0 18.43250084 8 ----- F-G POTENTIAL ----- -29.21422958 2 0.75269997 84.13317108 2 0.83020002 -109.43501282 2 0.98720002 63.54305649 2 1.17200005 34.68389130 2 4.78700018 94.54371643 2 12.48890018 33.17300034 1 33.07509995 0.93162602 0 73.49960327 TA-ECP GEN 60 4 6 ----- G POTENTIAL ----- -0.45041099 2 0.97380000 -7.63836813 2 2.72210002 -43.87855530 2 7.14249992 -97.77507019 2 18.33259964 -287.56149292 2 63.04660034 -46.50049973 1 201.99899292 8 ----- S-G POTENTIAL ----- -40.60095978 2 2.10870004 126.83788300 2 2.46819997 -235.24430847 2 3.29310012 445.97167969 2 4.87939978 -389.18530273 2 7.62050009 355.67025757 2 12.02050018 28.51909828 1 35.52090073 6.77081203 0 30.82360077 8 ----- P-G POTENTIAL ----- -0.09473200 2 0.57340002 59.86339188 2 2.51550007 -192.32298279 2 3.03670001 388.45581055 2 4.18940020 -359.23678589 2 6.30660009 300.74194336 2 9.71700001 34.81594086 1 25.63400078 5.73217821 0 34.21419907 8 ----- D-G POTENTIAL ----- -0.03177600 2 0.37210000 37.44372940 2 1.78380001 -120.92505646 2 2.09549999 226.60716248 2 2.76589990 -243.61962891 2 3.95749998 210.83656311 2 5.68820000 53.84714890 1 15.65960026 6.98262882 0 43.08679962 8 ----- F-G POTENTIAL ----- 26.30927849 2 0.76929998 -63.06319427 2 0.85350001 55.48675537 2 1.00039995 -12.49588585 2 1.13390005 24.29885674 2 3.51349998 89.15798187 2 10.11849976 32.28345489 1 26.51479912 1.07911205 0 58.97980118 W-ECP GEN 60 4 6 ----- G POTENTIAL ----- -0.54709101 2 1.16069996 -9.24740410 2 3.19729996 -52.48021317 2 8.38640022 -106.44053650 2 22.00390053 -320.76925659 2 73.78410339 -47.99345398 1 241.43850708 8 ----- S-G POTENTIAL ----- -39.29640198 2 2.27020001 124.15521240 2 2.63599992 -228.80580139 2 3.46090007 432.31655884 2 5.08890009 -361.88928223 2 7.92360020 357.38705444 2 12.65060043 30.99152946 1 35.13869858 6.80353212 0 32.79159927 8 ----- P-G POTENTIAL ----- -31.35513878 2 1.82889998 103.97112274 2 2.16409993 -200.15911865 2 2.87249994 372.58468628 2 4.19990015 -344.03176880 2 6.40469980 300.36007690 2 9.77509975 36.69195175 1 25.06100082 5.78834915 0 34.81399918 8 ----- D-G POTENTIAL ----- -24.22998619 2 1.33169997 75.06442261 2 1.55110002 -149.58029175 2 2.06049991 267.75427246 2 2.91930008 -291.28921509 2 4.37589979 253.97956848 2 6.54969978 26.81559563 1 16.10079956 7.90078878 0 20.45079994 8 ----- F-G POTENTIAL ----- 37.99953842 2 0.87849998 -73.81892395 2 0.95969999 102.53340149 2 1.22749996 -60.67398453 2 1.33510005 25.93541336 2 3.73200011 93.24456787 2 10.76949978 33.22473145 1 28.34440041 1.05253196 0 66.98750305 RE-ECP GEN 60 4 6 ----- G POTENTIAL ----- -0.63006300 2 1.34420002 -10.51489067 2 3.63630009 -58.95209122 2 9.45650005 -115.01941681 2 25.35820007 -347.15853882 2 83.40769959 -49.26778412 1 276.78070068 8 ----- S-G POTENTIAL ----- -44.26672363 2 2.36209989 129.19606018 2 2.72939992 -242.92758179 2 3.67540002 501.74584961 2 5.53210020 -445.97048950 2 8.98340034 394.00692749 2 15.25590038 26.49606895 1 50.81330109 6.66976500 0 35.46549988 8 ----- P-G POTENTIAL ----- -40.03034592 2 2.03469992 126.64355469 2 2.35809994 -228.62715149 2 3.05710006 402.92218018 2 4.39909983 -364.56909180 2 6.61850023 314.11911011 2 10.01210022 41.13771057 1 25.28219986 5.77764893 0 38.69940186 8 ----- D-G POTENTIAL ----- -19.84150887 2 1.33980000 41.82987595 2 1.50170004 -115.67475128 2 2.26449990 256.13897705 2 3.06690001 -264.05648804 2 4.50220013 231.04666138 2 6.76459980 28.69319344 1 15.22159958 7.87635279 0 21.53820038 8 ----- F-G POTENTIAL ----- -69.01650238 2 1.48140001 172.23371887 2 1.68589997 -173.36340332 2 2.11229992 97.75544739 2 2.64039993 78.55423737 2 9.64130020 126.52191925 2 24.78100014 37.84556961 1 57.28340149 0.79649299 0 142.22329712 OS-ECP GEN 60 4 6 ----- G POTENTIAL ----- -0.71941298 2 1.53260005 -11.78117943 2 4.08620024 -65.20819855 2 10.54440022 -124.69836426 2 28.97459984 -372.65100098 2 93.63200378 -50.55568314 1 314.22119141 8 ----- S-G POTENTIAL ----- -32.76930618 2 2.42689991 110.55011749 2 2.84459996 -222.00558472 2 3.78419995 473.63671875 2 5.72410011 -411.24047852 2 9.26539993 389.15637207 2 15.67440033 27.66662025 1 46.98600006 6.70742512 0 38.68320084 8 ----- P-G POTENTIAL ----- -33.74450302 2 1.98339999 107.94266510 2 2.31750011 -207.27871704 2 3.07459998 396.81192017 2 4.54629993 -384.67047119 2 7.13530016 398.63189697 2 11.63640022 26.76161575 1 33.21730041 9.74371719 0 28.84840012 8 ----- D-G POTENTIAL ----- -24.80944824 2 1.52030003 79.30261230 2 1.75339997 -148.69277954 2 2.25880003 251.07769775 2 3.16960001 -255.17108154 2 4.66480017 224.03025818 2 6.84849977 30.83857727 1 14.54829979 7.83259392 0 22.59539986 8 ----- F-G POTENTIAL ----- 90.39373016 2 1.94879997 -196.83497620 2 2.25889993 215.51077271 2 2.92580009 -153.25781250 2 4.02810001 101.81298828 2 5.84280014 103.32333374 2 18.53650093 29.86117363 1 50.93960190 0.96181101 0 4.61829996 IR-ECP GEN 60 4 6 ----- G POTENTIAL ----- -0.77600998 2 1.70930004 -12.55831528 2 4.47060013 -70.03989410 2 11.48029995 -133.59544373 2 32.14350128 -394.30059814 2 102.84519959 -51.70143127 1 348.19989014 8 ----- S-G POTENTIAL ----- -28.48190117 2 2.52270007 98.51782227 2 2.95079994 -206.84092712 2 3.92389989 457.16946411 2 5.92140007 -384.66342163 2 9.53390026 389.39016724 2 16.08679962 28.70732689 1 46.95880127 6.73599482 0 39.62530136 8 ----- P-G POTENTIAL ----- -32.93295670 2 2.18729997 108.04138947 2 2.54640007 -213.19577026 2 3.35279989 419.07299805 2 4.92460012 -382.39443970 2 7.71029997 340.84274292 2 12.32499981 51.53657913 1 33.08100128 5.29221916 0 63.94940186 8 ----- D-G POTENTIAL ----- -32.97980499 2 1.62119997 92.38909149 2 1.84819996 -168.03038025 2 2.43589997 302.14080811 2 3.48830009 -324.87911987 2 5.28469992 295.09466553 2 8.07320023 27.30807304 1 20.40609932 7.89976501 0 23.80649948 8 ----- F-G POTENTIAL ----- -62.39103699 2 1.69110000 210.25509644 2 1.98189998 -335.25369263 2 2.63700008 374.69042969 2 3.81979990 -257.36740112 2 5.81199980 215.63255310 2 9.10079956 34.77194977 1 21.42609978 4.84190178 0 35.98310089 PT-ECP GEN 60 4 6 ----- G POTENTIAL ----- -0.81254202 2 1.86479998 -13.05292892 2 4.83080006 -73.72098541 2 12.30449963 -141.17144775 2 34.86819839 -412.57824707 2 110.94640350 -52.72452545 1 378.44430542 8 ----- S-G POTENTIAL ----- -26.62452316 2 2.60910010 90.01412201 2 3.02920008 -193.86340332 2 4.04290009 432.62850952 2 6.07630014 -343.03793335 2 9.83839989 387.98568726 2 16.70409966 29.76094818 1 47.62310028 6.77873421 0 40.06890106 8 ----- P-G POTENTIAL ----- -30.37420082 2 2.31279993 102.49530029 2 2.68169999 -205.28015137 2 3.50119996 412.87677002 2 5.13490009 -373.50769043 2 8.00559998 355.23352051 2 12.87129974 34.39381027 1 35.53670120 5.90135813 0 36.64830017 8 ----- D-G POTENTIAL ----- -3.02787995 2 1.38300002 64.21149445 2 2.07049990 -146.10299683 2 2.49049997 266.61413574 2 3.67370009 -301.47027588 2 5.48519993 278.51043701 2 8.20989990 29.71852303 1 18.57180023 7.86891603 0 25.42099953 8 ----- F-G POTENTIAL ----- -63.38943481 2 1.86710000 215.72419739 2 2.20180011 -333.95880127 2 2.95210004 368.06796265 2 4.37239981 -242.79386902 2 6.78480005 233.02484131 2 11.02280045 43.59355164 1 27.73590088 4.53264999 0 54.84930038 AU-ECP GEN 60 4 6 ----- G POTENTIAL ----- -0.90820301 2 2.07069993 -13.97286034 2 5.28779984 -78.04593658 2 13.28610039 -150.67013550 2 38.22499847 -433.79324341 2 120.82949829 -53.92461777 1 415.27328491 8 ----- S-G POTENTIAL ----- -45.11843872 2 2.81620002 109.24782562 2 3.12030005 -184.75865173 2 4.16239977 436.13348389 2 6.38819981 -356.46279907 2 10.11999989 411.84240723 2 17.04649925 31.95258903 1 50.50329971 6.79167795 0 39.28239822 8 ----- P-G POTENTIAL ----- -30.62415695 2 2.41569996 101.11966705 2 2.79209995 -210.51446533 2 3.67700005 435.37313843 2 5.37360001 -396.14450073 2 8.36999989 368.87313843 2 13.32330036 31.59367371 1 37.15980148 5.83880520 0 37.42219925 8 ----- D-G POTENTIAL ----- -34.10911942 2 1.87390006 100.58750153 2 2.11870003 -172.30566406 2 2.69359994 290.82238770 2 3.81640005 -292.96429443 2 5.69740009 275.67791748 2 8.62959957 30.37005806 1 19.68020058 7.86203289 0 25.98660088 8 ----- F-G POTENTIAL ----- 40.06137466 2 1.43149996 -128.38630676 2 1.65450001 247.77139282 2 2.16300011 -342.54879761 2 3.08719993 359.27548218 2 4.65740013 -182.27494812 2 6.90420008 53.49130630 1 10.14780045 4.28036213 0 47.02579880 HG-ECP GEN 60 4 6 ----- G POTENTIAL ----- -0.94575602 2 2.26189995 -14.01616859 2 5.61199999 -81.47489166 2 14.06490040 -158.27243042 2 40.92689896 -451.69934082 2 129.16789246 -54.98525620 1 447.18978882 8 ----- S-G POTENTIAL ----- -25.16012001 2 2.83570004 91.19132233 2 3.29949999 -201.98194885 2 4.36730003 454.72329712 2 6.54479980 -358.64822388 2 10.36839962 429.54168701 2 17.26539993 35.77702332 1 46.42380142 6.85280085 0 41.91410065 8 ----- P-G POTENTIAL ----- -29.68764877 2 2.49449992 101.14541626 2 2.88730001 -208.31994629 2 3.77839994 427.21362305 2 5.53910017 -379.29605103 2 8.60260010 371.70361328 2 13.72500038 33.64100647 1 37.17200089 5.87053490 0 38.38690186 8 ----- D-G POTENTIAL ----- -29.97778702 2 1.86319995 93.63288879 2 2.15249991 -181.20259094 2 2.83509994 337.58990479 2 4.11339998 -357.07931519 2 6.33160019 342.55819702 2 10.02639961 27.91793060 1 26.72430038 7.87457609 0 28.09569931 8 ----- F-G POTENTIAL ----- 41.19937897 2 1.55799997 -132.28570557 2 1.81250000 259.85302734 2 2.40109992 -360.87664795 2 3.48460007 376.67376709 2 5.36180019 -186.24418640 2 8.20409966 56.03879929 1 12.02680016 4.22023201 0 55.55799866 TL-ECP GEN 68 4 6 ----- G POTENTIAL ----- -1.34873199 2 1.19519997 -12.12507439 2 2.89350009 -46.84831238 2 8.53639984 -132.31404114 2 21.11890030 -353.23205566 2 73.16239929 -54.14425659 1 234.84640503 8 ----- S-G POTENTIAL ----- -65.46195221 2 1.42610002 240.87666321 2 1.68320000 -300.68020630 2 2.26419997 289.12060547 2 3.31500006 -171.55366516 2 5.08090019 187.69178772 2 8.30179977 60.62091064 1 19.37890053 6.36612511 0 49.92959976 8 ----- P-G POTENTIAL ----- 0.73091602 2 0.41980001 -53.19742966 2 0.84420002 161.73655701 2 1.02310002 -195.76748657 2 1.37890005 123.94181061 2 1.79400003 -14.75779915 2 6.71549988 42.29591370 1 6.24790001 5.98279095 0 15.58320045 8 ----- D-G POTENTIAL ----- -0.18180600 2 0.45490000 -20.65077400 2 1.51230001 76.64604950 2 1.92780006 -154.50561523 2 2.64680004 277.98532104 2 3.99270010 -215.31889343 2 5.95480013 70.15950775 1 9.23589993 6.62988806 0 52.07260132 8 ----- F-G POTENTIAL ----- 33.37851334 2 0.31720001 -30.68026543 2 0.30720001 12.34751797 2 1.15460002 11.75374508 2 2.03200006 9.57233715 2 2.36389995 35.76709366 2 4.06909990 43.93479538 1 8.76599979 5.08869219 0 22.35759926 PB-ECP GEN 68 4 6 ----- G POTENTIAL ----- -1.41434395 2 1.30009997 -13.28021622 2 3.18720007 -54.13752747 2 9.54880047 -138.12661743 2 23.68409920 -376.41168213 2 81.04219818 -54.85811996 1 260.18218994 8 ----- S-G POTENTIAL ----- 45.00151825 2 1.05130005 -142.81721497 2 1.21360004 280.33993530 2 1.59290004 -305.93109131 2 2.27550006 275.88833618 2 3.41589999 -126.19586945 2 5.04549980 58.64039612 1 8.10179996 6.27654600 0 29.92939949 8 ----- P-G POTENTIAL ----- 0.19562900 2 0.34459999 -60.52689743 2 1.01220000 201.29090881 2 1.21469998 -254.73730469 2 1.65750003 231.82109070 2 2.40109992 -120.33583069 2 3.46830010 43.35644531 1 4.71899986 5.93558693 0 14.24479961 8 ----- D-G POTENTIAL ----- -1.35663700 2 0.88599998 49.74739456 2 2.42969990 -160.28633118 2 3.09030008 325.69772339 2 4.45060015 -339.07305908 2 6.85960007 199.77455139 2 10.51179981 40.33429718 1 8.92780018 7.63998222 0 30.41259956 8 ----- F-G POTENTIAL ----- 37.60541153 2 0.74299997 -24.43016624 2 0.93489999 -38.51657867 2 0.93709999 60.97928619 2 1.35049999 -10.03380680 2 2.45320010 52.05616760 2 3.99049997 39.91782379 1 8.44530010 5.47486877 0 19.77610016 BI-ECP GEN 68 4 6 ----- G POTENTIAL ----- -1.29633200 2 1.38310003 -13.97006321 2 3.38969994 -57.20818710 2 10.19880009 -141.80029297 2 25.27059937 -390.70785522 2 86.08190155 -55.54542160 1 277.96438599 8 ----- S-G POTENTIAL ----- 55.90422821 2 1.12539995 -171.26004028 2 1.28199995 297.29568481 2 1.64119995 -320.79031372 2 2.34890008 287.28314209 2 3.33470011 -104.22640228 2 4.86899996 56.34839249 1 8.19460011 6.48098993 0 25.78339958 8 ----- P-G POTENTIAL ----- 0.03434800 2 0.20800000 -56.08747101 2 1.11570001 164.21267700 2 1.28740001 -197.05456543 2 1.77660000 155.65385437 2 2.40019989 -55.68730927 2 4.85920000 50.05516815 1 6.06729984 5.74898911 0 20.30240059 8 ----- D-G POTENTIAL ----- -49.14233017 2 1.70360005 117.17475128 2 2.04159999 -186.97654724 2 2.95609999 353.28527832 2 4.60300016 -373.14822388 2 7.35540009 379.30261230 2 12.00380039 29.70112038 1 30.31959915 7.84041214 0 34.39179993 8 ----- F-G POTENTIAL ----- 104.19187927 2 0.59480000 -218.21029663 2 0.69040000 220.57954407 2 0.89520001 -170.08029175 2 1.24119997 108.73613739 2 1.67270005 46.86751938 2 4.99800014 42.52275085 1 9.57050037 5.20974779 0 20.95170021 PO-ECP GEN 68 4 6 ----- G POTENTIAL ----- -1.45787299 2 1.51339996 -14.71360588 2 3.67219996 -62.38053894 2 11.04430008 -147.98703003 2 27.63310051 -416.04962158 2 94.03929901 -56.73604202 1 308.29211426 8 ----- S-G POTENTIAL ----- -30.03038788 2 0.83230001 96.16854858 2 0.94760001 -181.03051758 2 1.20280004 305.07928467 2 1.66719997 -303.26153564 2 2.41849995 193.48907471 2 3.38520002 59.07072830 1 11.98690033 6.37750721 0 38.50559998 8 ----- P-G POTENTIAL ----- -22.48581886 2 0.65499997 71.35298157 2 0.73460001 -130.56465149 2 0.90689999 214.88987732 2 1.21190000 -221.69078064 2 1.68499994 143.38671875 2 2.27480006 45.49112320 1 8.02330017 6.19466209 0 19.25239944 8 ----- D-G POTENTIAL ----- -7.33783579 2 0.76300001 25.26849174 2 0.88559997 -52.30345917 2 1.14789999 87.85886383 2 1.61360002 -140.93832397 2 2.38429999 145.23880005 2 3.38560009 28.62387466 1 15.32299995 7.73479319 0 13.38679981 8 ----- F-G POTENTIAL ----- 9.20586109 2 0.69440001 -28.85299873 2 0.78090000 52.88306808 2 0.96869999 -85.14630890 2 1.28680003 124.28939819 2 1.77709997 -116.73908997 2 2.38439989 38.18548203 1 2.82629991 5.00899792 0 14.08730030 AT-ECP GEN 68 4 6 ----- G POTENTIAL ----- -0.31176600 2 0.03180000 -0.73071098 2 0.18099999 -2.97282290 2 1.08060002 -32.68309402 2 4.99060011 -164.79605103 2 20.39839935 -51.18941498 1 81.91079712 8 ----- S-G POTENTIAL ----- 0.00341100 2 0.00200000 0.30304900 2 0.03100000 0.69335699 2 0.17010000 41.97618484 2 1.76409996 58.09056473 2 5.54829979 3.23042393 2 9.53069973 38.14316940 1 10.47630024 7.18064022 0 15.64519978 8 ----- P-G POTENTIAL ----- 0.31012201 2 0.03170000 0.71845901 2 0.17670000 55.89923096 2 1.51250005 -49.86803818 2 2.18499994 75.92673492 2 3.99130011 -0.51495600 2 4.55789995 51.50535202 1 11.17259979 5.78414392 0 31.24390030 8 ----- D-G POTENTIAL ----- 0.31432700 2 0.03190000 0.79817301 2 0.19059999 12.21004009 2 1.82609999 -38.19544220 2 2.64429998 113.45125580 2 4.57380009 -32.16876984 2 8.54640007 69.49798584 1 16.26619911 7.07968616 0 67.92829895 8 ----- F-G POTENTIAL ----- 0.36805499 2 0.03780000 1.64947903 2 0.18050000 14.43013954 2 0.92019999 17.18401146 2 2.18230009 94.00454712 2 3.96090007 -110.99547577 2 5.98220015 81.44644165 1 5.49179983 9.42089081 0 0.08980000 RN-ECP GEN 68 4 6 ----- G POTENTIAL ----- -1.11443496 2 1.65950000 -17.17100143 2 4.21479988 -74.57586670 2 13.02740002 -161.65777588 2 33.21269989 -466.10955811 2 111.38510132 -59.22294235 1 373.93679810 8 ----- S-G POTENTIAL ----- 0.00817300 2 0.02280000 23.55170059 2 1.46410000 146.60008240 2 1.70050001 -114.77574158 2 1.52970004 -23.55697250 2 3.63899994 74.31896973 2 8.39480019 31.09328651 1 8.56000042 7.87248802 0 20.74449921 8 ----- P-G POTENTIAL ----- 0.05306900 2 0.26650000 -54.25381851 2 1.38469994 240.12178040 2 1.69739997 -300.78848267 2 2.25480008 261.49554443 2 3.34669995 -114.78035736 2 4.87270021 52.48627472 1 8.12670040 5.68981314 0 26.43040085 8 ----- D-G POTENTIAL ----- -56.26292419 2 2.29049993 148.12635803 2 2.72210002 -236.51480103 2 3.67820001 425.46905518 2 5.54939985 -427.86010742 2 8.97550011 468.46737671 2 15.54349995 29.30323219 1 47.95439911 7.79323196 0 40.16630173 8 ----- F-G POTENTIAL ----- 2.29281402 2 0.15279999 13.14621830 2 0.58080000 0.83706897 2 1.35189998 49.71719360 2 1.98010004 4.64372921 2 2.03579998 147.32864380 2 4.89839983 99.77916718 1 10.49590015 7.89272690 0 22.45910072 FR-ECP GEN 78 4 6 ----- G POTENTIAL ----- -0.89879203 2 0.88870001 -10.09708691 2 2.02189994 -31.60297394 2 4.90730000 -120.95409393 2 15.12580013 -265.95950317 2 45.64889908 -57.15474319 1 138.01640320 8 ----- S-G POTENTIAL ----- -33.04865646 2 0.91130000 99.33948517 2 1.05540001 -183.16125488 2 1.38150001 331.93963623 2 1.99930000 -353.79605103 2 3.06850004 270.63644409 2 4.69530010 30.28211212 1 14.47799969 11.24650669 0 12.93210030 8 ----- P-G POTENTIAL ----- -78.13166809 2 1.47309995 278.22503662 2 1.79939997 -349.11547852 2 2.51900005 318.36791992 2 3.78139997 -181.44857788 2 5.86429977 183.82826233 2 9.54720020 51.52063751 1 20.55660057 5.67256212 0 45.63219833 8 ----- D-G POTENTIAL ----- -53.33285141 2 0.91380000 183.93737793 2 1.06050003 -259.36651611 2 1.39680004 260.49545288 2 2.00209999 -166.65827942 2 3.00699997 140.39550781 2 4.65070009 66.17495728 1 13.49240017 7.23944521 0 41.66809845 8 ----- F-G POTENTIAL ----- -11.07681656 2 1.07920003 46.05147552 2 1.40100002 -97.47564697 2 1.89979994 180.38792419 2 2.86960006 -262.32742310 2 4.46210003 297.45623779 2 7.10710001 27.28302383 1 21.98730087 9.93384647 0 19.46669960 RA-ECP GEN 78 4 6 ----- G POTENTIAL ----- -1.14673400 2 1.02110004 -12.07713222 2 2.33030009 -35.34965134 2 5.71700001 -135.56118774 2 17.22739983 -295.28918457 2 53.49580002 -58.24514008 1 161.11909485 8 ----- S-G POTENTIAL ----- -25.06594467 2 0.78680003 81.25407410 2 0.94749999 -164.93606567 2 1.31900001 336.00671387 2 2.06419992 -412.40322876 2 3.47370005 435.14797974 2 6.25019979 39.21112061 1 23.50049973 15.50083256 0 19.61120033 8 ----- P-G POTENTIAL ----- -73.69863892 2 1.58039999 280.92184448 2 1.94050002 -357.36761475 2 2.70449996 335.35665894 2 4.08209991 -183.73077393 2 6.39729977 195.09538269 2 10.23750019 45.13964462 1 18.74060059 7.23854303 0 33.47719955 8 ----- D-G POTENTIAL ----- -53.52696228 2 1.00759995 190.84431458 2 1.17990005 -261.43304443 2 1.56289995 258.68441772 2 2.27600002 -159.79736328 2 3.43030000 136.84912109 2 5.27850008 56.20154953 1 12.86940002 7.48619318 0 30.29739952 8 ----- F-G POTENTIAL ----- -1.44440401 2 0.85030001 34.48142242 2 1.72609997 -96.37539673 2 2.19359994 186.22872925 2 3.27309990 -263.07485962 2 5.12659979 323.78308105 2 8.45429993 27.88471031 1 26.79529953 9.85942745 0 22.44179916 AC-ECP GEN 78 4 6 ----- G POTENTIAL ----- -1.20669997 2 1.11780000 -12.14964867 2 2.49180007 -36.28235626 2 5.99900007 -139.70959473 2 18.06710052 -308.30279541 2 56.65689850 -58.80256653 1 171.80650330 8 ----- S-G POTENTIAL ----- -22.83414078 2 0.97649997 85.36679077 2 1.16690004 -184.32901001 2 1.54069996 361.85287476 2 2.26390004 -391.65957642 2 3.54769993 311.78582764 2 5.63149977 31.91579056 1 16.93210030 11.15847778 0 15.99460030 8 ----- P-G POTENTIAL ----- 41.84874725 2 1.28699994 -150.01193237 2 1.48230004 335.78051758 2 1.94239998 -384.57653809 2 2.79509997 335.67944336 2 4.23729992 -153.28929138 2 6.32700014 59.26359940 1 9.92879963 5.42515993 0 36.35929871 8 ----- D-G POTENTIAL ----- 43.26000214 2 0.75120002 -138.38842773 2 0.86790001 263.83312988 2 1.12769997 -327.39425659 2 1.58729994 305.68560791 2 2.32139993 -145.50318909 2 3.33249998 48.99058914 1 4.73500013 7.83579922 0 15.27309990 8 ----- F-G POTENTIAL ----- -2.29345989 2 0.99159998 34.95658493 2 1.79879999 -103.22103882 2 2.35899997 202.08523560 2 3.49049997 -281.09320068 2 5.48509979 342.86886597 2 8.97290039 27.73361969 1 27.43889999 9.87891960 0 23.89990044 TH-ECP GEN 78 4 6 ----- G POTENTIAL ----- -1.18738997 2 1.20299995 -12.30656910 2 2.65759993 -36.65875244 2 6.24800014 -139.81327820 2 18.62809944 -305.43923950 2 57.40290070 -58.70189667 1 172.54620361 8 ----- S-G POTENTIAL ----- -24.04182243 2 0.90810001 78.38962555 2 1.07920003 -161.65811157 2 1.47860003 328.75106812 2 2.26749992 -374.78945923 2 3.71530008 391.01895142 2 6.41309977 35.13041687 1 21.16460037 15.77670383 0 17.85589981 8 ----- P-G POTENTIAL ----- 45.82766724 2 1.26510000 -167.06277466 2 1.49430001 368.67584229 2 2.00500011 -433.55191040 2 2.97460008 400.28353882 2 4.72440004 -169.12930298 2 7.69339991 85.87816620 1 12.33460045 8.52397919 0 51.79029846 8 ----- D-G POTENTIAL ----- 29.37446976 2 0.78079998 -120.37606049 2 0.93570000 259.13232422 2 1.21609998 -321.52166748 2 1.72160006 304.66244507 2 2.54830003 -143.89175415 2 3.69059992 51.10453033 1 5.41249990 7.74334002 0 17.09110069 8 ----- F-G POTENTIAL ----- -21.65902138 2 1.41310000 65.11306000 2 1.74030006 -122.52014923 2 2.43449998 218.33807373 2 3.69120002 -291.18447876 2 5.90170002 367.08728027 2 9.87790012 28.42512512 1 30.56329918 9.84213829 0 26.41230011 PA-ECP GEN 78 4 6 ----- G POTENTIAL ----- -1.13092303 2 1.27950001 -12.63854885 2 2.83470011 -37.00111771 2 6.52720022 -139.85595703 2 19.20420074 -306.96585083 2 58.46409988 -59.04650879 1 176.57690430 8 ----- S-G POTENTIAL ----- -24.29222107 2 0.96829998 80.66983032 2 1.14800000 -165.70108032 2 1.55799997 329.73165894 2 2.36789989 -360.00137329 2 3.83089995 372.31121826 2 6.47319984 33.68949509 1 20.25769997 15.89577580 0 17.12579918 8 ----- P-G POTENTIAL ----- 57.45444107 2 1.38759995 -192.87774658 2 1.61860001 420.92343140 2 2.17269993 -519.91271973 2 3.20580006 509.81158447 2 5.03020000 -216.13882446 2 7.85659981 96.05680847 1 13.11429977 9.86869431 0 54.46849823 8 ----- D-G POTENTIAL ----- 29.77106667 2 0.85420001 -151.98701477 2 1.03989995 298.67770386 2 1.29579997 -310.10202026 2 1.82229996 295.44259644 2 2.77440000 -152.87329102 2 3.91989994 52.50298691 1 5.65369987 7.72490215 0 17.96859932 8 ----- F-G POTENTIAL ----- -32.19529724 2 1.62249994 88.89807892 2 1.94340003 -149.84609985 2 2.66190004 249.73576355 2 3.99289989 -320.78536987 2 6.34350014 394.20562744 2 10.56330013 28.40286064 1 32.51839828 9.84354782 0 28.10650063 U-ECP GEN 78 4 7 ----- G POTENTIAL ----- -0.95164698 2 1.22290003 -10.77463818 2 2.67100000 -33.54887009 2 6.10900021 -122.39160919 2 17.91930008 -256.04879761 2 49.88119888 -721.33471680 2 169.55189514 -75.18030548 1 605.90167236 9 ----- S-G POTENTIAL ----- 86.94699860 2 2.08200002 -324.48245239 2 2.36159992 754.80963135 2 3.04959989 -931.61145020 2 4.28889990 867.38934326 2 6.36810017 -567.78674316 2 9.73639965 467.56951904 2 15.35929966 87.23509216 1 43.85210037 6.00922394 0 131.51210022 9 ----- P-G POTENTIAL ----- 109.52915955 2 1.55610001 -372.34240723 2 1.77209997 760.67779541 2 2.25839996 -945.12261963 2 3.09450006 906.44946289 2 4.51030016 -618.62194824 2 6.71129990 434.29833984 2 10.01770020 96.91146851 1 28.29829979 8.63370800 0 89.10600281 9 ----- D-G POTENTIAL ----- 98.69554901 2 1.03709996 -348.77438354 2 1.17840004 647.68463135 2 1.44579995 -796.75195312 2 1.91680002 775.70019531 2 2.65330005 -576.68280029 2 3.74600005 328.07855225 2 5.03719997 70.24051666 1 15.92879963 7.22914982 0 48.05899811 9 ----- F-G POTENTIAL ----- -0.77639502 2 0.90359998 64.14081573 2 2.84689999 -301.19494629 2 3.67079997 617.67492676 2 4.89400005 -840.64794922 2 7.39130020 1010.84838867 2 11.65960026 -503.98593140 2 18.25749969 116.52574158 1 28.92289925 8.05050755 0 137.56460571 NP-ECP GEN 78 4 7 ----- G POTENTIAL ----- -0.59611499 2 1.16480005 -8.56580639 2 2.50749993 -30.77449989 2 5.64090013 -101.92440033 2 16.30699921 -227.16531372 2 42.56740189 -631.36932373 2 143.51150513 -71.25617981 1 490.29238892 9 ----- S-G POTENTIAL ----- 163.53736877 2 2.21970010 -407.81634521 2 2.41639996 733.90496826 2 3.12549996 -892.30194092 2 4.42549992 787.23022461 2 6.40640020 -517.18475342 2 10.66429996 524.23852539 2 16.00900078 98.42464447 1 49.05659866 5.98039103 0 168.13330078 9 ----- P-G POTENTIAL ----- 115.25938416 2 1.61839998 -379.42489624 2 1.83500004 740.25213623 2 2.32730007 -907.79357910 2 3.19989991 882.03515625 2 4.62799978 -598.22576904 2 6.85830021 426.77703857 2 10.20699978 97.61193085 1 28.45260048 8.64615154 0 89.37139893 9 ----- D-G POTENTIAL ----- 126.47127533 2 1.11280000 -397.60015869 2 1.25590003 716.23443604 2 1.56729996 -891.56164551 2 2.11560011 872.76300049 2 3.01139998 -641.78558350 2 4.34480000 368.73754883 2 6.03599977 76.54608917 1 19.41950035 7.11474991 0 62.30830002 9 ----- F-G POTENTIAL ----- -0.98151898 2 0.98909998 41.70447922 2 2.71499991 -261.12640381 2 3.74250007 560.24981689 2 4.93669987 -803.19482422 2 7.59490013 1050.93518066 2 11.83139992 -540.55218506 2 17.86820030 114.44293976 1 28.38409996 8.04148579 0 130.11839294 PU-ECP GEN 78 4 7 ----- G POTENTIAL ----- -0.88483602 2 1.31490004 -10.61913300 2 2.85489988 -33.61550522 2 6.45160007 -120.75714111 2 18.74729919 -256.49505615 2 51.15800095 -725.57281494 2 173.26420593 -75.82495117 1 617.64038086 9 ----- S-G POTENTIAL ----- 88.92472839 2 2.21939993 -330.37750244 2 2.51889992 750.95227051 2 3.23670006 -908.51391602 2 4.51700020 873.33062744 2 6.62480021 -567.66186523 2 10.00730038 466.55908203 2 15.32999992 83.55030060 1 39.74290085 6.17316198 0 107.35160065 9 ----- P-G POTENTIAL ----- 151.63360596 2 1.64100003 -307.76840210 2 1.78100002 556.88562012 2 2.42759991 -860.99200439 2 3.38750005 879.28405762 2 4.67859983 -487.93322754 2 6.86380005 359.29550171 2 10.95189953 99.86724854 1 29.43799973 8.64875412 0 93.42259979 9 ----- D-G POTENTIAL ----- 118.47415161 2 1.15670002 -396.36349487 2 1.31159997 706.21350098 2 1.61979997 -875.85577393 2 2.19190001 863.94415283 2 3.07089996 -574.99090576 2 4.36579990 318.59259033 2 6.33850002 79.30906677 1 20.19569969 7.11830807 0 67.26270294 9 ----- F-G POTENTIAL ----- -1.48127198 2 1.11049998 162.76635742 2 2.80390000 -264.43045044 2 3.11529994 369.88125610 2 5.01070023 -704.01580811 2 7.77769995 971.67071533 2 11.78960037 -443.89147949 2 17.65460014 108.53334045 1 29.48049927 8.09724331 0 120.29889679 AM-ECP GEN 78 4 6 ----- G POTENTIAL ----- -1.17866504 2 1.44700003 -13.27001476 2 3.21869993 -39.10317993 2 7.59910011 -155.02056885 2 22.65139961 -354.33300781 2 71.29299927 -61.31810379 1 220.40229797 8 ----- S-G POTENTIAL ----- -28.39175415 2 1.09730005 84.97696686 2 1.29470003 -171.02401733 2 1.80130005 357.06427002 2 2.78760004 -387.68786621 2 4.60900021 441.84158325 2 8.16489983 35.83626938 1 26.83819962 15.82378292 0 21.21400070 8 ----- P-G POTENTIAL ----- 64.26541138 2 1.70260000 -210.60380554 2 1.94879997 442.71279907 2 2.54539990 -492.18869019 2 3.65510011 437.84417725 2 5.55019999 -168.01190186 2 8.03429985 70.56053925 1 14.14560032 6.54860497 0 48.91350174 8 ----- D-G POTENTIAL ----- 28.79652405 2 0.92580003 -105.51664734 2 1.11629999 221.98576355 2 1.49710000 -264.26501465 2 2.19849992 261.34280396 2 3.37220001 -110.51098633 2 5.19850016 57.14907837 1 7.96210003 7.61405420 0 24.13820076 8 ----- F-G POTENTIAL ----- -2.47670388 2 1.24930000 37.72669983 2 2.41829991 -114.31232452 2 3.24990010 236.72572327 2 4.97840023 -310.35437012 2 8.13679981 466.90872192 2 14.51039982 30.38970375 1 44.86399841 9.76973534 0 38.13169861 CM-ECP GEN 78 4 6 ----- G POTENTIAL ----- -1.27089500 2 1.54879999 -13.83742809 2 3.41910005 -40.88765335 2 8.07050037 -160.03480530 2 23.85969925 -364.42514038 2 75.01390076 -61.78550720 1 231.42030334 8 ----- S-G POTENTIAL ----- -26.33760071 2 1.15559995 85.68217468 2 1.37430000 -174.58818054 2 1.88199997 355.67098999 2 2.89520001 -370.72149658 2 4.74020004 423.92636108 2 8.27089977 35.04350281 1 25.20420074 15.92432594 0 21.01460075 8 ----- P-G POTENTIAL ----- -35.03964233 2 1.12440002 113.44233704 2 1.29729998 -223.71525574 2 1.68669999 424.26696777 2 2.41960001 -484.90432739 2 3.68249989 375.64773560 2 5.54580021 33.73357773 1 17.95700073 11.89339828 0 16.02359962 8 ----- D-G POTENTIAL ----- 39.77001572 2 1.00460005 -126.65122223 2 1.18710005 255.05882263 2 1.60969996 -305.24252319 2 2.36179996 300.05279541 2 3.64210010 -129.08760071 2 5.57789993 60.35084152 1 8.67679977 7.49130201 0 27.02840042 8 ----- F-G POTENTIAL ----- -2.70642400 2 1.30649996 37.51979065 2 2.45950007 -111.37210846 2 3.30599999 228.42926025 2 5.06689978 -297.12841797 2 8.23499966 458.37960815 2 14.63000011 30.03723907 1 44.62329864 9.80161095 0 37.61240005 BK-ECP GEN 78 4 6 ----- G POTENTIAL ----- -1.91033494 2 1.77400005 -18.14081764 2 4.02939987 -49.25227356 2 9.97329998 -186.21107483 2 28.40850067 -442.21273804 2 94.63580322 -64.78657532 1 300.05819702 8 ----- S-G POTENTIAL ----- 52.19206619 2 1.79050004 -186.36035156 2 2.20539999 92.78298950 2 3.21810007 334.95520020 2 3.21900010 -465.58764648 2 5.33370018 553.61657715 2 10.14509964 29.15875244 1 23.30200005 16.74713707 0 31.06459999 8 ----- P-G POTENTIAL ----- 51.22914124 2 1.84089994 -181.65086365 2 2.15310001 443.10906982 2 2.89759994 -565.48089600 2 4.39190006 596.35418701 2 7.07049990 -236.82652283 2 11.38609982 111.00143433 1 19.07290077 9.82366085 0 78.96360016 8 ----- D-G POTENTIAL ----- 38.53779602 2 1.07249999 -128.37193298 2 1.27520001 265.80664062 2 1.72510004 -312.57681274 2 2.52390003 306.93249512 2 3.89089990 -127.93990326 2 5.89279985 61.20502853 1 9.33549976 7.49189091 0 28.41810036 8 ----- F-G POTENTIAL ----- -2.38182592 2 1.33210003 37.63102341 2 2.63820004 -112.93108368 2 3.53020000 235.85006714 2 5.43610001 -315.54455566 2 8.95960045 493.09857178 2 15.72469997 30.15993309 1 45.85969925 9.81385136 0 41.15259933 CF-ECP GEN 78 4 7 ----- G POTENTIAL ----- -0.50920300 2 1.32210000 -9.07029400 2 2.92840000 -29.63190800 2 6.41590000 -111.32206800 2 19.52750000 -244.55761100 2 51.35090000 -672.99549100 2 167.52470000 -74.28296700 1 569.31110000 9 ----- S-G POTENTIAL ----- 21.62913500 2 0.93910000 -67.09482600 2 1.08970000 127.61074100 2 1.44430000 -228.94999900 2 2.07840000 437.43743300 2 3.22430000 -441.10959600 2 5.27740000 399.18011600 2 8.85700000 34.14127600 1 27.07710000 11.14332800 0 22.79630000 9 ----- P-G POTENTIAL ----- 71.30982000 2 1.88630000 -230.91244300 2 2.14750000 472.57515100 2 2.76880000 -510.34304900 2 3.88500000 457.48940600 2 5.72820000 -256.23917600 2 8.60310000 230.53828700 2 13.28650000 53.28375400 1 25.65160000 5.88097000 0 50.66700000 9 ----- D-G POTENTIAL ----- 14.96793200 2 0.85760000 -59.47505800 2 1.07280000 142.76761100 2 1.49290000 -170.05118600 2 2.22650000 191.19231900 2 3.52560000 -73.97872400 2 5.70040000 160.67285600 2 10.19010000 75.74962100 1 23.38290000 7.24240600 0 64.85440000 9 ----- F-G POTENTIAL ----- -0.04242600 2 0.45060000 -29.36593300 2 2.07730000 87.08696600 2 2.57030000 -156.04595400 2 3.63740000 276.89875500 2 5.70240000 -341.93556900 2 9.59750000 542.38237200 2 17.74720000 30.75042700 1 66.24380000 9.69840400 0 42.51790000 ES-ECP GEN 78 4 7 ----- G POTENTIAL ----- -0.45818400 2 1.35410000 -9.00220400 2 3.00010000 -29.71855200 2 6.55930000 -101.17071200 2 19.02420000 -230.26446300 2 47.81840000 -618.85299200 2 153.30990000 -72.00591200 1 504.42180000 9 ----- S-G POTENTIAL ----- 17.09536100 2 0.81800000 -56.04752700 2 0.97270000 109.28520300 2 1.32060000 -199.28535900 2 1.97060000 400.30958600 2 3.19470000 -427.84875200 2 5.45380000 528.01247900 2 10.13670000 37.07364000 1 33.62150000 15.83560400 0 26.58400000 9 ----- P-G POTENTIAL ----- 25.22753800 2 1.96650000 -148.67405600 2 2.42100000 472.02380800 2 3.14050000 -568.03652400 2 4.35720000 518.45746600 2 6.54010000 -232.01240200 2 9.44610000 218.09704700 2 16.15740000 51.48757400 1 25.87210000 7.28006400 0 46.89340000 9 ----- D-G POTENTIAL ----- 17.32041900 2 0.94280000 -73.97994700 2 1.18290000 177.99999000 2 1.61710000 -215.93671700 2 2.38830000 236.61384300 2 3.71790000 -106.48686300 2 5.93980000 187.28734700 2 10.46410000 83.46146000 1 26.04500000 7.12972200 0 79.43010000 9 ----- F-G POTENTIAL ----- -3.33437500 2 1.47340000 -0.01647900 2 0.35520000 14.33312900 2 2.32710000 -91.47424900 2 4.13940000 257.58622300 2 6.04900000 -329.91314100 2 9.76870000 534.66465600 2 17.97760000 30.30674700 1 57.46590000 9.78402800 0 44.99410000 FM-ECP GEN 78 4 7 ----- G POTENTIAL ----- -0.47688000 2 1.42430000 -9.65045800 2 3.17420000 -31.30027100 2 7.00880000 -108.16796700 2 20.20240000 -243.55068400 2 51.52010000 -663.75837400 2 166.90980000 -74.39602700 1 562.63360000 9 ----- S-G POTENTIAL ----- 17.87223800 2 0.87420000 -58.17970100 2 1.03500000 113.69274400 2 1.39850000 -205.06756000 2 2.06460000 405.87689800 2 3.32320000 -422.15193400 2 5.61920000 530.60000900 2 10.33550000 165.32947800 1 37.46630000 13.47422800 0 144.00430000 9 ----- P-G POTENTIAL ----- 92.70574700 2 2.02780000 -283.98005500 2 2.31600000 546.13950200 2 3.02940000 -625.89357300 2 4.47760000 617.95587100 2 6.83090000 -377.51243100 2 10.41650000 343.99956200 2 16.20760000 47.20514000 1 30.00850000 7.31947100 0 47.74710000 9 ----- D-G POTENTIAL ----- 31.17025000 2 1.04880000 -104.39544300 2 1.26010000 219.99891800 2 1.72800000 -262.30912400 2 2.56680000 278.67403100 2 4.03910000 -127.09169800 2 6.52610000 217.19310000 2 11.73980000 87.75571000 1 29.48860000 7.09124900 0 91.70940000 9 ----- F-G POTENTIAL ----- 8.95198300 2 0.98420000 -9.83934500 2 0.99150000 14.61701500 2 2.76910000 -83.21524500 2 4.14380000 235.60780200 2 6.18970000 -294.49790500 2 9.82350000 516.19121300 2 18.50570000 30.71112400 1 53.52900000 9.82504800 0 47.11880000 MD-ECP GEN 78 4 7 ----- G POTENTIAL ----- -0.51814700 2 1.50940000 -10.51159500 2 3.38370000 -33.23359800 2 7.54660000 -116.77515500 2 21.72690000 -253.26612500 2 55.66500000 -694.26614500 2 178.88520000 -76.10875900 1 608.24480000 9 ----- S-G POTENTIAL ----- 18.06563900 2 0.81010000 -57.84703200 2 0.97250000 113.30017400 2 1.35230000 -207.97640500 2 2.06400000 437.42790100 2 3.47400000 -486.45306200 2 6.14040000 660.98754900 2 12.39910000 112.82283700 1 39.11420000 13.79204100 0 79.46650000 9 ----- P-G POTENTIAL ----- 74.34499200 2 2.07640000 -243.08395400 2 2.38750000 510.48954500 2 3.12940000 -544.82365000 2 4.48550000 474.39257800 2 6.76630000 -251.89443100 2 10.43670000 274.94329800 2 16.85480000 50.25319500 1 31.48850000 5.96598200 0 54.97700000 9 ----- D-G POTENTIAL ----- 34.71207500 2 1.13150000 -114.24942600 2 1.35270000 241.00749800 2 1.85180000 -285.59445100 2 2.73360000 299.67349400 2 4.27640000 -140.45565500 2 6.86270000 224.20521000 2 12.05000000 86.75264600 1 29.69270000 7.10513000 0 89.15490000 9 ----- F-G POTENTIAL ----- 8.44654700 2 1.09800000 -9.54148000 2 1.10570000 37.48604200 2 3.12310000 -92.11651700 2 3.91890000 219.07771500 2 6.59970000 -302.16148200 2 10.76900000 552.61173700 2 19.90430000 28.37933700 1 64.41130000 9.84948500 0 46.46340000 NO-ECP GEN 78 4 6 ----- G POTENTIAL ----- -1.75959897 2 2.02789998 -19.19492912 2 4.57170010 -50.64709091 2 11.58650017 -200.09509277 2 33.05160141 -486.48617554 2 110.28289795 -67.62830353 1 356.88180542 7 ----- S-G POTENTIAL ----- -5.24792719 2 0.94800001 53.06208420 2 1.45229995 -117.28907776 2 1.93630004 306.65054321 2 3.56380010 -331.41055298 2 6.03779984 128.60786438 1 9.50010014 12.21696186 0 49.94449997 8 ----- P-G POTENTIAL ----- -38.58179855 2 1.48730004 127.71244049 2 1.71399999 -256.02554321 2 2.21630001 525.35491943 2 3.18919992 -633.99108887 2 4.90679979 508.19781494 2 7.49809980 36.28185272 1 24.33909988 11.82044506 0 21.45919991 8 ----- D-G POTENTIAL ----- 42.61248398 2 1.21459997 -141.19110107 2 1.45009995 286.28744507 2 1.97140002 -338.34857178 2 2.94039989 343.32589722 2 4.58269978 -140.28236389 2 7.18160009 66.82376099 1 11.16399956 7.40976000 0 34.78409958 7 ----- F-G POTENTIAL ----- 0.17846601 2 1.18110001 -0.33072501 2 0.78350002 -67.09947968 2 5.19530010 216.27134705 2 6.89720011 -237.39591980 2 11.00150013 104.37260437 1 17.62080002 8.08529472 0 102.36190033 LR-ECP GEN 78 4 6 ----- G POTENTIAL ----- -1.44170296 2 2.02850008 -15.03919792 2 4.39300013 -39.65955353 2 9.83810043 -161.56266785 2 28.35020065 -360.18804932 2 82.61139679 -62.81684494 1 250.89920044 8 ----- S-G POTENTIAL ----- 49.13726425 2 2.16720009 -191.04298401 2 2.72460008 209.44651794 2 4.01079988 260.47091675 2 4.01510000 -488.95681763 2 6.69960022 658.06842041 2 13.21790028 43.20983887 1 36.08919907 15.95556164 0 40.45830154 8 ----- P-G POTENTIAL ----- -7.35526609 2 1.34739995 28.43832397 2 1.55369997 -66.70023346 2 2.02690005 186.59317017 2 3.07389998 -142.15013123 2 5.02370024 190.02313232 2 8.87870026 43.40534973 1 20.10149956 7.59309292 0 27.58690071 8 ----- D-G POTENTIAL ----- 35.04140091 2 1.19560003 -113.56825256 2 1.42390001 235.13388062 2 1.93990004 -271.48348999 2 2.83879995 282.18148804 2 4.37580013 -105.98326874 2 6.63329983 59.50698853 1 10.27820015 7.74769497 0 28.45750046 7 ----- F-G POTENTIAL ----- -9.85134220 2 2.03099990 60.02737427 2 2.98690009 -125.03877258 2 4.02019978 224.62619019 2 6.56209993 -251.34989929 2 11.02750015 106.51850891 1 17.35169983 8.20704937 0 109.06250000 Stuttgart RLC ECP 2239 ! ! BASIS="Stuttgart RLC ECP" !Elements References !-------- ---------- !Li - Be: P. Fuentealba, H. Preuss, H. Stoll, L. v. Szentpaly, Chem. Phys. Lett. ! !Na 89, 418 (1982). !B - Ne: A. Bergner, M. Dolg, W. Kuechle, H. Stoll, H. Preuss, Mol. Phys. 80, ! 1431 (1993). !Mg : P. Fuentealba, L. v. Szentpaly, H. Preuss, H. Stoll, J. Phys. B 18, ! 1287 (1985). !Al : G. Igel-Mann, H. Stoll, H. Preuss, Mol. Phys. 65, 1321 (1988). !Hg - Rn: W. Kuechle, M. Dolg, H. Stoll, H. Preuss, Mol. Phys. 74, 1245 (1991). ! LITHIUM ! (4s,4p)->[2s,2p] S 3 1 3.047327000 0.6555000000E-02 2 0.6035790000 -0.1404010000 3 0.6913800000E-01 0.6237560000 S 1 1 0.2650200000E-01 1.000000000 P 3 1 0.8371580000 0.4350700000E-01 2 0.1719410000 0.2296490000 3 0.5207900000E-01 0.5629490000 P 1 1 0.1917200000E-01 1.000000000 BERYLLIUM ! (4s,4p)->[2s,2p] S 3 1 1.110644300 -0.1718890000 2 0.3714650000 0.1291580000 3 0.1326780000 0.6148590000 S 1 1 0.4775100000E-01 1.000000000 P 3 1 2.884577700 0.3152500000E-01 2 0.7801440000 0.1438880000 3 0.2200610000 0.4846120000 P 1 1 0.6640700000E-01 1.000000000 BORON ! (4s,4p)->[2s,2p] S 3 1 1.690560000 -0.2722080000 2 0.9836660000 0.2011280000 3 0.2569790000 0.5777630000 S 1 1 0.9503800000E-01 1.000000000 P 3 1 5.399913000 0.3494100000E-01 2 1.271217000 0.1868340000 3 0.3619090000 0.4684630000 P 1 1 0.1076610000 1.000000000 CARBON ! (4s,4p)->[2s,2p] S 3 1 2.263101000 0.4965480000 2 1.773186000 -0.4223910000 3 0.4086190000 -0.5993560000 S 1 1 0.1391750000 1.000000000 P 3 1 8.383025000 -0.3854400000E-01 2 1.993132000 -0.2031850000 3 0.5595430000 -0.4981760000 P 1 1 0.1561260000 1.000000000 NITROGEN ! (4s,4p)->[2s,2p] S 3 1 32.65683900 -0.1379400000E-01 2 4.589189000 0.1291290000 3 0.7062510000 -0.5680940000 S 1 1 0.2163990000 1.000000000 P 3 1 12.14697400 -0.4129600000E-01 2 2.884265000 -0.2140090000 3 0.8085640000 -0.5027830000 P 1 1 0.2221630000 1.000000000 OXYGEN ! (4s,5p)->[2s,3p] S 3 1 47.10551800 -0.1440800000E-01 2 5.911346000 0.1295680000 3 0.9764830000 -0.5631180000 S 1 1 0.2960700000 1.000000000 P 3 1 16.69221900 0.4485600000E-01 2 3.900702000 0.2226130000 3 1.078253000 0.5001880000 P 1 1 0.2841890000 1.000000000 P 1 1 0.7020000000E-01 1.000000000 FLUORINE ! (4s,5p)->[2s,3p] S 3 1 51.64276300 0.8566000000E-02 2 9.414277000 -0.1530090000 3 1.214123000 0.5898350000 S 1 1 0.3700810000 1.000000000 P 3 1 22.30083000 0.5185100000E-01 2 4.954573000 0.2372870000 3 1.342311000 0.5076660000 P 1 1 0.3465300000 1.000000000 P 1 1 0.8477200000E-01 1.000000000 NEON ! (7s,7p,3d,1f)->[4s,4p,3d,1f] S 4 1 612.0024370 -0.6107000000E-02 2 80.95204400 -0.4260300000E-01 3 13.86420100 0.4521960000 4 8.745526000 0.5799560000 S 1 1 1.992346000 1.000000000 S 1 1 0.8008030000 1.000000000 S 1 1 0.3077740000 1.000000000 P 4 1 158.3145350 0.7851000000E-02 2 37.30112800 0.7131600000E-01 3 12.70555800 0.2863920000 4 4.587087000 0.7353940000 P 1 1 1.735662000 1.000000000 P 1 1 0.6405530000 1.000000000 P 1 1 0.2225440000 1.000000000 D 1 1 4.274800000 1.000000000 D 1 1 1.171700000 1.000000000 D 1 1 0.3211000000 1.000000000 F 1 1 2.579500000 1.000000000 SODIUM ! (4s,4p)->[2s,2p] S 3 1 2.603336300 0.8824000000E-02 2 0.5172170000 -0.1832270000 3 0.5819600000E-01 0.6520170000 S 1 1 0.2314100000E-01 1.000000000 P 3 1 0.4992060000 0.1854700000E-01 2 0.7921900000E-01 0.2762110000 3 0.2994600000E-01 0.5870040000 P 1 1 0.1260500000E-01 1.000000000 MAGNESIUM ! (4s,4p)->[2s,2p] S 3 1 2.425719300 0.2676400000E-01 2 0.8226250000 -0.2238800000 3 0.1077490000 0.6204640000 S 1 1 0.3948500000E-01 1.000000000 P 3 1 0.7690470000 -0.3664800000E-01 2 0.1886750000 0.2431450000 3 0.7510100000E-01 0.5547840000 P 1 1 0.2949700000E-01 1.000000000 ALUMINUM ! (4s,4p)->[2s,2p] S 3 1 2.786337000 -0.4641100000E-01 2 1.143635000 0.2744720000 3 0.1700270000 -0.6252340000 S 1 1 0.6732400000E-01 1.000000000 P 3 1 0.9837940000 0.5203600000E-01 2 0.3582450000 -0.1550940000 3 0.1381580000 -0.5325840000 P 1 1 0.4497500000E-01 1.000000000 SILICON ! (4s,4p)->[2s,2p] S 3 1 4.014378000 -0.3950800000E-01 2 1.393707000 0.2961500000 3 0.2516580000 -0.5997520000 S 1 1 0.1001800000 1.000000000 P 3 1 1.102481000 0.8458300000E-01 2 0.5831270000 -0.1857480000 3 0.2086750000 -0.5548520000 P 1 1 0.6914700000E-01 1.000000000 PHOSPHORUS ! (4s,4p)->[2s,2p] S 3 1 6.722308000 -0.3245500000E-01 2 1.624063000 0.2850560000 3 0.3319290000 -0.6469140000 S 1 1 0.1208190000 1.000000000 P 3 1 1.283221000 -0.5596200000E-01 2 0.5997250000 0.2863630000 3 0.2277590000 0.5522570000 P 1 1 0.8442400000E-01 1.000000000 SULFUR ! (4s,5p)->[2s,3p] S 3 1 6.833518000 -0.4387500000E-01 2 2.077738000 0.3198940000 3 0.4191210000 -0.6612330000 S 1 1 0.1532370000 1.000000000 P 3 1 1.817139000 -0.7922700000E-01 2 0.8550700000 0.2636710000 3 0.3120530000 0.5806820000 P 1 1 0.1016870000 1.000000000 P 1 1 0.2981000000E-01 1.000000000 CHLORINE ! (4s,5p)->[2s,3p] S 3 1 14.07307600 0.2034500000E-01 2 2.331565000 -0.2892230000 3 0.5071000000 0.6303670000 S 1 1 0.1824330000 1.000000000 P 3 1 3.353129000 -0.4155200000E-01 2 0.7856860000 0.3997480000 3 0.2674540000 0.5918290000 P 1 1 0.7827500000E-01 1.000000000 P 1 1 0.1547700000E-01 1.000000000 ARGON ! (6s,6p,3d,1f)->[4s,4p,3d,1f] S 3 1 174.6696550 0.2587000000E-02 2 12.69576800 0.6231300000E-01 3 2.917834000 -1.042158000 S 1 1 0.6708400000 1.000000000 S 1 1 0.2991120000 1.000000000 S 1 1 0.1314020000 1.000000000 P 3 1 19.88722100 0.2334600000E-01 2 3.776172000 -0.2246210000 3 1.211516000 1.137596000 P 1 1 0.5384990000 1.000000000 P 1 1 0.2295750000 1.000000000 P 1 1 0.9510300000E-01 1.000000000 D 1 1 1.450900000 1.000000000 D 1 1 0.4385000000 1.000000000 D 1 1 0.1325000000 1.000000000 F 1 1 0.9305000000 1.000000000 POTASSIUM ! (4s,4p)->[2s,2p] S 3 1 1.105492600 0.2513500000E-01 2 0.2694510000 -0.2849110000 3 0.4485200000E-01 0.4735740000 S 1 1 0.2056900000E-01 1.000000000 P 3 1 0.2202780000 -0.6444300000E-01 2 0.5161100000E-01 0.2701400000 3 0.2225300000E-01 0.6012890000 P 1 1 0.9848000000E-02 1.000000000 CALCIUM ! (4s,4p)->[2s,2p] S 3 1 0.8382650000 0.1068310000 2 0.4323130000 -0.3872400000 3 0.6511000000E-01 0.6454090000 S 1 1 0.2710700000E-01 1.000000000 P 3 1 0.3169150000 -0.1171340000 2 0.1160180000 0.2385410000 3 0.4970800000E-01 0.5986320000 P 1 1 0.2147800000E-01 1.000000000 ZINC ! (4s,2p)->[3s,2p] S 2 1 1.572755000 0.3138620000 2 1.198905000 -0.5418010000 S 1 1 0.1488560000 1.000000000 S 1 1 0.5101600000E-01 1.000000000 P 1 1 0.1362700000 1.000000000 P 1 1 0.4150000000E-01 1.000000000 GALLIUM ! (4s,4p)->[2s,2p] S 3 1 3.484775000 0.1143940000 2 1.685835000 -0.3601310000 3 0.1785420000 0.6937990000 S 1 1 0.6781400000E-01 1.000000000 P 3 1 1.283231000 0.1028340000 2 0.4761630000 -0.1408860000 3 0.1556210000 -0.4773150000 P 1 1 0.5429400000E-01 1.000000000 GERMANIUM ! (4s,4p)->[2s,2p] S 3 1 3.231253000 0.2221800000 2 1.947545000 -0.5066160000 3 0.2323200000 0.7088450000 S 1 1 0.8666900000E-01 1.000000000 P 3 1 1.227805000 0.2239500000 2 0.7568560000 -0.2291340000 3 0.2043470000 -0.5764140000 P 1 1 0.6779200000E-01 1.000000000 ARSENIC ! (4s4p)->[2s2p] S 3 1 3.431474000 0.1481660000 2 1.896866000 -0.4498900000 3 0.2944490000 0.6956820000 S 1 1 0.1118960000 1.000000000 P 3 1 1.296447000 -0.3699540000 2 0.9499710000 0.3732140000 3 0.2544210000 0.6003040000 P 1 1 0.8759300000E-01 1.000000000 SELENIUM ! (4s,5p)->[2s,3p] S 3 1 3.588180000 0.2496300000 2 2.239711000 -0.5814600000 3 0.3437730000 0.7289380000 S 1 1 0.1313990000 1.000000000 P 3 1 1.509427000 0.1952710000 2 0.8751060000 -0.2539150000 3 0.2908260000 -0.5904870000 P 1 1 0.1002210000 1.000000000 P 1 1 0.3251600000E-01 1.000000000 BROMINE ! (4s,5p)->[2s,3p] S 3 1 4.721881000 0.1072970000 2 2.257555000 -0.4338020000 3 0.3896080000 0.7720430000 S 1 1 0.1471340000 1.000000000 P 3 1 1.896942000 -0.1793950000 2 0.9108990000 0.2637290000 3 0.3168550000 0.6069520000 P 1 1 0.1095030000 1.000000000 P 1 1 0.3609700000E-01 1.000000000 KRYPTON ! (6s,6p,3d,1f)->[4s,4p,3d,1f] S 3 1 35.40296100 0.2049500000E-01 2 15.66508900 -0.9918800000E-01 3 6.247711000 1.072051000 S 1 1 2.394246000 1.000000000 S 1 1 0.4534890000 1.000000000 S 1 1 0.1721580000 1.000000000 P 3 1 23.02908500 0.5625000000E-02 2 9.503092000 -0.7505100000E-01 3 2.842461000 1.045689000 P 1 1 0.6892930000 1.000000000 P 1 1 0.2851360000 1.000000000 P 1 1 0.1087820000 1.000000000 D 1 1 0.7379000000 1.000000000 D 1 1 0.3225000000 1.000000000 D 1 1 0.1409000000 1.000000000 F 1 1 0.7052000000 1.000000000 RUBIDIUM ! (4s,4p)->[2s,2p] S 3 1 0.7182880000 0.7722000000E-01 2 0.2739780000 -0.3446230000 3 0.3230600000E-01 0.7263260000 S 1 1 0.1523200000E-01 1.000000000 P 3 1 0.1619670000 -0.9625300000E-01 2 0.5077100000E-01 0.2008450000 3 0.2213300000E-01 0.6076980000 P 1 1 0.9934000000E-02 1.000000000 STRONTIUM ! (4s,4p)->[2s,2p] S 3 1 0.7917400000 0.8351400000E-01 2 0.3161780000 -0.4292370000 3 0.6656500000E-01 0.5239690000 S 1 1 0.2699000000E-01 1.000000000 P 3 1 0.2258250000 -0.1673350000 2 0.9569100000E-01 0.2554970000 3 0.4207700000E-01 0.6116690000 P 1 1 0.1807700000E-01 1.000000000 INDIUM ! (4s,4p)->[2s,2p] S 3 1 1.532562000 0.2617740000 2 0.9442690000 -0.6254060000 3 0.1767330000 0.6513040000 S 1 1 0.6434300000E-01 1.000000000 P 3 1 0.6414740000 0.2111030000 2 0.3427390000 -0.2430290000 3 0.1095460000 -0.5601910000 P 1 1 0.3895800000E-01 1.000000000 TIN ! (4s4p)->[2s2p] S 3 1 1.600322000 0.6357680000 2 1.166341000 -1.076262000 3 0.2397610000 0.6085820000 S 1 1 0.8723700000E-01 1.000000000 P 3 1 2.104677000 0.7895000000E-01 2 1.371094000 -0.1911590000 3 0.2013930000 0.5425460000 P 1 1 0.6599500000E-01 1.000000000 ANTIMONY ! (4s,4p)->[2s,2p] S 3 1 2.220799000 0.2567130000 2 1.267838000 -0.6690110000 3 0.2609560000 0.6464600000 S 1 1 0.1000660000 1.000000000 P 3 1 2.149349000 0.1089150000 2 1.434212000 -0.2513970000 3 0.2426310000 0.5739470000 P 1 1 0.8341600000E-01 1.000000000 TELLERIUM ! (4s,5p)->[2s,3p] S 3 1 2.471222000 0.2419560000 2 1.509995000 -0.6004880000 3 0.2546770000 0.7635220000 S 1 1 0.1026310000 1.000000000 P 3 1 2.388734000 0.1581810000 2 1.644165000 -0.3249320000 3 0.2899730000 0.5856550000 P 1 1 0.9675300000E-01 1.000000000 P 1 1 0.2976700000E-01 1.000000000 IODINE ! (4s,5p)->[2s,3p] S 3 1 2.122765000 1.104028000 2 1.770481000 -1.535326000 3 0.3130840000 0.7516030000 S 1 1 0.1240710000 1.000000000 P 3 1 2.432887000 0.4422320000 2 2.137249000 -0.5838090000 3 0.3145460000 0.6266060000 P 1 1 0.1049450000 1.000000000 P 1 1 0.3264100000E-01 1.000000000 XENON ! (6s,6p,3d,1f)->[4s,4p,3d,1f] S 3 1 7.858015000 0.5992800000E-01 2 3.495772000 -0.6490760000 3 1.758869000 1.529814000 S 1 1 0.3147450000 1.000000000 S 1 1 0.1511600000 1.000000000 S 1 1 0.7122600000E-01 1.000000000 P 3 1 3.214523000 0.2110050000 2 1.884944000 -0.7126740000 3 0.4488760000 1.228080000 P 1 1 0.2122320000 1.000000000 P 1 1 0.1001150000 1.000000000 P 1 1 0.4697900000E-01 1.000000000 D 1 1 0.4460000000 1.000000000 D 1 1 0.2322000000 1.000000000 D 1 1 0.1208000000 1.000000000 F 1 1 0.5157000000 1.000000000 CESIUM ! (4s4p)->[2s2p] S 3 1 0.3974310000 0.2396470000 2 0.2297960000 -0.5541720000 3 0.3653500000E-01 0.2513590000 S 1 1 0.1890100000E-01 1.000000000 P 3 1 0.1239000000 -0.1309060000 2 0.5228100000E-01 0.1313700000 3 0.2189700000E-01 0.6195840000 P 1 1 0.9574000000E-02 1.000000000 BARIUM ! (4s4p)->[2s2p] S 3 1 0.4928470000 0.2289670000 2 0.2828440000 -0.5810350000 3 0.4487400000E-01 0.6673080000 S 1 1 0.2058600000E-01 1.000000000 P 3 1 0.1537520000 -0.2715930000 2 0.8098700000E-01 0.3542340000 3 0.3256600000E-01 0.6642640000 P 1 1 0.1423800000E-01 1.000000000 Effective Core Potential ------------------------ LI-ECP GEN 2 2 1 ----- D POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-D POTENTIAL ----- 5.78600000 2 1.27600000 1 ----- P-D POTENTIAL ----- -1.06500000 2 1.60700000 BE-ECP GEN 2 2 1 ----- D POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-D POTENTIAL ----- 13.32500000 2 2.65300000 1 ----- P-D POTENTIAL ----- -1.57400000 2 3.12000000 B-ECP GEN 2 3 1 ----- F POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-F POTENTIAL ----- 23.99296000 2 4.50610000 1 ----- P-F POTENTIAL ----- -1.76672400 2 5.22950000 1 ----- D-F POTENTIAL ----- -0.00175400 2 0.01080000 C-ECP GEN 2 3 1 ----- F POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-F POTENTIAL ----- 33.12163800 2 6.40105200 1 ----- P-F POTENTIAL ----- -1.98625700 2 7.30774700 1 ----- D-F POTENTIAL ----- -9.45431800 2 5.96179600 N-ECP GEN 2 3 1 ----- F POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-F POTENTIAL ----- 38.53383100 2 7.97723200 1 ----- P-F POTENTIAL ----- -2.55081000 2 10.18385400 1 ----- D-F POTENTIAL ----- -2.99554500 2 11.55994700 O-ECP GEN 2 3 1 ----- F POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-F POTENTIAL ----- 50.77106900 2 10.44567000 1 ----- P-F POTENTIAL ----- -4.90355100 2 18.04517400 1 ----- D-F POTENTIAL ----- -3.31212400 2 8.16479800 F-ECP GEN 2 3 1 ----- F POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-F POTENTIAL ----- 102.59795200 2 22.35040000 19.04966300 2 11.17520000 2 ----- P-F POTENTIAL ----- -15.14396000 2 26.47680000 2.80292100 2 13.23840000 1 ----- D-F POTENTIAL ----- -0.00186300 2 0.03160000 NE-ECP GEN 2 3 1 ----- F POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-F POTENTIAL ----- 112.52543566 2 31.86016200 28.30083454 2 12.36221900 2 ----- P-F POTENTIAL ----- -11.12658543 2 21.50803400 3.38754919 2 12.91044700 1 ----- D-F POTENTIAL ----- -0.18408921 2 0.85038500 NA-ECP GEN 10 3 1 ----- F POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-F POTENTIAL ----- 10.83900000 2 1.37800000 1 ----- P-F POTENTIAL ----- 2.30300000 2 0.66390000 1 ----- D-F POTENTIAL ----- -1.77700000 2 0.92490000 MG-ECP GEN 10 3 1 ----- F POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-F POTENTIAL ----- 14.67600000 2 1.73200000 1 ----- P-F POTENTIAL ----- 5.17570000 2 1.11500000 1 ----- D-F POTENTIAL ----- -1.81600000 2 1.20300000 AL-ECP GEN 10 3 1 ----- F POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-F POTENTIAL ----- 20.40981300 2 2.19822500 1 ----- P-F POTENTIAL ----- 8.98049500 2 1.60139500 1 ----- D-F POTENTIAL ----- -1.97041100 2 1.49902600 SI-ECP GEN 10 3 1 ----- F POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-F POTENTIAL ----- 26.62331865 2 2.71362197 1 ----- P-F POTENTIAL ----- 10.92995391 2 1.96687987 1 ----- D-F POTENTIAL ----- -4.66941200 2 2.71001600 P-ECP GEN 10 3 1 ----- F POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-F POTENTIAL ----- 26.53226131 2 2.94055986 1 ----- P-F POTENTIAL ----- 11.49721021 2 2.22771255 1 ----- D-F POTENTIAL ----- -16.77278000 2 5.66170600 S-ECP GEN 10 3 1 ----- F POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-F POTENTIAL ----- 37.97481900 2 3.74389164 1 ----- P-F POTENTIAL ----- 18.79052931 2 3.08608744 1 ----- D-F POTENTIAL ----- -7.83796400 2 4.86241400 CL-ECP GEN 10 3 1 ----- F POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-F POTENTIAL ----- 33.13663200 2 6.39430000 16.27072800 2 3.19710000 2 ----- P-F POTENTIAL ----- 24.41699300 2 5.62070000 7.68305000 2 2.81030000 1 ----- D-F POTENTIAL ----- -8.58764900 2 5.33810000 AR-ECP GEN 10 4 1 ----- G POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-G POTENTIAL ----- 68.66778801 2 10.26172100 24.04276629 2 3.95272500 2 ----- P-G POTENTIAL ----- 27.73076331 2 5.39271400 4.04545904 2 2.69996700 2 ----- D-G POTENTIAL ----- -8.13747696 2 8.08623500 -1.66452808 2 4.01663200 1 ----- F-G POTENTIAL ----- -3.40009845 2 5.20845900 K-ECP GEN 18 3 1 ----- F POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-F POTENTIAL ----- 13.56400000 2 0.85300000 1 ----- P-F POTENTIAL ----- 2.64800000 2 0.36960000 1 ----- D-F POTENTIAL ----- -4.51700000 2 0.66390000 CA-ECP GEN 18 3 1 ----- F POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-F POTENTIAL ----- 12.46600000 2 0.89800000 1 ----- P-F POTENTIAL ----- 5.14600000 2 0.54800000 1 ----- D-F POTENTIAL ----- -7.70900000 2 1.11900000 ZN-ECP GEN 28 3 1 ----- F POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-F POTENTIAL ----- 14.93680000 2 1.50000000 -2.62660000 2 0.75000000 2 ----- P-F POTENTIAL ----- 11.43290000 2 1.50000000 -1.49390000 2 0.75000000 2 ----- D-F POTENTIAL ----- 1.16900000 2 0.75000000 0.37070000 2 0.37500000 GA-ECP GEN 28 4 1 ----- G POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-G POTENTIAL ----- 203.85397200 2 5.21596000 1 ----- P-G POTENTIAL ----- 156.10339000 2 4.30890400 1 ----- D-G POTENTIAL ----- 1.03164700 2 0.49635700 1 ----- F-G POTENTIAL ----- -10.67373500 2 1.71517000 GE-ECP GEN 28 4 1 ----- G POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-G POTENTIAL ----- 149.24657900 2 4.81540900 1 ----- P-G POTENTIAL ----- 132.84433500 2 4.16951500 1 ----- D-G POTENTIAL ----- 1.34615400 2 0.59195800 1 ----- F-G POTENTIAL ----- -7.04422300 2 1.79177000 AS-ECP GEN 28 4 1 ----- G POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-G POTENTIAL ----- 53.96562000 2 3.61262500 1 ----- P-G POTENTIAL ----- 88.94908800 2 3.90792600 1 ----- D-G POTENTIAL ----- 22.42028800 2 1.92646700 1 ----- F-G POTENTIAL ----- -4.70481500 2 1.77343400 SE-ECP GEN 28 4 1 ----- G POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-G POTENTIAL ----- 79.66334500 2 4.23705700 1 ----- P-G POTENTIAL ----- 31.56099300 2 2.91033400 1 ----- D-G POTENTIAL ----- 30.80461000 2 2.33570100 1 ----- F-G POTENTIAL ----- -6.54687500 2 2.25463900 BR-ECP GEN 28 4 1 ----- G POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-G POTENTIAL ----- 61.51372100 2 5.02180000 9.02149300 2 2.51090000 2 ----- P-G POTENTIAL ----- 53.87586400 2 4.28140000 4.62940200 2 2.14070000 2 ----- D-G POTENTIAL ----- 20.84967700 2 2.88000000 2.96544400 2 1.44000000 1 ----- F-G POTENTIAL ----- -8.16149300 2 2.72070000 KR-ECP GEN 28 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-H POTENTIAL ----- 73.91569390 2 5.87771800 16.16825080 2 3.08462200 2 ----- P-H POTENTIAL ----- 58.51769101 2 5.16411000 8.25910073 2 2.35830200 2 ----- D-H POTENTIAL ----- 33.45822776 2 3.21536200 0.67725331 2 1.28500800 2 ----- F-H POTENTIAL ----- -15.15869859 2 4.08286900 -0.17408825 2 1.19396000 1 ----- G-H POTENTIAL ----- -6.83315877 2 3.18077500 RB-ECP GEN 36 3 1 ----- F POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-F POTENTIAL ----- 45.27200000 2 1.01200000 1 ----- P-F POTENTIAL ----- 2.83000000 2 0.30360000 1 ----- D-F POTENTIAL ----- -1.97500000 2 0.38380000 SR-ECP GEN 36 3 1 ----- F POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-F POTENTIAL ----- 15.38700000 2 0.79620000 1 ----- P-F POTENTIAL ----- 5.07700000 2 0.42120000 1 ----- D-F POTENTIAL ----- -2.24800000 2 0.49270000 IN-ECP GEN 46 4 1 ----- G POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-G POTENTIAL ----- 29.16521900 2 1.43509100 -4.19080600 2 0.69580500 2 ----- P-G POTENTIAL ----- 36.99054200 2 1.44083200 -3.36582000 2 0.70139200 1 ----- D-G POTENTIAL ----- 20.00053100 2 0.96123600 1 ----- F-G POTENTIAL ----- -6.01909200 2 0.88436900 SN-ECP GEN 46 4 1 ----- G POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-G POTENTIAL ----- 67.92534700 2 1.96972500 -7.47854600 2 0.97237500 2 ----- P-G POTENTIAL ----- 56.60288000 2 1.99921000 -2.16177600 2 0.99904200 1 ----- D-G POTENTIAL ----- 2.57633600 2 0.50036100 1 ----- F-G POTENTIAL ----- -10.10925300 2 1.23088000 SB-ECP GEN 46 4 1 ----- G POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-G POTENTIAL ----- 68.42793800 2 2.49109100 -4.39863100 2 1.34157500 2 ----- P-G POTENTIAL ----- 63.96546900 2 2.14386400 -0.57872600 2 0.58550300 1 ----- D-G POTENTIAL ----- 7.80366100 2 0.79540100 1 ----- F-G POTENTIAL ----- -14.51768700 2 1.60925100 TE-ECP GEN 46 4 1 ----- G POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-G POTENTIAL ----- 50.08380500 2 2.92379400 1.96814000 2 1.15275400 2 ----- P-G POTENTIAL ----- 119.82070200 2 2.60308600 -2.03904800 2 0.98544800 1 ----- D-G POTENTIAL ----- 37.75721400 2 1.43501900 1 ----- F-G POTENTIAL ----- -17.86464100 2 1.93927000 I-ECP GEN 46 4 1 ----- G POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-G POTENTIAL ----- 83.09814545 2 3.50642001 5.06370919 2 1.74736492 4 ----- P-G POTENTIAL ----- 27.29481509 2 2.99860773 55.60853601 2 3.01690894 0.77464159 2 1.59415934 1.81386562 2 1.19802939 4 ----- D-G POTENTIAL ----- 2.56052702 2 1.03813792 3.72797296 2 1.01158599 7.64641669 2 2.04193864 11.45079545 2 1.99631017 4 ----- F-G POTENTIAL ----- -10.62474188 2 2.64971585 -14.27512750 2 2.75335574 -0.11972820 2 0.49970082 -0.40105292 2 0.79638982 XE-ECP GEN 46 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-H POTENTIAL ----- 122.76382934 2 3.94026300 8.30885115 2 2.27726400 2 ----- P-H POTENTIAL ----- 68.82300437 2 3.02837300 3.64674223 2 1.39431900 2 ----- D-H POTENTIAL ----- 23.65207854 2 2.12260500 3.25844113 2 0.79866900 2 ----- F-H POTENTIAL ----- -47.70319876 2 6.16436000 -6.54113991 2 1.54237400 1 ----- G-H POTENTIAL ----- -7.10585060 2 1.84789200 CS-ECP GEN 54 3 1 ----- F POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-F POTENTIAL ----- 303.50000000 2 1.16000000 1 ----- P-F POTENTIAL ----- 2.93000000 2 0.24470000 1 ----- D-F POTENTIAL ----- -1.13800000 2 0.24270000 BA-ECP GEN 54 3 1 ----- F POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-F POTENTIAL ----- 16.71000000 2 0.63560000 1 ----- P-F POTENTIAL ----- 4.87400000 2 0.32140000 1 ----- D-F POTENTIAL ----- -0.84270000 2 0.24030000 MERCURY ! (4s,4p,1d)->[2s,2p,1d] S 3 1 1.354842000 0.2364940000 2 0.8288920000 -0.5996280000 3 0.1339320000 0.8463050000 S 1 1 0.5101700000E-01 1.000000000 P 3 1 1.000146000 0.1449540000 2 0.8664530000 -0.2049710000 3 0.1182060000 0.4903010000 P 1 1 0.3515500000E-01 1.000000000 D 1 1 0.1900000000 1.000000000 THALLIUM ! (4s,4p,1d)->[2s,2p,1d] S 3 1 1.463339000 0.4254620000 2 0.9909960000 -0.8297730000 3 0.1632550000 0.8324440000 S 1 1 0.6080200000E-01 1.000000000 P 3 1 1.342502000 0.9710800000E-01 2 0.9939890000 -0.1932540000 3 0.1496930000 0.5147750000 P 1 1 0.4561200000E-01 1.000000000 D 1 1 0.1500000000 1.000000000 LEAD ! (4s4p1d)->[2s2p1d] S 3 1 1.305175000 1.010402000 2 1.135282000 -1.402355000 3 0.2027710000 0.7933720000 S 1 1 0.8179600000E-01 1.000000000 P 3 1 1.441684000 0.1456260000 2 0.9771430000 -0.3198630000 3 0.1945050000 0.5536900000 P 1 1 0.6271000000E-01 1.000000000 D 1 1 0.1700000000 1.000000000 BISMUTH ! (4s4p1d)->[2s2p1d] S 3 1 1.425388000 0.7600800000E-01 2 0.9849140000 -0.4574080000 3 0.2525140000 0.7021840000 S 1 1 0.1006190000 1.000000000 P 3 1 1.517283000 0.3466820000 2 1.253307000 -0.5133130000 3 0.2079490000 0.6484570000 P 1 1 0.6943300000E-01 1.000000000 D 1 1 0.1700000000 1.000000000 POLONIUM ! (4s4p1d)->[2s2p1d] S 3 1 1.957030000 0.3567870000 2 1.299266000 -0.8254650000 3 0.2844790000 0.8602430000 S 1 1 0.9942300000E-01 1.000000000 P 3 1 1.731135000 0.1738230000 2 1.282162000 -0.3364260000 3 0.2354460000 0.6932420000 P 1 1 0.7229900000E-01 1.000000000 P 1 1 0.2020700000E-01 1.000000000 D 1 1 0.2100000000 1.000000000 ASTATINE ! (4s4p1d)->[2s2p1d] S 3 1 1.962420000 0.5190180000 2 1.387359000 -1.025614000 3 0.2962310000 0.9535080000 S 1 1 0.1041270000 1.000000000 P 3 1 2.202138000 0.6344300000E-01 2 1.338791000 -0.1945740000 3 0.2620810000 0.6511040000 P 1 1 0.9626800000E-01 1.000000000 P 1 1 0.3784900000E-01 1.000000000 D 1 1 0.2300000000 1.000000000 RADON ! (4s,4p,1d)->[2s,2p,1d] S 3 1 1.978325000 0.6789880000 2 1.514033000 -1.184159000 3 0.3246540000 0.9210860000 S 1 1 0.1273660000 1.000000000 P 3 1 2.031095000 0.2320400000 2 1.656122000 -0.3545180000 3 0.2983650000 0.6651200000 P 1 1 0.1032220000 1.000000000 D 1 1 0.2600000000 1.000000000 ACTINIUM ! (8s,8p,6d,5f,2g)->[5s,5p,4d,3f,2g] S 4 1 22.19403000 0.5820000000E-03 2 5.161896000 -0.2274570000 3 3.441264000 1.113692000 4 2.294176000 -1.360295000 S 1 1 1.529451000 1.000000000 S 1 1 0.3858870000 1.000000000 S 1 1 0.1023360000 1.000000000 S 1 1 0.4091500000E-01 1.000000000 P 4 1 15.58159800 0.2308000000E-02 2 10.21120200 -0.9408000000E-02 3 4.294428000 0.7245500000E-01 4 1.923326000 -0.2925100000 P 1 1 0.4718650000 1.000000000 P 1 1 0.2073300000 1.000000000 P 1 1 0.6135700000E-01 1.000000000 P 1 1 0.2306200000E-01 1.000000000 D 3 1 4.432141000 0.3505000000E-02 2 1.700694000 -0.4721700000E-01 3 1.074794000 0.8199000000E-02 D 1 1 0.3492750000 1.000000000 D 1 1 0.1349570000 1.000000000 D 1 1 0.4737800000E-01 1.000000000 F 3 1 2.157898000 0.3431490000 2 0.7499590000 0.4469380000 3 0.2244120000 0.4292070000 F 1 1 0.5574800000E-01 1.000000000 F 1 1 0.7156000000E-02 1.000000000 G 1 1 0.5100000000 1.000000000 G 1 1 0.1800000000 1.000000000 THORIUM ! (8s8p6d5f2g)->[5s5p4d3f2g] S 4 1 10.51665700 0.3309600000E-01 2 7.010906000 -0.2339080000 3 4.673809000 0.5198480000 4 1.862081000 -1.018942000 S 1 1 0.5373270000 1.000000000 S 1 1 0.2614820000 1.000000000 S 1 1 0.6825700000E-01 1.000000000 S 1 1 0.2752200000E-01 1.000000000 P 4 1 15.87281100 0.1559000000E-02 2 10.58187400 -0.6917000000E-02 3 3.924954000 0.1150440000 4 2.208292000 -0.3349900000 P 1 1 0.4929470000 1.000000000 P 1 1 0.2151610000 1.000000000 P 1 1 0.5450800000E-01 1.000000000 P 1 1 0.1436500000E-01 1.000000000 D 3 1 6.071412000 0.1731000000E-02 2 1.984049000 -0.3985000000E-01 3 0.4607160000 0.2696270000 D 1 1 0.2185020000 1.000000000 D 1 1 0.9874700000E-01 1.000000000 D 1 1 0.4187200000E-01 1.000000000 F 3 1 2.299146000 0.3237190000 2 1.020549000 0.3795530000 3 0.4433930000 0.3340230000 F 1 1 0.1862010000 1.000000000 F 1 1 0.7157400000E-01 1.000000000 G 1 1 0.5200000000 1.000000000 G 1 1 0.2200000000 1.000000000 PROTACTINIUM ! (8s8p6d5f2g)->[5s5p4d3f2g] S 4 1 11.34792000 0.2533000000E-01 2 7.087130000 -0.2229290000 3 4.724286000 0.5295950000 4 1.934537000 -1.026862000 S 1 1 0.5545750000 1.000000000 S 1 1 0.2644890000 1.000000000 S 1 1 0.6171100000E-01 1.000000000 S 1 1 0.2501800000E-01 1.000000000 P 4 1 17.45374300 0.1178000000E-02 2 7.697815000 -0.2988500000E-01 3 5.132269000 0.9839200000E-01 4 2.161349000 -0.2977200000 P 1 1 0.5246520000 1.000000000 P 1 1 0.2265150000 1.000000000 P 1 1 0.5313800000E-01 1.000000000 P 1 1 0.1371800000E-01 1.000000000 D 3 1 6.781160000 0.2055000000E-02 2 2.267173000 -0.3977300000E-01 3 0.5406500000 0.2501230000 D 1 1 0.2566310000 1.000000000 D 1 1 0.1138060000 1.000000000 D 1 1 0.4710600000E-01 1.000000000 F 3 1 2.166053000 0.3672780000 2 0.9571210000 0.4121360000 3 0.4186070000 0.3133340000 F 1 1 0.1770450000 1.000000000 F 1 1 0.6735100000E-01 1.000000000 G 1 1 0.7000000000 1.000000000 G 1 1 0.2000000000 1.000000000 URANIUM ! (8s8p6d5f2g)->[5s5p4d3f2g] S 4 1 12.12525300 0.2192100000E-01 2 7.161545000 -0.2251600000 3 4.774836000 0.5602990000 4 2.011693000 -1.071209000 S 1 1 0.5868520000 1.000000000 S 1 1 0.2791150000 1.000000000 S 1 1 0.6337200000E-01 1.000000000 S 1 1 0.2561100000E-01 1.000000000 P 4 1 17.25477000 0.1398000000E-02 2 7.735356000 -0.3334600000E-01 3 5.155878000 0.1105780000 4 2.241670000 -0.3172680000 P 1 1 0.5818580000 1.000000000 P 1 1 0.2679080000 1.000000000 P 1 1 0.8344200000E-01 1.000000000 P 1 1 0.3213000000E-01 1.000000000 D 3 1 4.841070000 0.5731000000E-02 2 2.160162000 -0.5723600000E-01 3 0.5756300000 0.2388280000 D 1 1 0.2781360000 1.000000000 D 1 1 0.1248790000 1.000000000 D 1 1 0.5154800000E-01 1.000000000 F 3 1 2.436441000 0.3550110000 2 1.144682000 0.4008460000 3 0.5296930000 0.3046790000 F 1 1 0.2405960000 1.000000000 F 1 1 0.1018670000 1.000000000 G 1 1 1.180000000 1.000000000 G 1 1 0.4200000000 1.000000000 NEPTUNIUM ! (8s8p6d5f2g)->[5s5p4d3f2g] S 4 1 13.46090300 0.1963100000E-01 2 7.780960000 -0.1612090000 3 4.620352000 0.5363840000 4 2.098394000 -1.120200000 S 1 1 0.6129150000 1.000000000 S 1 1 0.2909640000 1.000000000 S 1 1 0.6434000000E-01 1.000000000 S 1 1 0.2593100000E-01 1.000000000 P 4 1 12.76911900 0.6301000000E-02 2 8.510562000 -0.3683500000E-01 3 5.185132000 0.1181380000 4 2.355806000 -0.3255550000 P 1 1 0.5770820000 1.000000000 P 1 1 0.2463730000 1.000000000 P 1 1 0.5490200000E-01 1.000000000 P 1 1 0.1386700000E-01 1.000000000 D 3 1 4.761731000 0.7194000000E-02 2 2.309796000 -0.5853000000E-01 3 0.6076910000 0.2470820000 D 1 1 0.2879910000 1.000000000 D 1 1 0.1274170000 1.000000000 D 1 1 0.5216100000E-01 1.000000000 F 3 1 2.646018000 0.3411570000 2 1.302500000 0.4007460000 3 0.6025570000 0.3174910000 F 1 1 0.2624020000 1.000000000 F 1 1 0.1011290000 1.000000000 G 1 1 1.310000000 1.000000000 G 1 1 0.3700000000 1.000000000 PLUTONIUM ! (8s8p6d5f2g)->[5s5p4d3f2g] S 4 1 12.93939400 0.8716000000E-02 2 6.645390000 -0.2082290000 3 4.429330000 0.7092390000 4 2.232072000 -1.246292000 S 1 1 0.6322700000 1.000000000 S 1 1 0.3002480000 1.000000000 S 1 1 0.6540800000E-01 1.000000000 S 1 1 0.2627900000E-01 1.000000000 P 4 1 13.44484400 0.2130000000E-02 2 8.962508000 -0.1424200000E-01 3 4.146540000 0.1946170000 4 2.655914000 -0.4186030000 P 1 1 0.5957420000 1.000000000 P 1 1 0.2535360000 1.000000000 P 1 1 0.5570500000E-01 1.000000000 P 1 1 0.1396300000E-01 1.000000000 D 3 1 4.426063000 0.1145300000E-01 2 2.506813000 -0.6179400000E-01 3 0.6223960000 0.2690650000 D 1 1 0.2853480000 1.000000000 D 1 1 0.1234910000 1.000000000 D 1 1 0.5023400000E-01 1.000000000 F 3 1 2.843170000 0.3069440000 2 1.497921000 0.3911510000 3 0.7130630000 0.3304900000 F 1 1 0.3127230000 1.000000000 F 1 1 0.1204860000 1.000000000 G 1 1 1.590000000 1.000000000 G 1 1 0.4500000000 1.000000000 AMERICIUM ! (8s8p6d5f2g)->[5s5p4d3f2g] S 4 1 8.078410000 -0.1888230000 2 5.385607000 0.6640350000 3 3.590404000 -0.1589370000 4 2.393603000 -1.098060000 S 1 1 0.8842150000 1.000000000 S 1 1 0.3796470000 1.000000000 S 1 1 0.7065300000E-01 1.000000000 S 1 1 0.2853500000E-01 1.000000000 P 4 1 13.19286200 0.2303000000E-02 2 8.794381000 -0.1619900000E-01 3 4.170103000 0.2273360000 4 2.779822000 -0.4524170000 P 1 1 0.6207000000 1.000000000 P 1 1 0.2625320000 1.000000000 P 1 1 0.5656400000E-01 1.000000000 P 1 1 0.1401700000E-01 1.000000000 D 3 1 4.737997000 0.9618000000E-02 2 2.547396000 -0.5970000000E-01 3 0.6685140000 0.2456710000 D 1 1 0.3095740000 1.000000000 D 1 1 0.1342570000 1.000000000 D 1 1 0.5383800000E-01 1.000000000 F 3 1 15.84871300 0.5135000000E-02 2 2.912881000 0.3509070000 3 1.380633000 0.4442870000 F 1 1 0.5687520000 1.000000000 F 1 1 0.2032570000 1.000000000 G 1 1 1.710000000 1.000000000 G 1 1 0.5100000000 1.000000000 CURIUM ! (8s8p6d5f2g)->[5s5p4d3f2g] S 4 1 10.37805700 0.1489790000 2 6.919413000 -1.046434000 3 4.612470000 2.628106000 4 2.922506000 -2.550741000 S 1 1 0.6925480000 1.000000000 S 1 1 0.3252690000 1.000000000 S 1 1 0.7193700000E-01 1.000000000 S 1 1 0.2848800000E-01 1.000000000 P 4 1 13.55127200 0.2901000000E-02 2 9.033423000 -0.1714400000E-01 3 4.219850000 0.2298140000 4 2.812982000 -0.4565430000 P 1 1 0.6329320000 1.000000000 P 1 1 0.2674550000 1.000000000 P 1 1 0.5736700000E-01 1.000000000 P 1 1 0.1426300000E-01 1.000000000 D 3 1 4.691885000 0.9922000000E-02 2 2.606796000 -0.5609200000E-01 3 0.6715960000 0.2344090000 D 1 1 0.3058520000 1.000000000 D 1 1 0.1302170000 1.000000000 D 1 1 0.5093100000E-01 1.000000000 F 3 1 14.06779000 0.9840000000E-02 2 3.243034000 0.3505310000 3 1.561351000 0.4651530000 F 1 1 0.6350000000 1.000000000 F 1 1 0.2237200000 1.000000000 G 1 1 2.000000000 1.000000000 G 1 1 0.6000000000 1.000000000 BERKELIUM ! (8s8p6d5f2g)->[5s5p4d3f2g] S 4 1 11.18859500 0.1082070000 2 7.458366000 -0.7838590000 3 4.971779000 2.004385000 4 3.030341000 -2.119791000 S 1 1 0.7476860000 1.000000000 S 1 1 0.3513140000 1.000000000 S 1 1 0.7554000000E-01 1.000000000 S 1 1 0.2976700000E-01 1.000000000 P 4 1 9.122794000 -0.1912400000E-01 2 6.081863000 0.5492500000E-01 3 4.054575000 0.1216600000 4 2.703050000 -0.4251490000 P 1 1 0.7046200000 1.000000000 P 1 1 0.2971790000 1.000000000 P 1 1 0.6070400000E-01 1.000000000 P 1 1 0.1493800000E-01 1.000000000 D 3 1 4.974586000 0.9227000000E-02 2 2.723225000 -0.5278100000E-01 3 0.6956860000 0.2366330000 D 1 1 0.3057570000 1.000000000 D 1 1 0.1261230000 1.000000000 D 1 1 0.4812800000E-01 1.000000000 F 3 1 14.49074800 0.9376000000E-02 2 3.167751000 0.3504540000 3 1.535533000 0.4662840000 F 1 1 0.6321710000 1.000000000 F 1 1 0.2241100000 1.000000000 G 1 1 1.940000000 1.000000000 G 1 1 0.5800000000 1.000000000 CALIFORNIUM ! (8s8p6d5f2g)->[5s5p4d3f2g] S 4 1 10.46870000 0.1846040000 2 6.979569000 -1.296594000 3 4.652756000 3.417827000 4 3.102031000 -3.219538000 S 1 1 0.7821150000 1.000000000 S 1 1 0.3689890000 1.000000000 S 1 1 0.7709000000E-01 1.000000000 S 1 1 0.3037400000E-01 1.000000000 P 4 1 9.122794000 -0.2028200000E-01 2 6.081863000 0.6386500000E-01 3 4.054575000 0.1004600000 4 2.703050000 -0.4123110000 P 1 1 0.7322650000 1.000000000 P 1 1 0.3079780000 1.000000000 P 1 1 0.6166500000E-01 1.000000000 P 1 1 0.1505000000E-01 1.000000000 D 3 1 3.736075000 0.1368700000E-01 2 2.490214000 -0.6902800000E-01 3 0.8888290000 0.1565290000 D 1 1 0.3844070000 1.000000000 D 1 1 0.1497000000 1.000000000 D 1 1 0.5314500000E-01 1.000000000 F 3 1 14.23010400 0.1208500000E-01 2 3.386167000 0.3221160000 3 1.661785000 0.4611230000 F 1 1 0.6834420000 1.000000000 F 1 1 0.2416560000 1.000000000 G 1 1 2.020000000 1.000000000 G 1 1 0.6300000000 1.000000000 ! (8s8p6d5f2g)->[5s5p4d3f2g] S 4 1 10.64652200 0.1761280000 2 7.097681000 -1.264195000 3 4.731787000 3.397682000 4 3.154525000 -3.255480000 S 1 1 0.8135990000 1.000000000 S 1 1 0.3846960000 1.000000000 S 1 1 0.7868300000E-01 1.000000000 S 1 1 0.3092500000E-01 1.000000000 P 4 1 8.899740000 -0.2942500000E-01 2 5.933160000 0.1152900000 3 3.955440000 0.8106000000E-02 4 2.636960000 -0.3815860000 P 1 1 0.7654780000 1.000000000 P 1 1 0.3208260000 1.000000000 P 1 1 0.6287500000E-01 1.000000000 P 1 1 0.1524600000E-01 1.000000000 D 3 1 4.767557000 0.1337000000E-01 2 2.957170000 -0.5379400000E-01 3 0.7222570000 0.2413910000 D 1 1 0.3087550000 1.000000000 D 1 1 0.1244680000 1.000000000 D 1 1 0.4651400000E-01 1.000000000 F 3 1 14.41435000 0.1565800000E-01 2 3.640730000 0.3169930000 3 1.805649000 0.4821520000 F 1 1 0.7412470000 1.000000000 F 1 1 0.2612550000 1.000000000 G 1 1 2.080000000 1.000000000 G 1 1 0.6500000000 1.000000000 ! (8s8p6d5f2g)->[5s5p4d3f2g] S 4 1 10.75882700 0.1814860000 2 7.172551000 -1.299441000 3 4.781701000 3.497923000 4 3.187800000 -3.367586000 S 1 1 0.8520540000 1.000000000 S 1 1 0.4054190000 1.000000000 S 1 1 0.8027400000E-01 1.000000000 S 1 1 0.3148300000E-01 1.000000000 P 4 1 7.367204000 -0.3640200000E-01 2 4.910876000 0.2272540000 3 2.972909000 -0.4722210000 4 0.7879560000 0.6979440000 P 1 1 0.3532160000 1.000000000 P 1 1 0.1181410000 1.000000000 P 1 1 0.4035700000E-01 1.000000000 P 1 1 0.1089800000E-01 1.000000000 D 3 1 4.791618000 0.1469300000E-01 2 3.048958000 -0.5456400000E-01 3 0.7441840000 0.2432000000 D 1 1 0.3165720000 1.000000000 D 1 1 0.1269570000 1.000000000 D 1 1 0.4714800000E-01 1.000000000 F 3 1 14.80619200 0.1832500000E-01 2 3.900019000 0.2950550000 3 1.945780000 0.4932440000 F 1 1 0.7981540000 1.000000000 F 1 1 0.2802310000 1.000000000 G 1 1 2.210000000 1.000000000 G 1 1 0.7000000000 1.000000000 ! (8s8p6d5f2g)->[5s5p4d3f2g] S 4 1 10.47850600 0.2443880000 2 6.985671000 -1.675350000 3 4.657114000 4.340166000 4 3.104742000 -4.087464000 S 1 1 0.9440160000 1.000000000 S 1 1 0.4613860000 1.000000000 S 1 1 0.8096200000E-01 1.000000000 S 1 1 0.3180100000E-01 1.000000000 P 4 1 7.293840000 -0.3610000000E-01 2 4.863047000 0.2511630000 3 3.040317000 -0.5130490000 4 0.8629920000 0.6465640000 P 1 1 0.4227390000 1.000000000 P 1 1 0.1923680000 1.000000000 P 1 1 0.5014600000E-01 1.000000000 P 1 1 0.4039000000E-02 1.000000000 D 3 1 5.350045000 0.1010300000E-01 2 3.010632000 -0.5016000000E-01 3 0.7653980000 0.2483860000 D 1 1 0.3203070000 1.000000000 D 1 1 0.1264090000 1.000000000 D 1 1 0.4646100000E-01 1.000000000 F 3 1 15.31813200 0.2024100000E-01 2 4.145612000 0.2721840000 3 2.072374000 0.5039190000 F 1 1 0.8513500000 1.000000000 F 1 1 0.2981560000 1.000000000 G 1 1 2.300000000 1.000000000 G 1 1 0.7300000000 1.000000000 ! (8s8p6d5f2g)->[5s5p4d3f2g] S 4 1 10.55006400 0.2460360000 2 7.033377000 -1.665976000 3 4.688917000 4.279768000 4 3.125945000 -4.000908000 S 1 1 0.9136190000 1.000000000 S 1 1 0.4335410000 1.000000000 S 1 1 0.7050700000E-01 1.000000000 S 1 1 0.2772300000E-01 1.000000000 P 4 1 7.212604000 -0.3151800000E-01 2 4.808491000 0.2350020000 3 3.026921000 -0.4843320000 4 0.8335940000 0.6465870000 P 1 1 0.3842610000 1.000000000 P 1 1 0.1619280000 1.000000000 P 1 1 0.3927600000E-01 1.000000000 P 1 1 0.9654000000E-02 1.000000000 D 3 1 2.247269000 -0.2907000000E-01 2 0.8464050000 0.1094090000 3 0.3358880000 0.2305710000 D 1 1 0.1253000000 1.000000000 D 1 1 0.4667900000E-01 1.000000000 D 1 1 0.1730900000E-01 1.000000000 F 3 1 16.86371900 0.2317500000E-01 2 4.946441000 0.2204960000 3 2.423132000 0.5148740000 F 1 1 0.9882010000 1.000000000 F 1 1 0.3418850000 1.000000000 G 1 1 2.560000000 1.000000000 G 1 1 0.8200000000 1.000000000 ! (8s,8p,6d,5f,2g)->[5s,5p,4d,3f,2g] S 4 1 10.14567500 0.3039820000 2 6.764322000 -2.033541000 3 4.509548000 5.169129000 4 3.006365000 -4.852013000 S 1 1 1.073789000 1.000000000 S 1 1 0.5279120000 1.000000000 S 1 1 0.8587900000E-01 1.000000000 S 1 1 0.3391500000E-01 1.000000000 P 4 1 6.931146000 -0.3460100000E-01 2 4.620477000 0.3009700000 3 3.131752000 -0.5515050000 4 0.8384750000 0.6690650000 P 1 1 0.3963410000 1.000000000 P 1 1 0.1675290000 1.000000000 P 1 1 0.6255500000E-01 1.000000000 P 1 1 0.2310000000E-01 1.000000000 D 3 1 4.695176000 -0.1544000000E-01 2 3.130429000 0.4772200000E-01 3 0.7128390000 -0.2309240000 D 1 1 0.2845060000 1.000000000 D 1 1 0.1069760000 1.000000000 D 1 1 0.3762500000E-01 1.000000000 F 3 1 20.10661800 0.2250400000E-01 2 6.374799000 0.1614720000 3 2.969508000 0.5336010000 F 1 1 1.248174000 1.000000000 F 1 1 0.4429700000 1.000000000 G 1 1 2.910000000 1.000000000 G 1 1 0.9500000000 1.000000000 Effective Core Potential ------------------------ HG-ECP GEN 78 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 3 ----- S-H POTENTIAL ----- -0.69617800 2 0.22721000 27.75810500 2 1.65753000 48.78047500 2 10.00024800 2 ----- P-H POTENTIAL ----- -2.73581100 2 0.39837700 8.57563700 2 0.64730700 2 ----- D-H POTENTIAL ----- -0.01311800 2 0.21799900 2.79286200 2 0.38605800 1 ----- F-H POTENTIAL ----- -2.63516400 2 0.50000000 1 ----- G-H POTENTIAL ----- -13.39371600 2 0.80075600 TL-ECP GEN 78 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 3 ----- S-H POTENTIAL ----- -1.01649800 2 0.32623800 51.70795900 2 1.97754100 73.18668300 2 10.00000000 2 ----- P-H POTENTIAL ----- -2.96267300 2 0.54306300 19.73043100 2 1.03214000 2 ----- D-H POTENTIAL ----- 2.77269000 2 0.35481700 -3.97943900 2 0.70963300 1 ----- F-H POTENTIAL ----- -4.42678600 2 0.68915600 1 ----- G-H POTENTIAL ----- -12.27054000 2 0.82061700 PB-ECP GEN 78 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 3 ----- S-H POTENTIAL ----- -1.87334200 2 0.52916100 20.86079700 2 1.45672700 97.58795500 2 9.99991100 2 ----- P-H POTENTIAL ----- -7.76820900 2 0.67811900 51.71925400 2 1.24901300 2 ----- D-H POTENTIAL ----- 1.30076000 2 0.30744600 2.64082200 2 0.74493000 1 ----- F-H POTENTIAL ----- -5.70605600 2 0.84869900 1 ----- G-H POTENTIAL ----- -7.48418400 2 0.99994100 BI-ECP GEN 78 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 3 ----- S-H POTENTIAL ----- -0.16198800 2 0.16115200 14.03169000 2 1.50983500 122.04740100 2 10.00000000 2 ----- P-H POTENTIAL ----- -6.18852600 2 0.76049000 51.04586800 2 1.42641500 2 ----- D-H POTENTIAL ----- 20.53580400 2 0.78022600 -0.13619600 2 0.26007500 1 ----- F-H POTENTIAL ----- -6.41422600 2 0.97360800 1 ----- G-H POTENTIAL ----- -6.65606400 2 1.08819500 PO-ECP GEN 78 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 3 ----- S-H POTENTIAL ----- -4.15930400 2 0.92238600 33.83035400 2 1.78191500 146.33910100 2 10.00000000 2 ----- P-H POTENTIAL ----- -4.12531100 2 0.72429100 35.00707800 2 1.36386000 2 ----- D-H POTENTIAL ----- 1.20651800 2 0.47697900 13.35612500 2 0.95395700 1 ----- F-H POTENTIAL ----- -6.77517400 2 1.07545400 1 ----- G-H POTENTIAL ----- -5.51544100 2 1.12209600 AT-ECP GEN 78 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 3 ----- S-H POTENTIAL ----- -5.52846100 2 0.92238600 39.56886900 2 1.78191500 170.71138600 2 10.00000000 2 ----- P-H POTENTIAL ----- -2.29538700 2 0.72429100 25.49292000 2 1.36386000 2 ----- D-H POTENTIAL ----- 4.86510700 2 0.63597200 14.57941300 2 1.27194300 1 ----- F-H POTENTIAL ----- -6.85786700 2 1.15410800 1 ----- G-H POTENTIAL ----- -7.61303900 2 1.34511500 RN-ECP GEN 78 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 3 ----- S-H POTENTIAL ----- -5.01900500 2 0.92238600 37.03679000 2 1.78191500 195.10330800 2 10.80460100 2 ----- P-H POTENTIAL ----- -1.96648100 2 0.72429100 23.46405900 2 1.36386000 2 ----- D-H POTENTIAL ----- 7.48345700 2 0.76940000 9.36190000 2 1.53880000 1 ----- F-H POTENTIAL ----- -6.76315000 2 1.21389700 1 ----- G-H POTENTIAL ----- -9.91566200 2 1.57646900 AC-ECP GEN 78 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 3 ----- S-H POTENTIAL ----- 113.05439700 2 4.06365300 17.08323300 2 1.88399500 -2.66661500 2 0.88656700 3 ----- P-H POTENTIAL ----- 115.93765500 2 3.98618100 18.32997800 2 2.00016000 1.30743400 2 0.96084100 3 ----- D-H POTENTIAL ----- 60.86374000 2 4.14797200 29.38228900 2 2.23456300 6.96985000 2 0.91369500 3 ----- F-H POTENTIAL ----- 48.64607100 2 3.99893800 -29.41016000 2 1.99884000 2.55310600 2 0.99564100 2 ----- G-H POTENTIAL ----- -25.14020900 2 2.85859900 -0.34197000 2 0.88750200 TH-ECP GEN 78 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 3 ----- S-H POTENTIAL ----- 113.32646600 2 4.06365300 15.66375500 2 1.88399500 -2.76590200 2 0.88656700 3 ----- P-H POTENTIAL ----- 115.95348300 2 3.98618100 15.76219000 2 2.00016000 1.37885000 2 0.96084100 3 ----- D-H POTENTIAL ----- 59.74781100 2 4.14797200 17.82068300 2 2.23456300 6.91366100 2 0.91369500 3 ----- F-H POTENTIAL ----- 49.62437800 2 3.99893800 -26.64186100 2 1.99884000 1.76274800 2 0.99564100 2 ----- G-H POTENTIAL ----- -28.59594100 2 3.16637900 -0.30965300 2 0.86010500 PA-ECP GEN 78 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 3 ----- S-H POTENTIAL ----- 113.29484400 2 4.06365300 15.51386300 2 1.88399500 -3.14394300 2 0.88656700 3 ----- P-H POTENTIAL ----- 115.89528800 2 3.98618100 15.48629100 2 2.00016000 0.97628300 2 0.96084100 3 ----- D-H POTENTIAL ----- 59.66921300 2 4.14797200 17.34372600 2 2.23456300 6.44469800 2 0.91369500 3 ----- F-H POTENTIAL ----- 51.67708300 2 3.99893800 -22.94129000 2 1.99884000 0.45025800 2 0.99564100 2 ----- G-H POTENTIAL ----- -31.87331800 2 3.48065000 -0.31139900 2 0.86010500 U-ECP GEN 78 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 3 ----- S-H POTENTIAL ----- 112.92010300 2 4.06365300 15.64750000 2 1.88399500 -3.68997100 2 0.88656700 3 ----- P-H POTENTIAL ----- 118.75801600 2 3.98618100 15.07722800 2 2.00016000 0.55672000 2 0.96084100 3 ----- D-H POTENTIAL ----- 60.85589200 2 4.14797200 29.28004700 2 2.23456300 4.99802900 2 0.91369500 3 ----- F-H POTENTIAL ----- 49.92403500 2 3.99893800 -24.67404200 2 1.99884000 1.38948000 2 0.99564100 2 ----- G-H POTENTIAL ----- -36.04097700 2 3.81742200 -0.09051100 2 0.26250100 NP-ECP GEN 78 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 3 ----- S-H POTENTIAL ----- 112.93486000 2 4.06365300 15.54943200 2 1.88399500 -4.13585700 2 0.88656700 3 ----- P-H POTENTIAL ----- 118.82359400 2 3.98618100 15.28048700 2 2.00016000 0.02369600 2 0.96084100 3 ----- D-H POTENTIAL ----- 60.81340100 2 4.14797200 28.99230800 2 2.23456300 4.44499000 2 0.91369500 3 ----- F-H POTENTIAL ----- 49.54043100 2 3.99893800 -25.56675700 2 1.99884000 1.88888600 2 0.99564100 2 ----- G-H POTENTIAL ----- -39.83411400 2 4.20153100 -0.14165500 2 0.34507800 PU-ECP GEN 78 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 3 ----- S-H POTENTIAL ----- 113.80667800 2 4.06365300 16.00076100 2 1.88399500 -4.83994900 2 0.88656700 3 ----- P-H POTENTIAL ----- 118.76901400 2 3.98618100 15.00546500 2 2.00016000 -0.44582000 2 0.96084100 3 ----- D-H POTENTIAL ----- 60.83801500 2 4.14797200 29.14099100 2 2.23456300 3.92557300 2 0.91369500 3 ----- F-H POTENTIAL ----- 49.57833400 2 3.99893800 -25.37099200 2 1.99884000 1.92996500 2 0.99564100 2 ----- G-H POTENTIAL ----- -32.53511100 2 3.47990400 0.23591700 2 0.16371800 AM-ECP GEN 78 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 3 ----- S-H POTENTIAL ----- 153.79716900 2 4.06365300 -10.63985500 2 1.88399500 1.27070900 2 0.88656700 3 ----- P-H POTENTIAL ----- 118.77906400 2 3.98618100 14.95569600 2 2.00016000 -1.04628000 2 0.96084100 3 ----- D-H POTENTIAL ----- 60.83377800 2 4.14797200 29.09948900 2 2.23456300 3.33361000 2 0.91369500 3 ----- F-H POTENTIAL ----- 48.97113700 2 3.99893800 -26.59585400 2 1.99884000 2.47738400 2 0.99564100 2 ----- G-H POTENTIAL ----- -37.95557200 2 3.94020500 0.24965900 2 0.17460900 CM-ECP GEN 78 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 3 ----- S-H POTENTIAL ----- 253.67174600 2 4.06365300 -11.65215900 2 1.88399500 -3.39677000 2 0.88656700 3 ----- P-H POTENTIAL ----- 118.74048600 2 3.98618100 14.87157000 2 2.00016000 -1.17650900 2 0.96084100 3 ----- D-H POTENTIAL ----- 60.90102300 2 4.14797200 29.50038500 2 2.23456300 3.20672900 2 0.91369500 3 ----- F-H POTENTIAL ----- 47.23461400 2 3.99893800 -28.71545300 2 1.99884000 3.78352100 2 0.99564100 2 ----- G-H POTENTIAL ----- -39.54389400 2 4.08215300 0.43072600 2 0.27418200 BK-ECP GEN 78 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 3 ----- S-H POTENTIAL ----- 203.63782900 2 4.06365300 -11.66776100 2 1.88399500 -2.22777600 2 0.88656700 3 ----- P-H POTENTIAL ----- 118.71541000 2 3.98618100 14.61461600 2 2.00016000 -2.06267900 2 0.96084100 3 ----- D-H POTENTIAL ----- 60.82971100 2 4.14797200 29.05802700 2 2.23456300 2.63108000 2 0.91369500 3 ----- F-H POTENTIAL ----- 49.01888600 2 3.99893800 -26.01017100 2 1.99884000 2.50941800 2 0.99564100 2 ----- G-H POTENTIAL ----- -44.64169500 2 4.54679200 0.44015300 2 0.29525300 CF-ECP GEN 78 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 3 ----- S-H POTENTIAL ----- 263.52760900 2 4.06365300 -12.59516700 2 1.88399500 -5.52088700 2 0.88656700 3 ----- P-H POTENTIAL ----- 118.66891000 2 3.98618100 14.42269600 2 2.00016000 -2.42664400 2 0.96084100 3 ----- D-H POTENTIAL ----- 60.81865300 2 4.14797200 28.98946900 2 2.23456300 2.26659100 2 0.91369500 3 ----- F-H POTENTIAL ----- 48.41537600 2 3.99893800 -26.42191600 2 1.99884000 2.89169200 2 0.99564100 2 ----- G-H POTENTIAL ----- -52.58700800 2 5.23249100 0.35204400 2 0.24375100 ES-ECP GEN 78 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 3 ----- S-H POTENTIAL ----- 253.52183000 2 4.06365300 -12.75850100 2 1.88399500 -5.80075300 2 0.88656700 3 ----- P-H POTENTIAL ----- 118.67415200 2 3.98618100 14.34295900 2 2.00016000 -2.99442700 2 0.96084100 3 ----- D-H POTENTIAL ----- 60.84486900 2 4.14797200 29.12341200 2 2.23456300 1.81106500 2 0.91369500 3 ----- F-H POTENTIAL ----- 48.23279100 2 3.99893800 -27.28767500 2 1.99884000 3.32039600 2 0.99564100 2 ----- G-H POTENTIAL ----- -57.40782000 2 5.67453900 0.39380000 2 0.27173000 FM-ECP GEN 78 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 3 ----- S-H POTENTIAL ----- 253.47684100 2 4.06365300 -12.92052300 2 1.88399500 -6.59105600 2 0.88656700 3 ----- P-H POTENTIAL ----- 118.70685700 2 3.98618100 14.36063100 2 2.00016000 -3.66308700 2 0.96084100 3 ----- D-H POTENTIAL ----- 60.81616300 2 4.14797200 28.94595500 2 2.23456300 1.40080400 2 0.91369500 3 ----- F-H POTENTIAL ----- 47.93239700 2 3.99893800 -27.41319600 2 1.99884000 3.46457700 2 0.99564100 2 ----- G-H POTENTIAL ----- -62.12683600 2 6.11905300 0.43957200 2 0.30355100 MD-ECP GEN 78 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 3 ----- S-H POTENTIAL ----- 303.34312900 2 4.06365300 -13.76866300 2 1.88399500 -9.54512900 2 0.88656700 3 ----- P-H POTENTIAL ----- 118.59677000 2 3.98618100 13.97306800 2 2.00016000 -4.30323200 2 0.96084100 3 ----- D-H POTENTIAL ----- 60.83176900 2 4.14797200 29.00987900 2 2.23456300 0.98395900 2 0.91369500 3 ----- F-H POTENTIAL ----- 47.92292900 2 3.99893800 -27.02507800 2 1.99884000 3.38675800 2 0.99564100 2 ----- G-H POTENTIAL ----- -67.00676500 2 6.58211900 0.48622000 2 0.33454200 NO-ECP GEN 78 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 3 ----- S-H POTENTIAL ----- 303.28133500 2 4.06365300 -14.01662400 2 1.88399500 -9.93506500 2 0.88656700 3 ----- P-H POTENTIAL ----- 118.53292600 2 3.98618100 13.75407000 2 2.00016000 -4.28920100 2 0.96084100 3 ----- D-H POTENTIAL ----- 60.91964600 2 4.14797200 29.43015900 2 2.23456300 0.73652500 2 0.91369500 3 ----- F-H POTENTIAL ----- 45.87535300 2 3.99893800 -29.56441300 2 1.99884000 4.86016100 2 0.99564100 2 ----- G-H POTENTIAL ----- -72.34498500 2 7.08177000 0.53059700 2 0.35922300 LR-ECP GEN 78 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 3 ----- S-H POTENTIAL ----- 353.22492000 2 4.06365300 -14.71008000 2 1.88399500 -12.35925600 2 0.88656700 3 ----- P-H POTENTIAL ----- 118.52595600 2 3.98618100 13.72360000 2 2.00016000 -4.44357700 2 0.96084100 3 ----- D-H POTENTIAL ----- 61.13011400 2 4.14797200 30.32674300 2 2.23456300 0.46421900 2 0.91369500 3 ----- F-H POTENTIAL ----- 44.05127800 2 3.99893800 -31.82235300 2 1.99884000 6.37356600 2 0.99564100 2 ----- G-H POTENTIAL ----- -76.80026400 2 7.53958500 0.58357600 2 0.40042600 Stuttgart RSC 1997 ECP 4599 ! ! BASIS="Stuttgart RSC 1997 ECP" !Elements References !-------- ---------- !K : A. Bergner, M. Dolg, W. Kuechle, H. Stoll, H. Preuss, Mol. Phys. 80, ! 1431 (1993). !Ca : M. Kaupp, P. v. R. Schleyer, H. Stoll, H. Preuss, J. Chem. Phys. 94, ! 1360 (1991). !Rf - Ha: M. Dolg, H. Stoll, H. Preuss, R.M. Pitzer, J. Phys. Chem. 97, 5852 ! (1993). ! POTASSIUM ! (7s,6p)->[5s,4p] S 3 1 8.223362000 0.1041450000 2 3.797211000 -0.4391580000 3 1.331607000 0.5219100000E-01 S 1 1 0.6662820000 1.000000000 S 1 1 0.2728070000 1.000000000 S 1 1 0.3709200000E-01 1.000000000 S 1 1 0.1654300000E-01 1.000000000 P 3 1 21.60567000 -0.1173700000E-01 2 1.100212000 -0.4076750000 3 0.5043450000 -0.3332920000 P 1 1 0.3178690000 1.000000000 P 1 1 0.1481500000 1.000000000 P 1 1 0.2213900000E-01 1.000000000 CALCIUM ! (6s,6p,5d)->[4s,4p,2d] S 3 1 12.30752100 0.5874000000E-01 2 4.393151000 -0.4013440000 3 0.9379750000 0.5928750000 S 1 1 0.4216880000 1.000000000 S 1 1 0.5801700000E-01 1.000000000 S 1 1 0.2322200000E-01 1.000000000 P 3 1 5.974286000 -0.8230200000E-01 2 1.567406000 0.3465110000 3 0.6562420000 0.5601470000 P 1 1 0.2584980000 1.000000000 P 1 1 0.8100000000E-01 1.000000000 P 1 1 0.3000000000E-01 1.000000000 D 3 1 7.231700000 0.5036000000E-01 2 1.964869000 0.1733430000 3 0.6203030000 0.3019780000 D 2 1 0.1812600000 0.4380550000 2 0.4910700000E-01 0.4647200000 SCANDIUM ! (8s,7p,6d,1f)->[6s,5p,3d,1f] S 3 1 10.00926000 1.007896000 2 8.470762000 -1.176655000 3 4.179116000 -0.8026470000 S 1 1 1.069208000 1.000000000 S 1 1 0.4412480000 1.000000000 S 1 1 0.6443200000E-01 1.000000000 S 1 1 0.2720000000E-01 1.000000000 S 1 1 0.1000000000E-01 1.000000000 P 2 1 41.71184600 0.2091200000E-01 2 6.026015000 -1.007329000 P 2 1 2.715995000 0.2536440000 2 1.056914000 0.7926430000 P 1 1 0.3769410000 1.000000000 P 1 1 0.7416100000E-01 1.000000000 P 1 1 0.2380500000E-01 1.000000000 D 4 1 16.27354800 0.3555900000E-01 2 4.800049000 0.1693560000 3 1.541293000 0.4204460000 4 0.4681800000 0.6173140000 D 1 1 0.1227990000 1.000000000 D 1 1 0.4000000000E-01 1.000000000 F 1 1 0.2700000000 1.000000000 TITANIUM ! (8s,7p,6d,1f)->[6s,5p,3d,1f] S 3 1 10.78036500 1.783892000 2 9.717013000 -2.000689000 3 4.507755000 -0.7563330000 S 1 1 1.246708000 1.000000000 S 1 1 0.5087070000 1.000000000 S 1 1 0.7343800000E-01 1.000000000 S 1 1 0.3004800000E-01 1.000000000 S 1 1 0.1000000000E-01 1.000000000 P 2 1 17.56638100 0.8860100000E-01 2 7.705844000 -1.070746000 P 2 1 3.329138000 0.2001090000 2 1.308104000 0.8379860000 P 1 1 0.4544820000 1.000000000 P 1 1 0.7177200000E-01 1.000000000 P 1 1 0.2378400000E-01 1.000000000 D 4 1 19.51919400 0.3581400000E-01 2 5.864613000 0.1723730000 3 1.928038000 0.4251360000 4 0.6065630000 0.6025950000 D 1 1 0.1639610000 1.000000000 D 1 1 0.5000000000E-01 1.000000000 F 1 1 0.5000000000 1.000000000 VANADIUM ! (8s7p6d1f)->[6s5p3d1f] S 3 1 12.84320800 1.140643000 2 11.37575300 -1.218803000 3 5.406974000 -0.8929030000 S 1 1 1.465927000 1.000000000 S 1 1 0.5980800000 1.000000000 S 1 1 0.8879000000E-01 1.000000000 S 1 1 0.3531800000E-01 1.000000000 S 1 1 0.1000000000E-01 1.000000000 P 2 1 31.88986800 0.3940700000E-01 2 8.237178000 -1.022603000 P 2 1 4.328373000 0.1927560000 2 1.540526000 0.8511680000 P 1 1 0.5280810000 1.000000000 P 1 1 0.8996200000E-01 1.000000000 P 1 1 0.2639300000E-01 1.000000000 D 4 1 22.68043300 0.3629300000E-01 2 6.861312000 0.1773010000 3 2.275445000 0.4304290000 4 0.7319220000 0.5893030000 D 1 1 0.2007460000 1.000000000 D 1 1 0.6000000000E-01 1.000000000 F 1 1 0.7700000000 1.000000000 CHROMIUM ! (8s7p6d1f)->[6s5p3d1f] S 3 1 14.05345000 0.8856240000 2 11.73521800 -1.030132000 3 5.904915000 -0.8267290000 S 1 1 1.634665000 1.000000000 S 1 1 0.6629310000 1.000000000 S 1 1 0.9780000000E-01 1.000000000 S 1 1 0.3770500000E-01 1.000000000 S 1 1 0.1000000000E-01 1.000000000 P 2 1 51.31766400 0.2967200000E-01 2 9.321498000 -1.012760000 P 2 1 3.741121000 0.2577460000 2 1.510214000 0.7859170000 P 1 1 0.5379560000 1.000000000 P 1 1 0.9340800000E-01 1.000000000 P 1 1 0.2664500000E-01 1.000000000 D 4 1 26.78143900 0.3497000000E-01 2 8.231640000 0.1721950000 3 2.781645000 0.4270320000 4 0.9036780000 0.5929390000 D 1 1 0.2492580000 1.000000000 D 1 1 0.7000000000E-01 1.000000000 F 1 1 1.600000000 1.000000000 MANGANESE ! (8s7p6d1f)->[6s5p3d1f] S 3 1 15.56400100 1.099789000 2 13.28692800 -1.305851000 3 6.137281000 -0.7680240000 S 1 1 1.765983000 1.000000000 S 1 1 0.7137740000 1.000000000 S 1 1 0.9832800000E-01 1.000000000 S 1 1 0.3709700000E-01 1.000000000 S 1 1 0.1000000000E-01 1.000000000 P 2 1 27.43206100 0.8385100000E-01 2 11.36687300 -1.064965000 P 2 1 4.452540000 0.2026520000 2 1.853459000 0.8317540000 P 1 1 0.6451800000 1.000000000 P 1 1 0.1030440000 1.000000000 P 1 1 0.2829600000E-01 1.000000000 D 4 1 29.51422300 0.3716200000E-01 2 8.962824000 0.1827450000 3 3.027967000 0.4356070000 4 0.9832920000 0.5770530000 D 1 1 0.2703250000 1.000000000 D 1 1 0.7000000000E-01 1.000000000 F 1 1 1.800000000 1.000000000 IRON ! (8s7p6d1f)->[6s5p3d1f] S 3 1 20.51302800 0.2347140000 2 9.776792000 -0.8775270000 3 4.573599000 -0.3416360000 S 1 1 1.949910000 1.000000000 S 1 1 0.7664880000 1.000000000 S 1 1 0.1007980000 1.000000000 S 1 1 0.3751600000E-01 1.000000000 S 1 1 0.1000000000E-01 1.000000000 P 2 1 63.12532600 0.2714700000E-01 2 11.65685500 -1.011875000 P 2 1 5.178661000 0.2151680000 2 2.035532000 0.8250950000 P 1 1 0.7088180000 1.000000000 P 1 1 0.1101680000 1.000000000 P 1 1 0.2944400000E-01 1.000000000 D 4 1 33.66679000 0.3652900000E-01 2 10.23569500 0.1828250000 3 3.466488000 0.4370690000 4 1.127296000 0.5751780000 D 1 1 0.3082470000 1.000000000 D 1 1 0.8000000000E-01 1.000000000 F 1 1 2.000000000 1.000000000 COBALT ! (8s7p6d1f)->[6s5p3d1f] S 3 1 20.90800100 0.3980530000 2 13.90623400 -0.6490520000 3 7.328543000 -0.7234530000 S 1 1 2.136324000 1.000000000 S 1 1 0.8528220000 1.000000000 S 1 1 0.1066920000 1.000000000 S 1 1 0.3934600000E-01 1.000000000 S 1 1 0.1000000000E-01 1.000000000 P 2 1 67.03444300 0.2937000000E-01 2 13.26233400 -1.013626000 P 2 1 5.690650000 0.2038650000 2 2.271940000 0.8336450000 P 1 1 0.7889110000 1.000000000 P 1 1 0.1183550000 1.000000000 P 1 1 0.3059400000E-01 1.000000000 D 4 1 36.84052000 0.3805600000E-01 2 11.17367500 0.1889250000 3 3.797564000 0.4410510000 4 1.239262000 0.5656970000 D 1 1 0.3394000000 1.000000000 D 1 1 0.9000000000E-01 1.000000000 F 1 1 2.200000000 1.000000000 NICKEL ! (8s7p6d1f)->[6s5p3d1f] S 3 1 23.45799100 0.3454240000 2 14.86939200 -0.5950120000 3 8.054154000 -0.7248490000 S 1 1 2.319824000 1.000000000 S 1 1 0.9234620000 1.000000000 S 1 1 0.1099550000 1.000000000 S 1 1 0.4013400000E-01 1.000000000 S 1 1 0.1000000000E-01 1.000000000 P 2 1 78.03878000 0.2700800000E-01 2 14.77444000 -1.012081000 P 2 1 6.151352000 0.2021950000 2 2.496421000 0.8339200000 P 1 1 0.8667020000 1.000000000 P 1 1 0.1264990000 1.000000000 P 1 1 0.3178400000E-01 1.000000000 D 4 1 40.78904800 0.3842500000E-01 2 12.34760100 0.1914980000 3 4.207049000 0.4430750000 4 1.375413000 0.5612160000 D 1 1 0.3761470000 1.000000000 D 1 1 0.9000000000E-01 1.000000000 F 1 1 2.400000000 1.000000000 COPPER ! (8s7p6d)->[6s5p3d] S 3 1 27.69632000 0.2311320000 2 13.50535000 -0.6568110000 3 8.815355000 -0.5458750000 S 1 1 2.380805000 1.000000000 S 1 1 0.9526160000 1.000000000 S 1 1 0.1126620000 1.000000000 S 1 1 0.4048600000E-01 1.000000000 S 1 1 0.1000000000E-01 1.000000000 P 2 1 93.50432700 0.2282900000E-01 2 16.28546400 -1.009513000 P 2 1 5.994236000 0.2464500000 2 2.536875000 0.7920240000 P 1 1 0.8979340000 1.000000000 P 1 1 0.1317290000 1.000000000 P 1 1 0.3087800000E-01 1.000000000 D 4 1 41.22500600 0.4469400000E-01 2 12.34325000 0.2121060000 3 4.201920000 0.4534230000 4 1.379825000 0.5334650000 D 1 1 0.3834530000 1.000000000 D 1 1 0.1000000000 1.000000000 ZINC ! (8s7p6d)->[6s5p3d] S 3 1 30.32412700 0.2191430000 2 16.31668200 -0.2325560000 3 11.40814800 -0.9546850000 S 1 1 2.569492000 1.000000000 S 1 1 1.062595000 1.000000000 S 1 1 0.1515530000 1.000000000 S 1 1 0.5274700000E-01 1.000000000 S 1 1 0.1000000000E-01 1.000000000 P 2 1 111.8249800 0.2327700000E-01 2 19.13191000 -1.009539000 P 2 1 5.468838000 0.3201510000 2 2.505675000 0.7180850000 P 1 1 0.9418680000 1.000000000 P 1 1 0.1711310000 1.000000000 P 1 1 0.4998600000E-01 1.000000000 D 4 1 44.64562900 0.4724900000E-01 2 13.43837700 0.2189260000 3 4.682000000 0.4525120000 4 1.603211000 0.5185760000 D 1 1 0.4827660000 1.000000000 D 1 1 0.1100000000 1.000000000 RUBIDIUM ! (7s,6p)->[5s,4p] S 3 1 4.727461000 0.2813290000 2 2.930825000 -0.6748920000 3 0.6018490000 0.4587790000 S 1 1 0.4662440000 1.000000000 S 1 1 0.2464630000 1.000000000 S 1 1 0.5337900000E-01 1.000000000 S 1 1 0.2101800000E-01 1.000000000 P 3 1 5.608470000 0.4980500000E-01 2 3.452727000 -0.1664410000 3 0.7543740000 0.4348340000 P 1 1 0.3279740000 1.000000000 P 1 1 0.1417970000 1.000000000 P 1 1 0.2050600000E-01 1.000000000 STRONTIUM ! (6s,6p,5d)->[4s,4p,2d] S 3 1 5.879157000 0.1967090000 2 3.092482000 -0.6258980000 3 0.6446670000 0.7357230000 S 1 1 0.2988760000 1.000000000 S 1 1 0.5727600000E-01 1.000000000 S 1 1 0.2387000000E-01 1.000000000 P 3 1 2.432472000 -0.3748990000 2 1.664234000 0.3876150000 3 0.5699890000 0.6558380000 P 1 1 0.2207180000 1.000000000 P 1 1 0.6762900000E-01 1.000000000 P 1 1 0.2672700000E-01 1.000000000 D 3 1 3.618081000 -0.7501000000E-02 2 0.9966560000 0.1080980000 3 0.3907350000 0.2785400000 D 2 1 0.1227700000 0.4773180000 2 0.3665500000E-01 0.4481830000 YTTRIUM ! (8s,7p,6d)->[6s,5p,3d] S 3 1 5.132958000 -1.387510700 2 4.240192000 1.944512800 3 1.298280000 0.4416434000 S 1 1 0.8321130000 1.000000000 S 1 1 0.3499050000 1.000000000 S 1 1 0.6655100000E-01 1.000000000 S 1 1 0.2865900000E-01 1.000000000 S 1 1 0.1000000000E-01 1.000000000 P 2 1 2.727920000 -3.584184600 2 1.979050000 3.021205700 P 2 1 0.8734760000 0.4638586000 2 0.4410670000 0.5708554000 P 1 1 0.1838150000 1.000000000 P 1 1 0.6056700000E-01 1.000000000 P 1 1 0.2223600000E-01 1.000000000 D 4 1 2.900709000 -0.8382050000E-01 2 2.099792000 0.1525870000 3 0.6182520000 0.4792681000 4 0.2001840000 0.6007504000 D 1 1 0.6118900000E-01 1.000000000 D 1 1 0.2000000000E-01 1.000000000 ZIRCONIUM ! (8s,7p,6d)->[6s,5p,3d] S 3 1 5.873789000 -0.9736630000 2 4.287270000 1.709182200 3 1.464137000 0.2438310000 S 1 1 0.8312450000 1.000000000 S 1 1 0.3623350000 1.000000000 S 1 1 0.7935700000E-01 1.000000000 S 1 1 0.3392000000E-01 1.000000000 S 1 1 0.1100000000E-01 1.000000000 P 2 1 2.874224000 -4.218101300 2 2.119901000 4.047943100 P 2 1 0.8513640000 0.5709451000 2 0.4372920000 0.4621080000 P 1 1 0.2029040000 1.000000000 P 1 1 0.6325900000E-01 1.000000000 P 1 1 0.2252300000E-01 1.000000000 D 4 1 2.580137000 -0.9321310000E-01 2 1.855396000 0.2213570000 3 0.6807540000 0.4684427000 4 0.2566910000 0.5391950000 D 1 1 0.8940000000E-01 1.000000000 D 1 1 0.3000000000E-01 1.000000000 NIOBIUM ! (8s7p6d)->[6s5p3d] S 3 1 6.566301000 -0.8582654000 2 4.586438000 1.304167200 3 3.753770000 0.5069043000 S 1 1 0.8898710000 1.000000000 S 1 1 0.4071380000 1.000000000 S 1 1 0.9427100000E-01 1.000000000 S 1 1 0.3987900000E-01 1.000000000 S 1 1 0.1100000000E-01 1.000000000 P 2 1 3.070063000 -3.904431500 2 2.237964000 4.068807000 P 2 1 0.8522550000 0.6713910000 2 0.5044360000 0.3474365000 P 1 1 0.2668000000 1.000000000 P 1 1 0.6873200000E-01 1.000000000 P 1 1 0.2344400000E-01 1.000000000 D 4 1 4.053563000 -0.2042010000E-01 2 1.652600000 0.2089854000 3 0.7068590000 0.4705515000 4 0.2863670000 0.4758860000 D 1 1 0.1087570000 1.000000000 D 1 1 0.3300000000E-01 1.000000000 MOLYBDENUM ! (8s7p6d)->[6s5p3d] S 3 1 7.203380000 -0.8262973000 2 5.052295000 1.467561600 3 2.913533000 0.3189549000 S 1 1 1.028993000 1.000000000 S 1 1 0.4695340000 1.000000000 S 1 1 0.1100140000 1.000000000 S 1 1 0.4611500000E-01 1.000000000 S 1 1 0.1500000000E-01 1.000000000 P 2 1 3.151866000 -4.738143500 2 2.453482000 5.019040000 P 2 1 0.8787730000 0.7493629000 2 0.4907910000 0.2705697000 P 1 1 0.2847140000 1.000000000 P 1 1 0.7118200000E-01 1.000000000 P 1 1 0.2360700000E-01 1.000000000 D 4 1 5.034770000 -0.2394300000E-01 2 1.802149000 0.2194576000 3 0.8072500000 0.4611714000 4 0.3390050000 0.4671210000 D 1 1 0.1283420000 1.000000000 D 1 1 0.4300000000E-01 1.000000000 TECHNETIUM ! (8s7p6d)->[6s5p3d] S 3 1 7.434402000 -1.112518000 2 5.551327000 1.814499800 3 3.023086000 0.2569292000 S 1 1 1.084669000 1.000000000 S 1 1 0.4925850000 1.000000000 S 1 1 0.1138960000 1.000000000 S 1 1 0.4688700000E-01 1.000000000 S 1 1 0.1600000000E-01 1.000000000 P 2 1 3.449005000 -4.816138100 2 2.692737000 5.086605400 P 2 1 0.9594840000 0.7449072000 2 0.4852130000 0.2826863000 P 1 1 0.2814900000 1.000000000 P 1 1 0.6837100000E-01 1.000000000 P 1 1 0.2261300000E-01 1.000000000 D 4 1 5.122268000 -0.3323760000E-01 2 1.954015000 0.2467387000 3 0.8547560000 0.4802380000 4 0.3605810000 0.4288664000 D 1 1 0.1412750000 1.000000000 D 1 1 0.4700000000E-01 1.000000000 RUTHENIUM ! (8s7p6d)->[6s5p3d] S 3 1 7.936570000 -1.119665600 2 5.984245000 1.445329300 3 4.882220000 0.6261653000 S 1 1 1.144624000 1.000000000 S 1 1 0.5230170000 1.000000000 S 1 1 0.1175730000 1.000000000 S 1 1 0.4805000000E-01 1.000000000 S 1 1 0.1600000000E-01 1.000000000 P 2 1 3.754609000 -4.722656500 2 2.916571000 4.990908400 P 2 1 1.048675000 0.7285467000 2 0.5073200000 0.3039043000 P 1 1 0.2673980000 1.000000000 P 1 1 0.6974800000E-01 1.000000000 P 1 1 0.2292700000E-01 1.000000000 D 4 1 6.009913000 -0.3271600000E-01 2 2.104280000 0.2657392000 3 0.9215000000 0.4812398000 4 0.3885980000 0.4099778000 D 1 1 0.1528360000 1.000000000 D 1 1 0.5100000000E-01 1.000000000 RHODIUM ! (8s7p6d)->[6s5p3d] S 3 1 7.917744000 -2.415577500 2 6.841207000 3.098738200 3 2.959840000 0.2821256000 S 1 1 1.334341000 1.000000000 S 1 1 0.5988100000 1.000000000 S 1 1 0.1218940000 1.000000000 S 1 1 0.4945200000E-01 1.000000000 S 1 1 0.1600000000E-01 1.000000000 P 2 1 4.136079000 -3.344354500 2 2.946281000 3.703744000 P 2 1 1.122304000 0.7462258000 2 0.6661770000 0.2698833000 P 1 1 0.3657430000 1.000000000 P 1 1 0.7668600000E-01 1.000000000 P 1 1 0.2417000000E-01 1.000000000 D 4 1 7.032892000 -0.1616040000E-01 2 2.309819000 0.2763987000 3 0.9982280000 0.4850026000 4 0.4170570000 0.3930199000 D 1 1 0.1644470000 1.000000000 D 1 1 0.5500000000E-01 1.000000000 PALLADIUM ! (8s7p6d)->[6s5p3d] S 3 1 8.475640000 -2.164249700 2 7.165717000 2.892828600 3 3.182110000 0.2339564000 S 1 1 1.406357000 1.000000000 S 1 1 0.6239210000 1.000000000 S 1 1 0.1233030000 1.000000000 S 1 1 0.4936000000E-01 1.000000000 S 1 1 0.1600000000E-01 1.000000000 P 2 1 4.246097000 -5.250302500 2 3.392594000 5.552785000 P 2 1 1.216185000 0.7577315000 2 0.6396240000 0.2660046000 P 1 1 0.3726570000 1.000000000 P 1 1 0.7917500000E-01 1.000000000 P 1 1 0.2475400000E-01 1.000000000 D 4 1 7.169612000 -0.1850040000E-01 2 2.561263000 0.2769690000 3 1.109669000 0.4859035000 4 0.4622960000 0.3930651000 D 1 1 0.1815250000 1.000000000 D 1 1 0.6000000000E-01 1.000000000 SILVER ! (8s7p6d)->[6s5p3d] S 3 1 9.088442000 -1.964813200 2 7.540731000 2.733219400 3 2.794005000 0.1991148000 S 1 1 1.480158000 1.000000000 S 1 1 0.6538510000 1.000000000 S 1 1 0.1244880000 1.000000000 S 1 1 0.4926400000E-01 1.000000000 S 1 1 0.1600000000E-01 1.000000000 P 2 1 4.451240000 -6.083378000 2 3.675263000 6.416854300 P 2 1 1.291288000 0.7539735000 2 0.6525780000 0.2730597000 P 1 1 0.3670360000 1.000000000 P 1 1 0.7569400000E-01 1.000000000 P 1 1 0.2372300000E-01 1.000000000 D 4 1 7.994730000 -0.1638760000E-01 2 2.784773000 0.2814107000 3 1.209744000 0.4863264000 4 0.5053930000 0.3867258000 D 1 1 0.1988510000 1.000000000 D 1 1 0.6600000000E-01 1.000000000 CADMIUM ! (8s7p6d)->[6s5p3d] S 3 1 9.727011000 -1.786425900 2 7.837523000 2.577894800 3 5.089194000 0.1601171000 S 1 1 1.553326000 1.000000000 S 1 1 0.7140790000 1.000000000 S 1 1 0.1507840000 1.000000000 S 1 1 0.5746700000E-01 1.000000000 S 1 1 0.1900000000E-01 1.000000000 P 2 1 4.742716000 -6.231199400 2 3.936655000 6.574192000 P 2 1 1.380391000 0.7497265000 2 0.6684850000 0.2811082000 P 1 1 0.3634230000 1.000000000 P 1 1 0.1062530000 1.000000000 P 1 1 0.3664400000E-01 1.000000000 D 4 1 8.469341000 -0.1636060000E-01 2 3.024231000 0.2864728000 3 1.316367000 0.4868518000 4 0.5563930000 0.3794111000 D 1 1 0.2238560000 1.000000000 D 1 1 0.7500000000E-01 1.000000000 CESIUM ! (7s,6p)->[5s,4p] S 3 1 5.800659000 0.1273450000 2 4.298432000 -0.3499010000 3 1.807221000 0.7020420000 S 1 1 0.3889220000 1.000000000 S 1 1 0.1756520000 1.000000000 S 1 1 0.3106300000E-01 1.000000000 S 1 1 0.1315200000E-01 1.000000000 P 3 1 3.738376000 0.7097100000E-01 2 2.110247000 -0.2530570000 3 0.5588830000 0.3005760000 P 1 1 0.2818250000 1.000000000 P 1 1 0.1199910000 1.000000000 P 1 1 0.1575000000E-01 1.000000000 BARIUM ! (6s,6p,5d,1f)->[4s,4p,2d,1f] S 3 1 2.396190000 -5.928895000 2 2.243305000 6.646934000 3 0.7174020000 -0.5514370000 S 1 1 0.2784460000 1.000000000 S 1 1 0.4318800000E-01 1.000000000 S 1 1 0.1979800000E-01 1.000000000 P 3 1 2.926742000 0.7633590000 2 2.520718000 -1.022014000 3 0.5240950000 0.6498360000 P 1 1 0.2034280000 1.000000000 P 1 1 0.4799600000E-01 1.000000000 P 1 1 0.2009500000E-01 1.000000000 D 3 1 0.9663150000 -0.9089380000 2 0.8938280000 0.9472400000 3 0.2731950000 0.3220570000 D 2 1 0.1038910000 0.4732600000 2 0.3557800000E-01 0.3659770000 F 1 1 0.6970000000 1.000000000 CERIUM ! (12s,11p,9d,8f) -> [5s,5p,4d,3f] S 10 1 3898.598300 0.1397000000E-03 2 587.5621400 0.7252000000E-03 3 56.22895700 0.7107830000E-01 4 40.16354000 -0.3791780000 5 28.68824300 0.6405994000 6 11.67211500 -0.9724702000 7 3.041333000 0.9697800000 8 1.567713000 0.4289225000 9 0.5958300000 0.2055450000E-01 10 0.2635530000 -0.2232400000E-02 S 10 1 3898.598300 -0.6900000000E-04 2 587.5621400 -0.4085000000E-03 3 56.22895700 -0.2640380000E-01 4 40.16354000 0.1533613000 5 28.68824300 -0.2790924000 6 11.67211500 0.4901745000 7 3.041333000 -0.7006985000 8 1.567713000 -0.5149331000 9 0.5958300000 0.7856935000 10 0.2635530000 0.6357345000 S 10 1 3898.598300 0.1960000000E-04 2 587.5621400 0.1157000000E-03 3 56.22895700 0.7379900000E-02 4 40.16354000 -0.4275480000E-01 5 28.68824300 0.7796250000E-01 6 11.67211500 -0.1388585000 7 3.041333000 0.2111850000 8 1.567713000 0.1634830000 9 0.5958300000 -0.3033091000 10 0.2635530000 -0.4402986000 S 1 1 0.2067600000E-01 1.000000000 S 1 1 0.4895200000E-01 1.000000000 P 8 1 228.1454400 -0.7743000000E-03 2 28.77645300 0.6849000000E-02 3 20.38080400 -0.1958454000 4 14.55771700 0.4169099000 5 4.137034000 -0.5395683000 6 2.159848000 -0.5237725000 7 1.018083000 -0.1154538000 8 0.5541700000 0.3879600000E-02 P 8 1 228.1454400 -0.3179000000E-03 2 28.77645300 -0.5203400000E-02 3 20.38080400 -0.5664680000E-01 4 14.55771700 0.1571566000 5 4.137034000 -0.2904912000 6 2.159848000 -0.3005688000 7 1.018083000 0.8317600000E-01 8 0.5541700000 0.5241062000 P 1 1 0.1107100000 1.000000000 P 1 1 0.2636410000 1.000000000 P 1 1 0.5000000000E-01 1.000000000 D 6 1 55.99945800 0.4641200000E-02 2 11.83002300 -0.1325035000 3 8.358716000 0.2383096000 4 3.938913000 0.4536999000 5 2.003839000 0.3858069000 6 1.004577000 0.1443974000 D 1 1 0.1424300000 1.000000000 D 1 1 0.4658530000 1.000000000 D 1 1 0.4000000000E-01 1.000000000 F 6 1 65.49671100 -0.8415800000E-02 2 24.73690700 -0.5824770000E-01 3 10.44307300 -0.1614187000 4 4.658832000 -0.2857250000 5 2.091304000 -0.3499457000 6 0.9193210000 -0.3136248000 F 1 1 0.3813310000 1.000000000 F 1 1 0.1404000000 1.000000000 PRASEODYNIUM ! (12s,11p,9d,8f) -> [5s,5p,4d,3f] S 10 1 3975.177300 0.2373000000E-03 2 598.7570700 0.1240400000E-02 3 66.33791900 0.3818550000E-01 4 41.44061100 -0.3103178000 5 29.60043600 0.6011288000 6 12.23133300 -0.9667871000 7 3.215101000 0.9646561000 8 1.656365000 0.4348377000 9 0.6201920000 0.2052990000E-01 10 0.2736660000 -0.2290700000E-02 S 10 1 3975.177300 -0.1223000000E-03 2 598.7570700 -0.7066000000E-03 3 66.33791900 -0.1420370000E-01 4 41.44061100 0.1258509000 5 29.60043600 -0.2620278000 6 12.23133300 0.4879756000 7 3.215101000 -0.7027392000 8 1.656365000 -0.5042457000 9 0.6201920000 0.7875763000 10 0.2736660000 0.6256002000 S 10 1 3975.177300 0.3450000000E-04 2 598.7570700 0.1990000000E-03 3 66.33791900 0.3921400000E-02 4 41.44061100 -0.3462240000E-01 5 29.60043600 0.7230510000E-01 6 12.23133300 -0.1366606000 7 3.215101000 0.2092382000 8 1.656365000 0.1579737000 9 0.6201920000 -0.3008006000 10 0.2736660000 -0.4304216000 S 1 1 0.2122300000E-01 1.000000000 S 1 1 0.5053300000E-01 1.000000000 P 8 1 218.9569300 -0.1233900000E-02 2 29.09449400 -0.7421100000E-02 3 20.58011100 -0.1504970000 4 14.66433200 0.3813200000 5 4.446100000 -0.5086050000 6 2.351023000 -0.5367219000 7 1.137688000 -0.1324987000 8 0.6072480000 0.2634000000E-03 P 8 1 218.9569300 -0.5355000000E-03 2 29.09449400 -0.1172090000E-01 3 20.58011100 -0.3572860000E-01 4 14.66433200 0.1403745000 5 4.446100000 -0.2746790000 6 2.351023000 -0.3047680000 7 1.137688000 0.4480730000E-01 8 0.6072480000 0.5179992000 P 1 1 0.1185680000 1.000000000 P 1 1 0.2839030000 1.000000000 P 1 1 0.5000000000E-01 1.000000000 D 6 1 59.45714300 0.6040800000E-02 2 11.29445300 -0.1168807000 3 8.067264000 0.2764770000 4 3.858859000 0.4609418000 5 1.974809000 0.3563380000 6 0.9975680000 0.1239238000 D 1 1 0.1488030000 1.000000000 D 1 1 0.4649810000 1.000000000 D 1 1 0.5000000000E-01 1.000000000 F 6 1 70.24087700 -0.8460300000E-02 2 26.43288800 -0.6062620000E-01 3 11.25984700 -0.1665007000 4 5.049680000 -0.2914159000 5 2.284835000 -0.3513876000 6 1.015829000 -0.3072542000 F 1 1 0.4280230000 1.000000000 F 1 1 0.1611580000 1.000000000 NEODYMIUM ! (12s,11p,9d,8f) -> [5s,5p,4d,3f] S 10 1 6051.892300 0.2765000000E-03 2 912.4648700 0.1638900000E-02 3 176.9638800 0.4703100000E-02 4 38.72712400 -0.1985919000 5 27.66223200 0.5842853000 6 13.18587800 -1.012421600 7 3.308505000 0.9901076000 8 1.682366000 0.4011777000 9 0.6450000000 0.1697660000E-01 10 0.2828220000 -0.1491900000E-02 S 10 1 6051.892300 -0.1525000000E-03 2 912.4648700 -0.9747000000E-03 3 176.9638800 -0.2228400000E-02 4 38.72712400 0.8217980000E-01 5 27.66223200 -0.2599754000 6 13.18587800 0.5092706000 7 3.308505000 -0.7351603000 8 1.682366000 -0.4634258000 9 0.6450000000 0.7970927000 10 0.2828220000 0.6151244000 S 10 1 6051.892300 0.4270000000E-04 2 912.4648700 0.2733000000E-03 3 176.9638800 0.6199000000E-03 4 38.72712400 -0.2225260000E-01 5 27.66223200 0.7081750000E-01 6 13.18587800 -0.1406682000 7 3.308505000 0.2162590000 8 1.682366000 0.1433945000 9 0.6450000000 -0.2996292000 10 0.2828220000 -0.4214948000 S 1 1 0.2168800000E-01 1.000000000 S 1 1 0.5192200000E-01 1.000000000 P 7 1 651.6898600 0.6000000000E-01 2 152.6745800 -0.3917000000E-03 3 25.72095200 -0.2143300000E-02 4 12.65250500 -0.6250620000E-01 5 9.016686000 0.4201090000 6 3.843991000 -0.2219939000 7 1.901810000 -0.6589373000 P 7 1 651.6898600 -0.4320000000E-03 2 152.6745800 -0.1679000000E-03 3 25.72095200 -0.1127500000E-02 4 12.65250500 -0.2602600000E-01 5 9.016686000 0.2001852000 6 3.843991000 -0.1332287000 7 1.901810000 -0.3519744000 P 1 1 0.1491340000 0.1880438000 P 1 1 0.3660680000 1.000000000 P 1 1 0.8270980000 1.000000000 D 5 1 60.19186100 0.8187900000E-02 2 10.49467700 -0.8279880000E-01 3 7.496168000 0.3174546000 4 3.636152000 0.4700902000 5 1.848459000 0.3160003000 D 1 1 0.1209520000 1.000000000 D 1 1 0.4161820000 1.000000000 D 1 1 0.9237120000 1.000000000 F 6 1 76.08944200 -0.8101700000E-02 2 28.47190800 -0.6082250000E-01 3 12.25261600 -0.1676429000 4 5.517494000 -0.2927553000 5 2.507467000 -0.3515757000 6 1.119513000 -0.3052362000 F 1 1 0.4734150000 1.000000000 F 1 1 0.1789630000 1.000000000 Effective Core Potential ------------------------ K-ECP GEN 10 4 1 ----- G POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-G POTENTIAL ----- 92.25263900 2 6.84380700 1 ----- P-G POTENTIAL ----- 23.49803500 2 4.21785700 1 ----- D-G POTENTIAL ----- -7.31542000 2 6.49753700 1 ----- F-G POTENTIAL ----- -3.85832000 2 6.12361300 CA-ECP GEN 10 4 1 ----- G POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-G POTENTIAL ----- 138.78517400 2 11.23167200 16.50424400 2 4.67196000 2 ----- P-G POTENTIAL ----- 83.12366400 2 11.15690700 13.50227200 2 4.81014100 2 ----- D-G POTENTIAL ----- -16.20196500 2 13.75472800 -1.13239000 2 4.76247000 1 ----- F-G POTENTIAL ----- -26.72817800 2 12.76584600 SC-ECP GEN 10 3 1 ----- F POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-F POTENTIAL ----- 138.53815200 2 11.50000000 14.83404200 2 5.18400000 2 ----- P-F POTENTIAL ----- 82.45861400 2 10.93000000 8.56520600 2 4.58100000 2 ----- D-F POTENTIAL ----- -16.12986200 2 13.47000000 -0.53469000 2 4.37500000 TI-ECP GEN 10 3 1 ----- F POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-F POTENTIAL ----- 158.24159300 2 13.01000000 17.51182400 2 5.86200000 2 ----- P-F POTENTIAL ----- 95.23512700 2 12.46000000 10.04785600 2 5.21700000 2 ----- D-F POTENTIAL ----- -17.56886100 2 15.35000000 -0.58725600 2 4.98000000 V-ECP GEN 10 3 1 ----- F POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-F POTENTIAL ----- 178.44797100 2 14.49000000 19.83137500 2 6.52400000 2 ----- P-F POTENTIAL ----- 109.52976300 2 14.30000000 12.57031000 2 6.02100000 2 ----- D-F POTENTIAL ----- -19.21965700 2 17.48000000 -0.64277500 2 5.70900000 CR-ECP GEN 10 3 1 ----- F POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-F POTENTIAL ----- 201.57888700 2 16.39000000 24.20574100 2 7.40200000 2 ----- P-F POTENTIAL ----- 125.02277400 2 16.45000000 16.47906600 2 6.96200000 2 ----- D-F POTENTIAL ----- -20.82742100 2 19.93000000 -0.83436800 2 6.59800000 MN-ECP GEN 10 3 1 ----- F POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-F POTENTIAL ----- 226.43090200 2 18.52000000 30.35907200 2 8.37300000 2 ----- P-F POTENTIAL ----- 142.15470500 2 18.92000000 21.53650900 2 8.01700000 2 ----- D-F POTENTIAL ----- -22.56811900 2 22.72000000 -1.20581000 2 7.64000000 FE-ECP GEN 10 3 1 ----- F POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-F POTENTIAL ----- 253.74958800 2 20.93000000 37.92284500 2 9.44500000 2 ----- P-F POTENTIAL ----- 161.03681200 2 21.76000000 27.65129800 2 9.17800000 2 ----- D-F POTENTIAL ----- -24.43127600 2 25.90000000 -1.43425100 2 8.83500000 CO-ECP GEN 10 3 1 ----- F POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-F POTENTIAL ----- 283.96056600 2 23.66000000 47.15684600 2 10.61000000 2 ----- P-F POTENTIAL ----- 182.21223600 2 25.04000000 35.23335200 2 10.44000000 2 ----- D-F POTENTIAL ----- -26.47533300 2 29.54000000 -1.82578700 2 10.18000000 NI-ECP GEN 10 3 1 ----- F POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-F POTENTIAL ----- 317.68227200 2 26.74000000 58.25539100 2 11.86000000 2 ----- P-F POTENTIAL ----- 252.47436600 2 28.80000000 36.08150300 2 11.79000000 2 ----- D-F POTENTIAL ----- -18.52295500 2 33.70000000 -4.55766800 2 11.66000000 CU-ECP GEN 10 3 1 ----- F POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-F POTENTIAL ----- 355.77015800 2 30.22000000 70.86535700 2 13.19000000 2 ----- P-F POTENTIAL ----- 233.89197600 2 33.13000000 53.94729900 2 13.22000000 2 ----- D-F POTENTIAL ----- -31.27216500 2 38.42000000 -2.74110400 2 13.26000000 ZN-ECP GEN 10 3 1 ----- F POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-F POTENTIAL ----- 399.98728200 2 34.15000000 85.48565500 2 14.59000000 2 ----- P-F POTENTIAL ----- 277.14896000 2 39.78000000 69.05220500 2 14.95000000 2 ----- D-F POTENTIAL ----- -34.14934900 2 43.80000000 -3.29183100 2 14.98000000 RB-ECP GEN 28 4 1 ----- G POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-G POTENTIAL ----- 89.50019822 2 5.03655181 0.49376198 2 1.97084963 2 ----- P-G POTENTIAL ----- 58.56897492 2 4.25834119 0.43179108 2 1.47070961 2 ----- D-G POTENTIAL ----- 26.22489809 2 3.02312774 0.96283950 2 0.65038346 1 ----- F-G POTENTIAL ----- -12.31690065 2 3.84311471 SR-ECP GEN 28 4 1 ----- G POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-G POTENTIAL ----- 135.47943000 2 7.40007400 17.53446300 2 3.60637900 2 ----- P-G POTENTIAL ----- 88.35970900 2 6.48486800 15.39437200 2 3.28805300 2 ----- D-G POTENTIAL ----- 29.88898700 2 4.62284100 6.65941400 2 2.24690400 1 ----- F-G POTENTIAL ----- -15.80599200 2 4.63397500 Y-ECP GEN 28 4 1 ----- G POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-G POTENTIAL ----- 135.15384400 2 7.48804900 15.55244100 2 3.74402500 2 ----- P-G POTENTIAL ----- 87.78499200 2 6.44537700 11.56406600 2 3.22268900 2 ----- D-G POTENTIAL ----- 29.70100100 2 4.65844700 5.53996800 2 2.32922400 2 ----- F-G POTENTIAL ----- -19.12219800 2 6.58421200 -2.43637500 2 3.29210600 ZR-ECP GEN 28 4 1 ----- G POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-G POTENTIAL ----- 150.26759100 2 8.20000000 18.97621600 2 4.08972800 2 ----- P-G POTENTIAL ----- 99.62212400 2 7.11000000 14.16873300 2 3.59679800 2 ----- D-G POTENTIAL ----- 35.04512400 2 5.35000000 6.11125900 2 2.49182100 2 ----- F-G POTENTIAL ----- -21.09377600 2 7.54000000 -3.08069400 2 3.77000000 NB-ECP GEN 28 4 1 ----- G POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-G POTENTIAL ----- 165.17914300 2 8.90000000 21.99297400 2 4.43000000 2 ----- P-G POTENTIAL ----- 111.79441400 2 7.77000000 16.63348300 2 3.96000000 2 ----- D-G POTENTIAL ----- 38.11224900 2 6.05000000 8.03916700 2 2.84000000 2 ----- F-G POTENTIAL ----- -22.92955000 2 8.49000000 -3.66631000 2 4.25000000 MO-ECP GEN 28 4 1 ----- G POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-G POTENTIAL ----- 180.10310800 2 9.71459400 24.99722800 2 4.68050000 2 ----- P-G POTENTIAL ----- 123.77275200 2 8.14213700 19.53022800 2 4.62598600 2 ----- D-G POTENTIAL ----- 48.37502200 2 6.61841500 8.89205300 2 3.24875200 2 ----- F-G POTENTIAL ----- -24.80517700 2 9.45000000 -4.15378200 2 4.72000000 TC-ECP GEN 28 4 1 ----- G POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-G POTENTIAL ----- 195.15916600 2 10.42234600 28.09260300 2 5.03651600 2 ----- P-G POTENTIAL ----- 135.28456600 2 8.95044900 21.80650400 2 4.85443900 2 ----- D-G POTENTIAL ----- 54.32972900 2 6.94569700 11.15506800 2 3.97058500 2 ----- F-G POTENTIAL ----- -26.56244700 2 10.40000000 -4.58568100 2 5.20000000 RU-ECP GEN 28 4 1 ----- G POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-G POTENTIAL ----- 209.82297100 2 11.10526900 30.65472600 2 5.41474500 2 ----- P-G POTENTIAL ----- 146.33618200 2 9.77127100 24.12787700 2 5.07399100 2 ----- D-G POTENTIAL ----- 67.51589700 2 7.67142300 9.87010400 2 4.13656500 2 ----- F-G POTENTIAL ----- -28.34061600 2 11.36000000 -4.94462900 2 5.68000000 RH-ECP GEN 28 4 1 ----- G POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-G POTENTIAL ----- 225.34775400 2 11.72000000 32.82318900 2 5.82000000 2 ----- P-G POTENTIAL ----- 158.70941200 2 10.42000000 26.44410000 2 5.45000000 2 ----- D-G POTENTIAL ----- 62.75862600 2 8.82000000 10.97871900 2 3.87000000 2 ----- F-G POTENTIAL ----- -30.09345600 2 12.31000000 -5.21848200 2 6.16000000 PD-ECP GEN 28 4 1 ----- G POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-G POTENTIAL ----- 240.22904000 2 12.43000000 35.17194300 2 6.17075900 2 ----- P-G POTENTIAL ----- 170.41727600 2 11.08000000 28.47213300 2 5.82955400 2 ----- D-G POTENTIAL ----- 69.01384500 2 9.51000000 11.75086200 2 4.13978100 2 ----- F-G POTENTIAL ----- -31.92955400 2 13.27000000 -5.39821700 2 6.63000000 AG-ECP GEN 28 4 1 ----- G POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-G POTENTIAL ----- 255.13936500 2 13.13000000 36.86612200 2 6.51000000 2 ----- P-G POTENTIAL ----- 182.18186900 2 11.74000000 30.35775100 2 6.20000000 2 ----- D-G POTENTIAL ----- 73.71926100 2 10.21000000 12.50211700 2 4.38000000 2 ----- F-G POTENTIAL ----- -33.68992000 2 14.22000000 -5.53112000 2 7.11000000 CD-ECP GEN 28 4 1 ----- G POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-G POTENTIAL ----- 270.00948300 2 13.83586900 38.76730800 2 6.85727000 2 ----- P-G POTENTIAL ----- 193.82962900 2 12.40497100 31.89652500 2 6.56779900 2 ----- D-G POTENTIAL ----- 79.19364700 2 10.89692500 13.23082700 2 4.64116500 2 ----- F-G POTENTIAL ----- -35.47662600 2 15.18479600 -5.61767700 2 7.59239800 CS-ECP GEN 46 4 1 ----- G POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-G POTENTIAL ----- 84.54773062 2 4.07975066 16.65417395 2 2.41740635 2 ----- P-G POTENTIAL ----- 157.04905939 2 5.51408016 26.42330704 2 2.16031682 2 ----- D-G POTENTIAL ----- 13.17275381 2 1.80741000 3.34283398 2 0.85818223 1 ----- F-G POTENTIAL ----- -28.88430917 2 3.12326906 BA-ECP GEN 46 4 1 ----- G POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-G POTENTIAL ----- 427.84581600 2 9.52698600 204.41753000 2 4.48751000 2 ----- P-G POTENTIAL ----- 293.60586400 2 8.31593000 294.19331600 2 4.29221700 2 ----- D-G POTENTIAL ----- 112.55040200 2 5.91610800 181.78262100 2 2.87484200 1 ----- F-G POTENTIAL ----- -33.47317400 2 3.58946500 CE-ECP GEN 28 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-H POTENTIAL ----- 580.08345700 2 20.13782900 1 ----- P-H POTENTIAL ----- 310.30283300 2 15.99848200 1 ----- D-H POTENTIAL ----- 167.81394400 2 14.97418700 1 ----- F-H POTENTIAL ----- -49.39022900 2 23.40245500 1 ----- G-H POTENTIAL ----- -21.33187900 2 16.57055300 PR-ECP GEN 28 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-H POTENTIAL ----- 577.57312200 2 20.76627800 1 ----- P-H POTENTIAL ----- 295.78584600 2 16.07844800 1 ----- D-H POTENTIAL ----- 150.86705500 2 14.70508900 1 ----- F-H POTENTIAL ----- -48.73676600 2 23.37896900 1 ----- G-H POTENTIAL ----- -22.32948800 2 17.44713800 ND-ECP GEN 28 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-H POTENTIAL ----- 574.37098000 2 21.35226700 1 ----- P-H POTENTIAL ----- 280.94644000 2 16.11926500 1 ----- D-H POTENTIAL ----- 138.67062700 2 14.49410300 1 ----- F-H POTENTIAL ----- -47.52266800 2 23.18386000 1 ----- G-H POTENTIAL ----- -23.34458700 2 18.34417400 PROMETHEUM ! (12s,11p,9d,8f) -> [5s,5p,4d,3f] S 10 1 8586.589800 0.3653000000E-03 2 1295.263800 0.2339100000E-02 3 281.7410800 0.6329900000E-02 4 37.00229400 -0.1824168000 5 26.43021000 0.6670946000 6 14.27856900 -1.094116400 7 3.380498000 1.021613900 8 1.681923000 0.3613406000 9 0.6727530000 0.1244730000E-01 10 0.2923440000 -0.4751000000E-03 S 10 1 8586.589800 -0.2294000000E-03 2 1295.263800 -0.1514400000E-02 3 281.7410800 -0.3865900000E-02 4 37.00229400 0.7105050000E-01 5 26.43021000 -0.2931138000 6 14.27856900 0.5429951000 7 3.380498000 -0.7684681000 8 1.681923000 -0.4251074000 9 0.6727530000 0.8049099000 10 0.2923440000 0.6115364000 S 10 1 8586.589800 0.6440000000E-04 2 1295.263800 0.4253000000E-03 3 281.7410800 0.1086300000E-02 4 37.00229400 -0.1880770000E-01 5 26.43021000 0.7859970000E-01 6 14.27856900 -0.1476756000 7 3.380498000 0.2231563000 8 1.681923000 0.1297338000 9 0.6727530000 -0.2958889000 10 0.2923440000 -0.4161195000 S 1 1 0.2205400000E-01 1.000000000 S 1 1 0.5298900000E-01 1.000000000 P 8 1 655.3480300 -0.5030000000E-03 2 153.4495700 -0.2729500000E-02 3 27.88941900 -0.5477430000E-01 4 12.94768300 0.4123653000 5 9.199191000 -0.2378916000 6 3.986742000 -0.6575713000 7 1.975666000 -0.3888430000 8 0.8631830000 -0.4315130000E-01 P 8 1 655.3480300 -0.2200000000E-03 2 153.4495700 -0.1430500000E-02 3 27.88941900 -0.2274630000E-01 4 12.94768300 0.1973377000 5 9.199191000 -0.1429363000 6 3.986742000 -0.3506687000 7 1.975666000 -0.2082032000 8 0.8631830000 0.4064716000 P 1 1 0.1549510000 1.000000000 P 1 1 0.3808010000 1.000000000 P 1 1 0.6000000000E-01 1.000000000 D 6 1 163.3270800 0.1955000000E-02 2 46.65422700 0.1342640000E-01 3 6.714323000 0.3183174000 4 3.436572000 0.4520406000 5 1.766912000 0.2770522000 6 0.8864880000 0.7435590000E-01 D 1 1 0.1170080000 1.000000000 D 1 1 0.3951760000 1.000000000 D 1 1 0.3000000000E-01 1.000000000 F 6 1 82.72859300 -0.7882600000E-02 2 30.91060500 -0.6063740000E-01 3 13.37425000 -0.1672471000 4 6.031960000 -0.2927056000 5 2.745880000 -0.3517706000 6 1.226888000 -0.3050550000 F 1 1 0.1955010000 1.000000000 F 1 1 0.5183390000 1.000000000 SAMARIUM ! (12s,11p,9d,8f) -> [5s,5p,4d,3f] S 10 1 8882.952600 0.1194100000E-02 2 1344.079600 0.7914200000E-02 3 299.6712900 0.1906510000E-01 4 21.07471200 0.8266645000 5 15.05336600 -1.457886700 6 4.283367000 0.6156389000 7 2.380595000 0.7629190000 8 0.6149400000 0.1273355000 9 0.4392040000 -0.1018023000 10 0.2640890000 0.2472800000E-01 S 10 1 8882.952600 0.1141300000E-02 2 1344.079600 0.7132600000E-02 3 299.6712900 0.1958690000E-01 4 21.07471200 0.4296868000 5 15.05336600 -0.7723147000 6 4.283367000 0.4717097000 7 2.380595000 0.6527172000 8 0.6149400000 -0.7520651000 9 0.4392040000 -0.1519704000 10 0.2640890000 -0.4188216000 S 10 1 8882.952600 0.3483000000E-03 2 1344.079600 0.2163700000E-02 3 299.6712900 0.6021500000E-02 4 21.07471200 0.1169114000 5 15.05336600 -0.2098466000 6 4.283367000 0.1356250000 7 2.380595000 0.1889042000 8 0.6149400000 -0.2761931000 9 0.4392040000 -0.8938540000E-01 10 0.2640890000 -0.3161973000 S 1 1 0.2265900000E-01 1.000000000 S 1 1 0.5527500000E-01 1.000000000 P 8 1 680.8491800 0.6797000000E-03 2 157.5711900 0.4003000000E-02 3 30.68757100 0.4231660000E-01 4 21.75791500 0.4180840000E-01 5 15.42526000 -0.2777516000 6 4.927760000 0.5807581000 7 2.396580000 0.5246979000 8 0.9476050000 0.7109930000E-01 P 8 1 680.8491800 -0.3357000000E-03 2 157.5711900 -0.1871300000E-02 3 30.68757100 -0.2925590000E-01 4 21.75791500 0.1823940000E-01 5 15.42526000 0.8810870000E-01 6 4.927760000 -0.3207358000 7 2.396580000 -0.2740270000 8 0.9476050000 0.3408283000 P 1 1 0.1723440000 1.000000000 P 1 1 0.4254040000 1.000000000 P 1 1 0.7000000000E-01 1.000000000 D 6 1 329.8599000 0.6247000000E-03 2 99.59045700 0.4812400000E-02 3 37.61771800 0.1924040000E-01 4 7.933572000 0.2156105000 5 4.475529000 0.3920499000 6 2.431973000 0.3520307000 D 1 1 0.5617520000 1.000000000 D 1 1 1.247813000 1.000000000 D 1 1 0.2500000000 1.000000000 F 6 1 109.5248200 -0.4444800000E-02 2 40.05314700 -0.4139990000E-01 3 17.83656600 -0.1328491000 4 8.109810000 -0.2595344000 5 3.705554000 -0.3486044000 6 1.647552000 -0.3350731000 F 1 1 0.2503400000 1.000000000 F 1 1 0.6844740000 1.000000000 EUROPIUM ! (12s,11p,9d,8f) -> [5s,5p,4d,3f] S 10 1 9690.553100 0.1081200000E-02 2 1465.971700 0.7195600000E-02 3 326.3855400 0.1784840000E-01 4 22.11032800 0.8154931000 5 15.73213800 -1.447634900 6 4.400518000 0.6548957000 7 2.444963000 0.7249839000 8 0.6637980000 0.1141644000 9 0.4741410000 -0.8285900000E-01 10 0.2688590000 0.1746200000E-01 S 10 1 9690.553100 0.9699000000E-03 2 1465.971700 0.6078900000E-02 3 326.3855400 0.1716890000E-01 4 22.11032800 0.4177288000 5 15.73213800 -0.7582004000 6 4.400518000 0.4935072000 7 2.444963000 0.6271692000 8 0.6637980000 -0.6404911000 9 0.4741410000 -0.2865687000 10 0.2688590000 -0.3980377000 S 10 1 9690.553100 0.2873000000E-03 2 1465.971700 0.1789700000E-02 3 326.3855400 0.5121500000E-02 4 22.11032800 0.1118485000 5 15.73213800 -0.2029848000 6 4.400518000 0.1393967000 7 2.444963000 0.1798886000 8 0.6637980000 -0.2259135000 9 0.4741410000 -0.1438323000 10 0.2688590000 -0.3052248000 S 1 1 0.2306300000E-01 1.000000000 S 1 1 0.5651900000E-01 1.000000000 P 8 1 653.1930500 0.1031600000E-02 2 151.6226400 0.5842900000E-02 3 30.80411400 0.5854310000E-01 4 21.84269400 -0.5148000000E-03 5 15.50725500 -0.2380455000 6 5.112580000 0.5830325000 7 2.479229000 0.5187553000 8 0.9810020000 0.6984970000E-01 P 8 1 653.1930500 -0.5147000000E-03 2 151.6226400 -0.2824600000E-02 3 30.80411400 -0.3757490000E-01 4 21.84269400 0.4033310000E-01 5 15.50725500 0.6652440000E-01 6 5.112580000 -0.3237414000 7 2.479229000 -0.2645098000 8 0.9810020000 0.3451163000 P 1 1 0.1771100000 1.000000000 P 1 1 0.4380940000 1.000000000 P 1 1 0.7000000000E-01 1.000000000 D 6 1 322.2856600 0.7906000000E-03 2 97.32874400 0.5967100000E-02 3 37.02988300 0.2243880000E-01 4 8.851067000 0.1743289000 5 5.073046000 0.3838155000 6 2.721014000 0.3783027000 D 1 1 0.6148500000 1.000000000 D 1 1 1.377231000 1.000000000 D 1 1 0.2700000000 1.000000000 F 6 1 117.0515600 -0.4272800000E-02 2 42.58914800 -0.4042560000E-01 3 19.04633600 -0.1336611000 4 8.687163000 -0.2603962000 5 3.979255000 -0.3489861000 6 1.772835000 -0.3342335000 F 1 1 0.2701950000 1.000000000 F 1 1 0.7377760000 1.000000000 GADOLINIUM ! (12s,11p,9d,8f) -> [5s,5p,4d,3f] S 10 1 9364.701500 0.1521600000E-02 2 1417.127800 0.1004590000E-01 3 315.7711800 0.2273190000E-01 4 25.84543900 0.4459525000 5 14.69402700 -1.184560400 6 6.693366000 0.4129552000 7 2.956953000 1.055604800 8 0.6770020000 0.1825692000 9 0.4800410000 -0.1440580000 10 0.2575570000 0.3167570000E-01 S 10 1 9364.701500 0.1839800000E-02 2 1417.127800 0.1146590000E-01 3 315.7711800 0.2971300000E-01 4 25.84543900 0.2468921000 5 14.69402700 -0.6641543000 6 6.693366000 0.3163824000 7 2.956953000 0.8545795000 8 0.6770020000 -0.5681548000 9 0.4800410000 -0.4166728000 10 0.2575570000 -0.3109374000 S 10 1 9364.701500 0.5977000000E-03 2 1417.127800 0.3703200000E-02 3 315.7711800 0.9728600000E-02 4 25.84543900 0.6841620000E-01 5 14.69402700 -0.1818592000 6 6.693366000 0.9184030000E-01 7 2.956953000 0.2413432000 8 0.6770020000 -0.1977461000 9 0.4800410000 -0.2165199000 10 0.2575570000 -0.2527844000 S 1 1 0.2419300000E-01 1.000000000 S 1 1 0.6001800000E-01 1.000000000 P 8 1 954.5526400 0.7246000000E-03 2 227.3701200 0.4573500000E-02 3 74.51065600 0.8933400000E-02 4 25.52549100 0.1052913000 5 16.97094600 -0.2759738000 6 5.278685000 0.5691774000 7 2.566350000 0.5259255000 8 0.9744450000 0.7055440000E-01 P 8 1 954.5526400 -0.3846000000E-03 2 227.3701200 -0.2064600000E-02 3 74.51065600 -0.5908300000E-02 4 25.52549100 -0.3325880000E-01 5 16.97094600 0.1035061000 6 5.278685000 -0.3291645000 7 2.566350000 -0.2492531000 8 0.9744450000 0.3570243000 P 1 1 0.1789240000 1.000000000 P 1 1 0.4412310000 1.000000000 P 1 1 0.7000000000E-01 1.000000000 D 6 1 330.8921200 0.1004600000E-02 2 99.72180500 0.7701700000E-02 3 37.52817600 0.2963980000E-01 4 12.43045600 0.7235460000E-01 5 6.582241000 0.3633933000 6 3.372504000 0.4348542000 D 1 1 0.7301640000 1.000000000 D 1 1 1.661687000 1.000000000 D 1 1 0.3200000000 1.000000000 F 6 1 122.4074100 -0.4447500000E-02 2 44.48477800 -0.4203300000E-01 3 19.92903700 -0.1387830000 4 9.087525000 -0.2649617000 5 4.154800000 -0.3494064000 6 1.844537000 -0.3305594000 F 1 1 0.2771450000 1.000000000 F 1 1 0.7634050000 1.000000000 TERBIUM ! (12s,11p,9d,8f) -> [5s,5p,4d,3f] S 10 1 9271.402700 0.1679900000E-02 2 1402.740400 0.1100450000E-01 3 311.7458000 0.2346640000E-01 4 24.76241800 0.5270259000 5 14.12468100 -1.711403700 6 10.08905800 0.7347965000 7 3.131994000 1.167122800 8 0.6473260000 0.2352475000 9 0.4595810000 -0.2019859000 10 0.2491710000 0.4850100000E-01 S 10 1 9271.402700 0.2475500000E-02 2 1402.740400 0.1535600000E-01 3 311.7458000 0.3747990000E-01 4 24.76241800 0.3089429000 5 14.12468100 -1.036514900 6 10.08905800 0.5380240000 7 3.131994000 0.9207996000 8 0.6473260000 -0.5848847000 9 0.4595810000 -0.4112257000 10 0.2491710000 -0.2786836000 S 10 1 9271.402700 0.8476000000E-03 2 1402.740400 0.5229300000E-02 3 311.7458000 0.1293460000E-01 4 24.76241800 0.8623840000E-01 5 14.12468100 -0.2867984000 6 10.08905800 0.1564829000 7 3.131994000 0.2497863000 8 0.6473260000 -0.1941264000 9 0.4595810000 -0.2073088000 10 0.2491710000 -0.2496974000 S 1 1 0.2399800000E-01 1.000000000 S 1 1 0.5905300000E-01 1.000000000 P 8 1 1103.233100 0.7141000000E-03 2 263.3474900 0.4647600000E-02 3 85.85010900 0.1056750000E-01 4 26.12167300 0.1336610000 5 18.49787100 -0.2919572000 6 5.559286000 0.5683970000 7 2.707669000 0.5208610000 8 1.022947000 0.6966490000E-01 P 8 1 1103.233100 -0.3839000000E-03 2 263.3474900 -0.2141600000E-02 3 85.85010900 -0.6630600000E-02 4 26.12167300 -0.4393650000E-01 5 18.49787100 0.1082208000 6 5.559286000 -0.3339195000 7 2.707669000 -0.2379723000 8 1.022947000 0.3606587000 P 1 1 0.1900360000 1.000000000 P 1 1 0.4645120000 1.000000000 P 1 1 0.8000000000E-01 1.000000000 D 6 1 385.3846800 0.9705000000E-03 2 116.3951800 0.7754100000E-02 3 44.16086300 0.3117190000E-01 4 18.66176200 0.5340890000E-01 5 7.719130000 0.3219532000 6 3.875773000 0.4565151000 D 1 1 0.8142170000 1.000000000 D 1 1 1.877387000 1.000000000 D 1 1 0.3500000000 1.000000000 F 6 1 129.3887100 -0.4499000000E-02 2 46.93680600 -0.4274100000E-01 3 21.07838400 -0.1423593000 4 9.617497000 -0.2677751000 5 4.392739000 -0.3495197000 6 1.945525000 -0.3280059000 F 1 1 0.2894160000 1.000000000 F 1 1 0.8017250000 1.000000000 DYSPROSIUM ! (12s,11p,9d,8f) -> [5s,5p,4d,3f] S 10 1 25734.63200 0.5629000000E-03 2 3883.472300 0.3836000000E-02 3 886.6752800 0.1568820000E-01 4 246.9526600 0.1941260000E-01 5 24.50570200 0.8405154000 6 17.50407300 -1.484831400 7 5.111287000 0.6290159000 8 2.704926000 0.7748320000 9 0.7076680000 0.4561860000E-01 10 0.3184350000 -0.1221630000E-01 S 10 1 25734.63200 0.1035200000E-02 2 3883.472300 0.7490300000E-02 3 886.6752800 0.2775420000E-01 4 246.9526600 0.4443750000E-01 5 24.50570200 0.4556909000 6 17.50407300 -0.7985737000 7 5.111287000 0.4916913000 8 2.704926000 0.6277338000 9 0.7076680000 -0.8015329000 10 0.3184350000 -0.5133524000 S 10 1 25734.63200 0.4095000000E-03 2 3883.472300 0.2979600000E-02 3 886.6752800 0.1093880000E-01 4 246.9526600 0.1792550000E-01 5 24.50570200 0.1267795000 6 17.50407300 -0.2161124000 7 5.111287000 0.1423054000 8 2.704926000 0.1663949000 9 0.7076680000 -0.2831807000 10 0.3184350000 -0.3597354000 S 1 1 0.2418000000E-01 1.000000000 S 1 1 0.5919800000E-01 1.000000000 P 8 1 1186.875000 0.9396000000E-03 2 282.2865100 0.6266700000E-02 3 90.05923700 0.1606550000E-01 4 26.42619400 0.1406696000 5 18.87585300 -0.2792975000 6 5.745887000 0.5534647000 7 2.800879000 0.5255952000 8 1.052019000 0.7254040000E-01 P 8 1 1186.875000 -0.5168000000E-03 2 282.2865100 -0.3084900000E-02 3 90.05923700 -0.9781700000E-02 4 26.42619400 -0.4743730000E-01 5 18.87585300 0.1017002000 6 5.745887000 -0.3343985000 7 2.800879000 -0.2304609000 8 1.052019000 0.3593389000 P 1 1 0.1942180000 1.000000000 P 1 1 0.4773290000 1.000000000 P 1 1 0.8000000000E-01 1.000000000 D 6 1 447.9219400 0.8644000000E-03 2 135.3896600 0.7120700000E-02 3 51.83891000 0.2943850000E-01 4 22.47598900 0.5956500000E-01 5 8.569403000 0.2898370000 6 4.291744000 0.4609141000 D 1 1 0.8881410000 1.000000000 D 1 1 2.064277000 1.000000000 D 1 1 0.3800000000 1.000000000 F 6 1 135.8452400 -0.4579300000E-02 2 49.24803000 -0.4350960000E-01 3 22.12888100 -0.1449676000 4 10.09041000 -0.2700443000 5 4.600739000 -0.3498123000 6 2.031306000 -0.3263018000 F 1 1 0.2981470000 1.000000000 F 1 1 0.8329300000 1.000000000 HOLMIUM ! (12s,11p,9d,8f) -> [5s,5p,4d,3f] S 10 1 3496.294100 0.2812500000E-02 2 522.9699500 0.1215050000E-01 3 40.16074700 -0.1440516000 4 28.65574700 1.052232500 5 19.90806300 -1.503681500 6 4.317677000 1.042631700 7 2.001201000 0.3678850000 8 1.428384000 -0.3202180000E-01 9 0.6066260000 0.9493400000E-02 10 0.2891630000 -0.1511200000E-02 S 10 1 3496.294100 0.2115100000E-02 2 522.9699500 0.9288600000E-02 3 40.16074700 -0.2712230000E-01 4 28.65574700 0.4147136000 5 19.90806300 -0.6886076000 6 4.317677000 0.7444707000 7 2.001201000 0.6662052000 8 1.428384000 -0.5314234000 9 0.6066260000 -0.7970508000 10 0.2891630000 -0.3372802000 S 10 1 3496.294100 0.5696000000E-03 2 522.9699500 0.2509800000E-02 3 40.16074700 -0.5472000000E-02 4 28.65574700 0.1018468000 5 19.90806300 -0.1728132000 6 4.317677000 0.1995402000 7 2.001201000 0.1893411000 8 1.428384000 -0.1541791000 9 0.6066260000 -0.3173322000 10 0.2891630000 -0.2764765000 S 1 1 0.2509300000E-01 1.000000000 S 1 1 0.6289900000E-01 1.000000000 P 8 1 1646.663700 0.7082000000E-03 2 393.4933500 0.5074200000E-02 3 127.6080000 0.1567570000E-01 4 40.55744300 0.4820810000E-01 5 15.63587900 -0.1994012000 6 6.476814000 0.5038916000 7 3.102213000 0.5829971000 8 1.182889000 0.9296930000E-01 P 8 1 1646.663700 -0.4021000000E-03 2 393.4933500 -0.2557900000E-02 3 127.6080000 -0.9459200000E-02 4 40.55744300 -0.2015730000E-01 5 15.63587900 0.8069160000E-01 6 6.476814000 -0.3089520000 7 3.102213000 -0.2714917000 8 1.182889000 0.2959541000 P 1 1 0.2130480000 1.000000000 P 1 1 0.5346430000 1.000000000 P 1 1 0.8000000000E-01 1.000000000 D 6 1 466.4836800 0.1004200000E-02 2 141.1103700 0.8302600000E-02 3 54.18568900 0.3435510000E-01 4 23.27407500 0.7540330000E-01 5 8.952588000 0.2822907000 6 4.455792000 0.4582232000 D 1 1 0.9140790000 1.000000000 D 1 1 2.133197000 1.000000000 D 1 1 0.3900000000 1.000000000 F 6 1 141.7361600 -0.4661200000E-02 2 51.32708800 -0.4418030000E-01 3 23.06260700 -0.1476235000 4 10.51565200 -0.2725590000 5 4.789308000 -0.3502228000 6 2.109621000 -0.3243047000 F 1 1 0.3062070000 1.000000000 F 1 1 0.8614990000 1.000000000 ERBIUM ! (12s,10p,8d,8f) -> [5s,5p,4d,3f] S 10 1 3681.232716 0.2310500000E-02 2 550.1113560 0.1001210000E-01 3 46.13558900 -0.1147891000 4 30.75706000 0.9020113000 5 20.50470600 -1.384367500 6 4.512036000 1.029242900 7 2.200277000 0.3458831000 8 0.8958560000 0.1150410000E-01 9 0.3801430000 -0.2652000000E-03 10 0.6647900000E-01 0.5771000000E-03 S 10 1 3681.232716 0.1620500000E-02 2 550.1113560 0.7079200000E-02 3 46.13558900 -0.3231170000E-01 4 30.75706000 0.3810697000 5 20.50470600 -0.6535510000 6 4.512036000 0.7547266000 7 2.200277000 0.3999907000 8 0.8958560000 -0.7624953000 9 0.3801430000 -0.6340631000 10 0.6647900000E-01 -0.4947690000E-01 S 10 1 3681.232716 0.4240000000E-03 2 550.1113560 0.1858400000E-02 3 46.13558900 -0.7554400000E-02 4 30.75706000 0.9398200000E-01 5 20.50470600 -0.1630598000 6 4.512036000 0.2007186000 7 2.200277000 0.1089537000 8 0.8958560000 -0.2388951000 9 0.3801430000 -0.4007524000 10 0.6647900000E-01 0.4034886000 S 1 1 0.2166200000E-01 1.000000000 S 1 1 0.4431900000E-01 1.000000000 P 7 1 1817.302389 0.6906000000E-03 2 433.8723000 0.5016500000E-02 3 140.1999780 0.1616260000E-01 4 44.82172700 0.4632750000E-01 5 15.70387400 -0.2032972000 6 6.950663000 0.4950100000 7 3.297584000 0.5957159000 P 7 1 1817.302389 -0.3937000000E-03 2 433.8723000 -0.2557400000E-02 3 140.1999780 -0.9709200000E-02 4 44.82172700 -0.2024220000E-01 5 15.70387400 0.8333180000E-01 6 6.950663000 -0.3034462000 7 3.297584000 -0.2809445000 P 1 1 0.2247700000 1.000000000 P 1 1 0.5684650000 1.000000000 P 1 1 1.268282000 1.000000000 D 5 1 470.6362190 0.1321900000E-02 2 142.5459810 0.1090110000E-01 3 54.90228100 0.4473080000E-01 4 23.39421900 0.1019561000 5 9.228583000 0.2774933000 D 1 1 0.9185010000 1.000000000 D 1 1 2.153408000 1.000000000 D 1 1 4.529237000 1.000000000 F 6 1 150.2892920 -0.4115800000E-02 2 53.84771700 -0.3955070000E-01 3 24.14082800 -0.1464794000 4 11.10882800 -0.2728879000 5 5.066390000 -0.3504831000 6 2.228118000 -0.3247201000 F 1 1 0.3192160000 1.000000000 F 1 1 0.9057710000 1.000000000 THULIUM ! (12s,10p,8d,8f) -> [5s,5p,4d,3f] S 10 1 3848.735251 0.2031500000E-02 2 574.6994450 0.8793400000E-02 3 49.29290000 -0.1230690000 4 32.86023600 0.8426345000 5 21.15402000 -1.317945300 6 4.691331000 1.027853200 7 2.285010000 0.3473134000 8 0.9210040000 0.1161210000E-01 9 0.3898770000 -0.3350000000E-03 10 0.6778400000E-01 0.6042000000E-03 S 10 1 3848.735251 0.1365300000E-02 2 574.6994450 0.5924200000E-02 3 49.29290000 -0.3972930000E-01 4 32.86023600 0.3604928000 5 21.15402000 -0.6258697000 6 4.691331000 0.7513194000 7 2.285010000 0.3954427000 8 0.9210040000 -0.7617156000 9 0.3898770000 -0.6295467000 10 0.6778400000E-01 -0.4904860000E-01 S 10 1 3848.735251 0.3507000000E-03 2 574.6994450 0.1526500000E-02 3 49.29290000 -0.9453700000E-02 4 32.86023600 0.8826190000E-01 5 21.15402000 -0.1547647000 6 4.691331000 0.1975294000 7 2.285010000 0.1066679000 8 0.9210040000 -0.2356696000 9 0.3898770000 -0.3958454000 10 0.6778400000E-01 0.3986029000 S 1 1 0.2199000000E-01 1.000000000 S 1 1 0.4518900000E-01 1.000000000 P 7 1 2080.792715 0.7364000000E-03 2 494.9666950 0.5499100000E-02 3 158.3405590 0.1930200000E-01 4 51.63675100 0.4784290000E-01 5 13.89725100 -0.2603774000 6 7.992331000 0.5031765000 7 3.590220000 0.6346706000 P 7 1 2080.792715 -0.4310000000E-03 2 494.9666950 -0.2971400000E-02 3 158.3405590 -0.1169240000E-01 4 51.63675100 -0.2370170000E-01 5 13.89725100 0.1117222000 6 7.992331000 -0.3033181000 7 3.590220000 -0.3165912000 P 1 1 0.2410010000 1.000000000 P 1 1 0.6222010000 1.000000000 P 1 1 1.431515000 1.000000000 D 5 1 494.2981670 0.1378300000E-02 2 149.7259710 0.1139300000E-01 3 57.69562500 0.4687960000E-01 4 24.54232200 0.1080325000 5 9.720323000 0.2714151000 D 1 1 0.9541940000 1.000000000 D 1 1 2.245469000 1.000000000 D 1 1 4.741045000 1.000000000 F 6 1 156.7515130 -0.4354800000E-02 2 56.29037900 -0.4170030000E-01 3 25.27753200 -0.1500851000 4 11.59982300 -0.2754062000 5 5.280676000 -0.3505431000 6 2.317257000 -0.3224274000 F 1 1 0.3292520000 1.000000000 F 1 1 0.9390280000 1.000000000 YTTERBIUM ! (12s,10p,8d,8f) -> [5s,5p,4d,3f] S 10 1 3904.920900 0.1826700000E-02 2 581.4207000 0.7822600000E-02 3 60.20580100 -0.7181470000E-01 4 35.41517700 0.6111663000 5 20.83245700 -1.156073600 6 5.062338000 0.9634173000 7 2.566882000 0.4212674000 8 0.9305220000 0.2104750000E-01 9 0.3950970000 -0.2599900000E-02 10 0.6397600000E-01 0.1601500000E-02 S 10 1 3904.920900 0.1189600000E-02 2 581.4207000 0.5020600000E-02 3 60.20580100 -0.2437740000E-01 4 35.41517700 0.2670157000 5 20.83245700 -0.5573827000 6 5.062338000 0.6884317000 7 2.566882000 0.4423966000 8 0.9305220000 -0.7497303000 9 0.3950970000 -0.6211232000 10 0.6397600000E-01 -0.3875830000E-01 S 10 1 3904.920900 0.2980000000E-03 2 581.4207000 0.1260300000E-02 3 60.20580100 -0.5730300000E-02 4 35.41517700 0.6422050000E-01 5 20.83245700 -0.1353270000 6 5.062338000 0.1767051000 7 2.566882000 0.1166437000 8 0.9305220000 -0.2262156000 9 0.3950970000 -0.3892739000 10 0.6397600000E-01 0.5621010000 S 1 1 0.2134800000E-01 1.000000000 S 1 1 0.3763300000E-01 1.000000000 P 7 1 2181.701900 0.8167000000E-03 2 518.8123000 0.6105600000E-02 3 165.8531600 0.2159280000E-01 4 54.60924100 0.5124970000E-01 5 14.06235800 -0.2651420000 6 8.374462000 0.5179153000 7 3.734616000 0.6290642000 P 7 1 2181.701900 -0.4861000000E-03 2 518.8123000 -0.3390500000E-02 3 165.8531600 -0.1326520000E-01 4 54.60924100 -0.2638580000E-01 5 14.06235800 0.1128065000 6 8.374462000 -0.3134685000 7 3.734616000 -0.3107733000 P 1 1 0.2500910000 1.000000000 P 1 1 0.6449070000 1.000000000 P 1 1 1.492089000 1.000000000 D 5 1 411.8827200 0.2609000000E-02 2 125.0636600 0.2030040000E-01 3 48.17324000 0.7517500000E-01 4 20.31838600 0.1505321000 5 8.258312000 0.3355484000 D 1 1 0.8036420000 1.000000000 D 1 1 1.885996000 1.000000000 D 1 1 3.992774000 1.000000000 F 6 1 177.1395600 -0.3325300000E-02 2 62.96676500 -0.3295960000E-01 3 28.01554600 -0.1369792000 4 12.99254900 -0.2673437000 5 5.912991000 -0.3509445000 6 2.584096000 -0.3312719000 F 1 1 0.3590210000 1.000000000 F 1 1 1.038764000 1.000000000 HAFNIUM ! (8s,7p,6d)->[6s,5p,3d] S 3 1 14.59248500 -0.7993444000 2 11.54749100 1.520154800 3 4.911194000 -1.645364000 S 1 1 0.8085180000 1.000000000 S 1 1 0.3502850000 1.000000000 S 1 1 0.1012820000 1.000000000 S 1 1 0.3933600000E-01 1.000000000 S 1 1 0.1000000000E-01 1.000000000 P 2 1 6.726531000 3.266254900 2 5.959979000 -4.201562800 P 2 1 1.301958000 0.3248424000 2 0.6931360000 0.7010145000 P 1 1 0.2797590000 1.000000000 P 1 1 0.7769500000E-01 1.000000000 P 1 1 0.2695200000E-01 1.000000000 D 4 1 3.721641000 -0.5916200000E-01 2 1.584120000 0.1495139000 3 0.6335100000 0.4373137000 4 0.2305640000 0.5887587000 D 1 1 0.7495100000E-01 1.000000000 D 1 1 0.2500000000E-01 1.000000000 TANTALUM ! (8s7p6d)->[6s5p3d] S 3 1 13.95110500 -1.492908500 2 12.01024100 2.282014600 3 5.166446000 -1.713340500 S 1 1 0.8563150000 1.000000000 S 1 1 0.3642810000 1.000000000 S 1 1 0.1254940000 1.000000000 S 1 1 0.4621300000E-01 1.000000000 S 1 1 0.1500000000E-01 1.000000000 P 2 1 7.418872000 1.266809900 2 5.698410000 -2.204961500 P 2 1 1.318072000 0.3927202000 2 0.6821690000 0.6380526000 P 1 1 0.2821720000 1.000000000 P 1 1 0.7968500000E-01 1.000000000 P 1 1 0.2677000000E-01 1.000000000 D 4 1 3.791671000 -0.6689760000E-01 2 1.649302000 0.1669000000 3 0.6649250000 0.4642789000 4 0.2466550000 0.5488671000 D 1 1 0.8272400000E-01 1.000000000 D 1 1 0.2500000000E-01 1.000000000 WOLFFRAM ! (8s7p6d)->[6s5p3d] S 3 1 14.29072900 -1.408609900 2 12.24124900 2.193647000 3 5.312240000 -1.710801300 S 1 1 0.9496260000 1.000000000 S 1 1 0.4311180000 1.000000000 S 1 1 0.1269310000 1.000000000 S 1 1 0.4653900000E-01 1.000000000 S 1 1 0.1500000000E-01 1.000000000 P 2 1 7.249657000 2.061013800 2 6.084876000 -3.000247100 P 2 1 1.694089000 0.2133964000 2 0.8911440000 0.8069039000 P 1 1 0.3483280000 1.000000000 P 1 1 0.8467000000E-01 1.000000000 P 1 1 0.2702800000E-01 1.000000000 D 4 1 3.442248000 -0.1932562000 2 2.667151000 0.2079329000 3 0.9471090000 0.4423852000 4 0.3653840000 0.6159882000 D 1 1 0.1209030000 1.000000000 D 1 1 0.4000000000E-01 1.000000000 RHENIUM ! (8s7p6d)->[6s5p3d] S 3 1 14.78186200 -1.141038200 2 12.32407500 1.937145000 3 5.497478000 -1.723274500 S 1 1 1.026052000 1.000000000 S 1 1 0.4690090000 1.000000000 S 1 1 0.1311840000 1.000000000 S 1 1 0.4785700000E-01 1.000000000 S 1 1 0.1500000000E-01 1.000000000 P 2 1 7.404005000 2.369836000 2 6.350206000 -3.310554200 P 2 1 1.888599000 0.1821961000 2 0.9834850000 0.8363077000 P 1 1 0.3834100000 1.000000000 P 1 1 0.7046000000E-01 1.000000000 P 1 1 0.2202800000E-01 1.000000000 D 4 1 3.434482000 -0.3626707000 2 2.980781000 0.3761696000 3 1.017394000 0.4578332000 4 0.3950600000 0.5995702000 D 1 1 0.1301110000 1.000000000 D 1 1 0.4000000000E-01 1.000000000 OSMIUM ! (8s7p6d)->[6s5p3d] S 3 1 15.28673600 -1.066414700 2 12.70063800 1.843076100 3 5.687295000 -1.705900200 S 1 1 1.118087000 1.000000000 S 1 1 0.5207330000 1.000000000 S 1 1 0.1363780000 1.000000000 S 1 1 0.4959200000E-01 1.000000000 S 1 1 0.1500000000E-01 1.000000000 P 2 1 7.936279000 1.419045200 2 6.303641000 -2.362449500 P 2 1 1.970323000 0.2064020000 2 1.020547000 0.8142959000 P 1 1 0.4005930000 1.000000000 P 1 1 0.8712700000E-01 1.000000000 P 1 1 0.2665700000E-01 1.000000000 D 4 1 3.580815000 -0.4670808000 2 3.196165000 0.4794806000 3 1.105825000 0.4649147000 4 0.4360320000 0.5893576000 D 1 1 0.1443320000 1.000000000 D 1 1 0.5000000000E-01 1.000000000 IRIDIUM ! (8s7p6d)->[6s5p3d] S 3 1 15.29370900 -1.675033900 2 13.57368200 2.393464800 3 5.816274000 -1.650497900 S 1 1 1.195521000 1.000000000 S 1 1 0.5657760000 1.000000000 S 1 1 0.1405270000 1.000000000 S 1 1 0.5082000000E-01 1.000000000 S 1 1 0.1500000000E-01 1.000000000 P 2 1 8.669796000 0.8677142000 2 6.245614000 -1.814482600 P 2 1 1.966384000 0.2709454000 2 1.020206000 0.7540443000 P 1 1 0.4065800000 1.000000000 P 1 1 0.9011600000E-01 1.000000000 P 1 1 0.2736400000E-01 1.000000000 D 4 1 3.699485000 -0.5973104000 2 3.361743000 0.6112252000 3 1.174525000 0.4732939000 4 0.4701760000 0.5755302000 D 1 1 0.1576780000 1.000000000 D 1 1 0.5000000000E-01 1.000000000 PLATINUM ! (8s7p6d)->[6s5p3d] S 3 1 16.55956300 -0.8849447000 2 13.89244000 1.501122800 3 5.853608000 -1.552901200 S 1 1 1.287320000 1.000000000 S 1 1 0.6047320000 1.000000000 S 1 1 0.1427830000 1.000000000 S 1 1 0.5096900000E-01 1.000000000 S 1 1 0.1500000000E-01 1.000000000 P 2 1 7.925175000 4.953075700 2 7.341538000 -5.898210000 P 2 1 1.912515000 0.3047425000 2 1.071545000 0.7164894000 P 1 1 0.4379170000 1.000000000 P 1 1 0.9362100000E-01 1.000000000 P 1 1 0.2780200000E-01 1.000000000 D 4 1 3.939531000 -0.5826439000 2 3.587777000 0.5922576000 3 1.286231000 0.4736921000 4 0.5198140000 0.5765202000 D 1 1 0.1747150000 1.000000000 D 1 1 0.5000000000E-01 1.000000000 GOLD ! (8s,6p,5d)->[7s,3p,4d] S 2 1 30.19653700 0.4733000000E-02 2 9.725973000 -0.3543820000 S 1 1 5.080406000 1.000000000 S 1 1 1.722657000 1.000000000 S 1 1 0.7264590000 1.000000000 S 1 1 0.9035400000E-01 1.000000000 S 1 1 0.2210600000E-01 1.000000000 S 1 1 0.6415000000E-02 1.000000000 P 4 1 13.83821900 0.3617900000E-01 2 5.195787000 -0.3283030000 3 1.798045000 0.6653880000 4 0.6661050000 0.5526660000 P 1 1 0.1543360000 1.000000000 P 1 1 0.3400000000E-01 1.000000000 D 2 1 6.337001000 -0.4410300000E-01 2 1.480697000 0.4621150000 D 1 1 0.5283820000 1.000000000 D 1 1 0.1711170000 1.000000000 D 1 1 0.4551200000E-01 1.000000000 MERCURY ! (8s8p7d)->[6s6p4d] S 3 1 20.41118100 -0.4493600000E-01 2 8.002190000 1.309176000 3 6.061546000 -1.845102000 S 1 1 1.148707000 1.000000000 S 1 1 0.5379260000 1.000000000 S 1 1 0.1203120000 1.000000000 S 1 1 0.4351000000E-01 1.000000000 S 1 1 0.1500000000E-01 1.000000000 P 2 1 9.283858000 0.1888940000 2 6.521945000 -0.4259770000 P 2 1 1.686345000 0.5023740000 2 0.8790190000 0.5155700000 P 1 1 0.3931810000 1.000000000 P 1 1 0.1125220000 1.000000000 P 1 1 0.3759500000E-01 1.000000000 P 1 1 0.1200000000E-01 1.000000000 D 4 1 5.019562000 -0.1021360000 2 2.713801000 0.1894800000 3 1.257838000 0.4441490000 4 0.5535440000 0.4276150000 D 1 1 0.2121650000 1.000000000 D 1 1 0.7000000000E-01 1.000000000 D 1 1 0.2000000000E-01 1.000000000 ACTINIUM ! (12s,11p,10d,8f)->[8s,7p,6d,4f] S 7 1 1572.481800 0.4210000000E-03 2 194.8882200 0.2133000000E-02 3 22.82375700 -0.4599690000 4 17.69174000 1.125739000 5 9.461652000 -1.378060000 6 2.368683000 1.091379000 7 1.240603000 0.3671320000 S 7 1 1572.481800 -0.2820000000E-03 2 194.8882200 -0.1086000000E-02 3 22.82375700 0.2240570000 4 17.69174000 -0.5802250000 5 9.461652000 0.7995590000 6 2.368683000 -1.022625000 7 1.240603000 -0.4158320000 S 7 1 1572.481800 0.9500000000E-04 2 194.8882200 0.3550000000E-03 3 22.82375700 -0.7200100000E-01 4 17.69174000 0.1879730000 5 9.461652000 -0.2638450000 6 2.368683000 0.3672530000 7 1.240603000 0.1634170000 S 1 1 0.5507620000 1.000000000 S 1 1 0.2604070000 1.000000000 S 1 1 0.6911300000E-01 1.000000000 S 1 1 0.3046900000E-01 1.000000000 S 1 1 0.1000000000E-01 1.000000000 P 6 1 395.6559300 0.6360000000E-03 2 90.76730100 0.3378000000E-02 3 13.19370000 0.1628330000 4 9.036476000 -0.3429890000 5 7.403626000 -0.8648900000E-01 6 2.875146000 0.6162380000 P 6 1 395.6559300 -0.3570000000E-03 2 90.76730100 -0.2112000000E-02 3 13.19370000 -0.9408300000E-01 4 9.036476000 0.2621430000 5 7.403626000 -0.4302100000E-01 6 2.875146000 -0.4221520000 P 1 1 1.467105000 1.000000000 P 1 1 0.5614660000 1.000000000 P 1 1 0.2352620000 1.000000000 P 1 1 0.4241100000E-01 1.000000000 P 1 1 0.1000000000E-01 1.000000000 D 6 1 80.69891100 0.6710000000E-03 2 62.82613200 -0.6570000000E-03 3 14.77606700 0.4431700000E-01 4 9.707118000 -0.1533040000 5 3.297494000 0.3803140000 6 1.704914000 0.5137960000 D 6 1 80.69891100 0.4600000000E-04 2 62.82613200 -0.1620000000E-03 3 14.77606700 -0.1038300000E-01 4 9.707118000 0.3963800000E-01 5 3.297494000 -0.1158890000 6 1.704914000 -0.1615060000 D 1 1 0.8304790000 1.000000000 D 1 1 0.3502190000 1.000000000 D 1 1 0.1391610000 1.000000000 D 1 1 0.5000000000E-01 1.000000000 F 5 1 58.07969000 0.9000000000E-05 2 2.615359000 0.9097000000E-02 3 0.9454010000 0.1591900000E-01 4 0.3082990000 0.2123200000E-01 5 0.9022200000E-01 0.1876900000E-01 F 1 1 0.2758200000E-01 1.000000000 F 1 1 0.5747000000E-02 1.000000000 F 1 1 0.1000000000E-02 1.000000000 THORIUM ! (12s11p7d8f)->[8s7p3d4f] S 7 1 1834.868700 0.1468000000E-02 2 274.5242800 0.6094000000E-02 3 22.15898700 -0.4781150000 4 17.44715100 1.244762000 5 10.02213900 -1.473133000 6 2.447502000 1.137039000 7 1.248024000 0.3262195000 S 7 1 1834.868700 -0.1365000000E-02 2 274.5242800 -0.5440000000E-02 3 22.15898700 0.2205030000 4 17.44715100 -0.6369360000 5 10.02213900 0.8710630000 6 2.447502000 -1.135222000 7 1.248024000 -0.3403006000 S 7 1 1834.868700 0.5130000000E-03 2 274.5242800 0.2042000000E-02 3 22.15898700 -0.7203100000E-01 4 17.44715100 0.2128480000 5 10.02213900 -0.2992180000 6 2.447502000 0.4298010000 7 1.248024000 0.1453152000 S 1 1 0.5715760000 1.000000000 S 1 1 0.2715260000 1.000000000 S 1 1 0.7714700000E-01 1.000000000 S 1 1 0.3254700000E-01 1.000000000 S 1 1 0.1000000000E-01 1.000000000 P 6 1 368.6037500 0.1155000000E-02 2 84.96395900 0.5800000000E-02 3 14.33632100 0.1258890000 4 9.036476000 -0.3137010000 5 7.051073000 -0.6762300000E-01 6 2.964871000 0.6216730000 P 6 1 368.6037500 -0.7210000000E-03 2 84.96395900 -0.3853000000E-02 3 14.33632100 -0.7897500000E-01 4 9.036476000 0.2632260000 5 7.051073000 -0.7219400000E-01 6 2.964871000 -0.4279380000 P 1 1 1.569413000 1.000000000 P 1 1 0.7570400000 1.000000000 P 1 1 0.3705130000 1.000000000 P 1 1 0.1666610000 1.000000000 P 1 1 0.5000000000E-01 1.000000000 D 6 1 83.19475400 0.6530000000E-03 2 64.76920800 -0.4340000000E-03 3 14.41984600 0.6918600000E-01 4 10.66166400 -0.1694730000 5 3.335458000 0.4239950000 6 1.701968000 0.5092150000 D 6 1 83.19475400 0.1160000000E-03 2 64.76920800 -0.3410000000E-03 3 14.41984600 -0.1814500000E-01 4 10.66166400 0.4856300000E-01 5 3.335458000 -0.1497090000 6 1.701968000 -0.1832080000 D 1 1 0.8260270000 1.000000000 D 1 1 0.3452310000 1.000000000 D 1 1 0.1364130000 1.000000000 D 1 1 0.5000000000E-01 1.000000000 F 5 1 89.98335000 0.2200000000E-04 2 35.68132900 0.1142000000E-02 3 4.360518000 0.5663500000E-01 4 2.534872000 0.2356420000 5 1.122993000 0.3919200000 F 1 1 0.4574110000 1.000000000 F 1 1 0.1740740000 1.000000000 F 1 1 0.5908700000E-01 1.000000000 PROTACTINIUM ! (12s11p10d8f)->[8s7p6d4f] S 7 1 2002.405300 0.2091000000E-02 2 299.1098700 0.8691000000E-02 3 22.37229200 -0.3477450000 4 16.32920100 1.461471000 5 10.86050100 -1.822458000 6 2.549175000 1.142239000 7 1.303505000 0.3217640000 S 7 1 2002.405300 -0.2379000000E-02 2 299.1098700 -0.9836000000E-02 3 22.37229200 0.1347910000 4 16.32920100 -0.7214210000 5 10.86050100 1.034025000 6 2.549175000 -1.123409000 7 1.303505000 -0.3266520000 S 7 1 2002.405300 0.8760000000E-03 2 299.1098700 0.3631000000E-02 3 22.37229200 -0.3789800000E-01 4 16.32920100 0.2194210000 5 10.86050100 -0.3247570000 6 2.549175000 0.3901500000 7 1.303505000 0.1243260000 S 1 1 0.5939180000 1.000000000 S 1 1 0.2772310000 1.000000000 S 1 1 0.6991800000E-01 1.000000000 S 1 1 0.3016500000E-01 1.000000000 S 1 1 0.1000000000E-01 1.000000000 P 6 1 417.6154400 -0.6950000000E-03 2 96.69706600 -0.3496000000E-02 3 13.33111200 -0.2784190000 4 10.16924800 0.5134830000 5 7.562484000 0.2837400000E-01 6 3.014577000 -0.6699550000 P 6 1 417.6154400 -0.4030000000E-03 2 96.69706600 -0.2219000000E-02 3 13.33111200 -0.1691020000 4 10.16924800 0.3620800000 5 7.562484000 -0.7562400000E-01 6 3.014577000 -0.4532580000 P 1 1 1.566516000 1.000000000 P 1 1 0.7183280000 1.000000000 P 1 1 0.3343590000 1.000000000 P 1 1 0.1388190000 1.000000000 P 1 1 0.1000000000E-01 1.000000000 D 6 1 83.25785400 -0.9380000000E-03 2 17.35910400 -0.1691020000 3 9.642072000 0.3620800000 4 3.712173000 -0.3535420000 5 1.983925000 -0.5060410000 6 0.9917990000 -0.2584600000 D 6 1 83.25785400 -0.3880000000E-03 2 17.35910400 -0.2326800000E-01 3 9.642072000 0.1120820000 4 3.712173000 -0.1328340000 5 1.983925000 -0.1819370000 6 0.9917990000 -0.7677000000E-02 D 1 1 0.4329420000 1.000000000 D 1 1 0.1737640000 1.000000000 D 1 1 0.6337500000E-01 1.000000000 D 1 1 0.1000000000E-01 1.000000000 F 5 1 41.56141200 0.1285000000E-02 2 15.69197200 0.5116000000E-02 3 4.030982000 0.1550320000 4 1.925908000 0.3467870000 5 0.8628200000 0.4001820000 F 1 1 0.3561730000 1.000000000 F 1 1 0.1286310000 1.000000000 F 1 1 0.1000000000E-01 1.000000000 URANIUM ! (12s,11p,10d,8f)->[8s,7p,6d,4f] S 7 1 1534.933600 0.9200000000E-03 2 227.7483800 0.3682000000E-02 3 30.69683100 -0.1502310000 4 18.17062600 0.9039950000 5 10.81353700 -1.485922000 6 2.733298000 1.124404000 7 1.431498000 0.3510760000 S 7 1 1534.933600 -0.6950000000E-03 2 227.7483800 -0.2293000000E-02 3 30.69683100 0.7244400000E-01 4 18.17062600 -0.4905590000 5 10.81353700 0.8898400000 6 2.733298000 -1.115758000 7 1.431498000 -0.3336500000 S 7 1 1534.933600 0.2230000000E-03 2 227.7483800 0.7220000000E-03 3 30.69683100 -0.2170200000E-01 4 18.17062600 0.1497960000 5 10.81353700 -0.2761100000 6 2.733298000 0.3765790000 7 1.431498000 0.1244080000 S 1 1 0.6152980000 1.000000000 S 1 1 0.2866390000 1.000000000 S 1 1 0.7117000000E-01 1.000000000 S 1 1 0.3053900000E-01 1.000000000 S 1 1 0.5000000000E-02 1.000000000 P 6 1 553.3452500 -0.1610000000E-02 2 109.2550100 -0.1108700000E-01 3 23.47603000 -0.4661900000E-01 4 6.794472000 0.6441530000 5 5.432319000 -0.5204550000 6 2.702169000 -0.6311540000 P 6 1 553.3452500 -0.1075000000E-02 2 109.2550100 -0.8042000000E-02 3 23.47603000 -0.2796900000E-01 4 6.794472000 0.4690490000 5 5.432319000 -0.4926390000 6 2.702169000 -0.3757660000 P 1 1 1.493857000 1.000000000 P 1 1 0.7928170000 1.000000000 P 1 1 0.3515420000 1.000000000 P 1 1 0.1439620000 1.000000000 P 1 1 0.5000000000E-02 1.000000000 D 6 1 81.20285800 -0.1620000000E-02 2 18.32557500 -0.2518100000E-01 3 10.45469900 0.8963200000E-01 4 3.666312000 -0.4094290000 5 1.923349000 -0.4822600000 6 0.9896380000 -0.2109030000 D 6 1 81.20285800 -0.6390000000E-03 2 18.32557500 -0.7021000000E-02 3 10.45469900 0.2664200000E-01 4 3.666312000 -0.1571320000 5 1.923349000 -0.1575720000 6 0.9896380000 -0.1100000000E-02 D 1 1 0.4953460000 1.000000000 D 1 1 0.2044550000 1.000000000 D 1 1 0.7327300000E-01 1.000000000 D 1 1 0.5000000000E-02 1.000000000 F 5 1 55.33452500 0.1294000000E-02 2 16.58864900 0.9857000000E-02 3 4.757518000 0.1303860000 4 2.387550000 0.3180830000 5 1.130195000 0.3953140000 F 1 1 0.4895350000 1.000000000 F 1 1 0.1814200000 1.000000000 F 1 1 0.5000000000E-02 1.000000000 NEPTUNIUM ! (12s11p10d8f)->[8s7p6d4f] S 7 1 2190.239700 0.1629000000E-02 2 327.2110000 0.6678000000E-02 3 23.41845500 -0.7538880000 4 19.16544500 1.777757000 5 11.80536500 -1.743216000 6 2.778924000 1.174117000 7 1.388084000 0.3000390000 S 7 1 2190.239700 -0.1702000000E-02 2 327.2110000 -0.6814000000E-02 3 23.41845500 0.3470490000 4 19.16544500 -0.9002590000 5 11.80536500 1.014196000 6 2.778924000 -1.180479000 7 1.388084000 -0.2595090000 S 7 1 2190.239700 0.5830000000E-03 2 327.2110000 0.2337000000E-02 3 23.41845500 -0.1004000000 4 19.16544500 0.2663740000 5 11.80536500 -0.3083690000 6 2.778924000 0.3941790000 7 1.388084000 0.9651200000E-01 S 1 1 0.6355180000 1.000000000 S 1 1 0.2942100000 1.000000000 S 1 1 0.7020600000E-01 1.000000000 S 1 1 0.2872100000E-01 1.000000000 S 1 1 0.5000000000E-02 1.000000000 P 6 1 416.5659100 -0.1804000000E-02 2 96.89553200 -0.9063000000E-02 3 17.78301300 -0.9957900000E-01 4 10.58680800 0.2030910000 5 7.513787000 0.1564380000 6 3.274494000 -0.7138790000 P 6 1 416.5659100 -0.1179000000E-02 2 96.89553200 -0.6183000000E-02 3 17.78301300 -0.6519700000E-01 4 10.58680800 0.1826590000 5 7.513787000 -0.9995000000E-02 6 3.274494000 -0.4917930000 P 1 1 1.617721000 1.000000000 P 1 1 0.7745280000 1.000000000 P 1 1 0.3525820000 1.000000000 P 1 1 0.1444850000 1.000000000 P 1 1 0.5000000000E-02 1.000000000 D 6 1 86.21840900 -0.1701000000E-02 2 19.77043400 -0.2250000000E-01 3 10.55907900 0.8771900000E-01 4 3.853469000 -0.4011110000 5 2.044794000 -0.4834120000 6 1.042901000 -0.2228560000 D 6 1 86.21840900 -0.6770000000E-03 2 19.77043400 -0.6320000000E-02 3 10.55907900 0.2619200000E-01 4 3.853469000 -0.1548970000 5 2.044794000 -0.1632410000 6 1.042901000 0.1261800000E-01 D 1 1 0.4789090000 1.000000000 D 1 1 0.1914050000 1.000000000 D 1 1 0.6784800000E-01 1.000000000 D 1 1 0.5000000000E-02 1.000000000 F 5 1 37.85902900 0.3247000000E-02 2 13.42103900 0.1404500000E-01 3 4.715367000 0.1553510000 4 2.372009000 0.3371280000 5 1.128629000 0.3938280000 F 1 1 0.4894680000 1.000000000 F 1 1 0.1828980000 1.000000000 F 1 1 0.5000000000E-02 1.000000000 PLUTONIUM ! (12s11p10d8f)->[8s7p6d4f] S 7 1 948.6802700 0.4970000000E-03 2 54.71578300 0.5860900000E-01 3 35.29620500 -0.4447490000 4 24.29050100 0.9364490000 5 11.29279200 -1.315855000 6 3.068188000 1.132839000 7 1.593698000 0.3727500000 S 7 1 948.6802700 -0.2970000000E-03 2 54.71578300 -0.2434200000E-01 3 35.29620500 0.2122670000 4 24.29050100 -0.4894980000 5 11.29279200 0.7979380000 6 3.068188000 -1.113338000 7 1.593698000 -0.3754250000 S 7 1 948.6802700 0.9000000000E-04 2 54.71578300 0.6955000000E-02 3 35.29620500 -0.6200500000E-01 4 24.29050100 0.1449640000 5 11.29279200 -0.2418270000 6 3.068188000 0.3646010000 7 1.593698000 0.1371870000 S 1 1 0.6944740000 1.000000000 S 1 1 0.3177070000 1.000000000 S 1 1 0.7242700000E-01 1.000000000 S 1 1 0.2954800000E-01 1.000000000 S 1 1 0.5000000000E-02 1.000000000 P 6 1 451.8370400 -0.2949000000E-02 2 105.1251900 -0.1495300000E-01 3 25.32626200 -0.5013000000E-01 4 6.769046000 1.006858000 5 5.712797000 -0.9841680000 6 2.463965000 -0.7396360000 P 6 1 451.8370400 -0.2062000000E-02 2 105.1251900 -0.1148200000E-01 3 25.32626200 -0.3082900000E-01 4 6.769046000 0.7155240000 5 5.712797000 -0.8065390000 6 2.463965000 -0.4680630000 P 1 1 1.156557000 1.000000000 P 1 1 0.6475580000 1.000000000 P 1 1 0.3002470000 1.000000000 P 1 1 0.1232180000 1.000000000 P 1 1 0.5000000000E-02 1.000000000 D 6 1 37.40643400 -0.9558000000E-02 2 6.938082000 0.3260240000 3 5.505817000 -0.5102190000 4 2.530288000 -0.5404430000 5 1.303188000 -0.2815920000 6 0.6515210000 -0.6456800000E-01 D 6 1 37.40643400 -0.3192000000E-02 2 6.938082000 0.1121370000 3 5.505817000 -0.1901670000 4 2.530288000 -0.1932440000 5 1.303188000 -0.4388900000E-01 6 0.6515210000 0.2241060000 D 1 1 0.3012460000 1.000000000 D 1 1 0.1314580000 1.000000000 D 1 1 0.5302800000E-01 1.000000000 D 1 1 0.1000000000E-01 1.000000000 F 5 1 43.17138000 0.3536000000E-02 2 14.27742400 0.2070100000E-01 3 4.882062000 0.1843890000 4 2.321195000 0.3811120000 5 1.068039000 0.3860880000 F 1 1 0.4680610000 1.000000000 F 1 1 0.1879530000 1.000000000 F 1 1 0.5000000000E-01 1.000000000 AMERICIUM ! (12s11p10d8f)->[8s7p6d4f] S 7 1 1000.131200 0.7160000000E-03 2 62.30775500 0.5715600000E-01 3 43.58320700 -0.2089470000 4 21.91881000 0.8411990000 5 12.17958000 -1.445059000 6 3.164697000 1.149511000 7 1.628487000 0.3491380000 S 7 1 1000.131200 -0.4340000000E-03 2 62.30775500 -0.2397000000E-01 3 43.58320700 0.9634700000E-01 4 21.91881000 -0.4551540000 5 12.17958000 0.8747620000 6 3.164697000 -1.151468000 7 1.628487000 -0.3161580000 S 7 1 1000.131200 -0.1300000000E-03 2 62.30775500 -0.6779000000E-02 3 43.58320700 0.2768800000E-01 4 21.91881000 -0.1341420000 5 12.17958000 0.2624010000 6 3.164697000 -0.3739470000 7 1.628487000 -0.1157300000 S 1 1 0.7098630000 1.000000000 S 1 1 0.3248240000 1.000000000 S 1 1 0.7443200000E-01 1.000000000 S 1 1 0.2990900000E-01 1.000000000 S 1 1 0.5000000000E-02 1.000000000 P 6 1 768.9059700 -0.2009000000E-02 2 140.8458100 -0.1612100000E-01 3 32.93808100 -0.4848200000E-01 4 6.061344000 2.127873000 5 5.493505000 -2.257939000 6 2.198226000 -0.7071510000 P 6 1 768.9059700 -0.1477000000E-02 2 140.8458100 -0.1281500000E-01 3 32.93808100 -0.3255300000E-01 4 6.061344000 1.483364000 5 5.493505000 -1.689340000 6 2.198226000 -0.4138320000 P 1 1 0.8908370000 1.000000000 P 1 1 0.4636550000 1.000000000 P 1 1 0.2275380000 1.000000000 P 1 1 0.9610400000E-01 1.000000000 P 1 1 0.5000000000E-02 1.000000000 D 6 1 39.66743300 -0.1060400000E-01 2 6.524304000 0.7199070000 3 5.831147000 -0.9280680000 4 2.579223000 -0.5411450000 5 1.302023000 -0.2729210000 6 0.6588630000 -0.4905100000E-01 D 6 1 39.66743300 -0.3549000000E-02 2 6.524304000 0.2465780000 3 5.831147000 -0.3324350000 4 2.579223000 -0.1891280000 5 1.302023000 -0.2869000000E-01 6 0.6588630000 0.2081580000 D 1 1 0.3954890000 1.000000000 D 1 1 0.2352330000 1.000000000 D 1 1 0.1082710000 1.000000000 D 1 1 0.5000000000E-01 1.000000000 F 5 1 77.36328700 0.1855000000E-02 2 18.66756700 0.2232900000E-01 3 5.774254000 0.1613960000 4 2.657586000 0.3896060000 5 1.198294000 0.3995490000 F 1 1 0.5221810000 1.000000000 F 1 1 0.2124980000 1.000000000 F 1 1 0.5000000000E-01 1.000000000 CURIUM ! (12s11p10d8f)->[8s7p6d4f] S 7 1 2284.105500 0.1203000000E-02 2 348.2173600 0.5180000000E-02 3 35.71041300 -0.1662490000 4 21.23851200 1.021132000 5 13.02726300 -1.595478000 6 3.260398000 1.128657000 7 1.706644000 0.3578400000 S 7 1 2284.105500 -0.1157000000E-02 2 348.2173600 -0.4386000000E-02 3 35.71041300 0.7916900000E-01 4 21.23851200 -0.5577310000 5 13.02726300 0.9609730000 6 3.260398000 -1.152732000 7 1.706644000 -0.2890340000 S 7 1 2284.105500 -0.3740000000E-03 2 348.2173600 -0.1402000000E-02 3 35.71041300 0.2261200000E-01 4 21.23851200 -0.1633930000 5 13.02726300 0.2860860000 6 3.260398000 -0.3722970000 7 1.706644000 -0.1045490000 S 1 1 0.7236940000 1.000000000 S 1 1 0.3325220000 1.000000000 S 1 1 0.7713300000E-01 1.000000000 S 1 1 0.3111200000E-01 1.000000000 S 1 1 0.5000000000E-02 1.000000000 P 6 1 499.6142600 -0.4151000000E-02 2 116.6066300 -0.2118700000E-01 3 29.97079300 -0.5551300000E-01 4 6.853429000 0.9725640000 5 5.735064000 -1.003327000 6 2.550866000 -0.7089510000 P 6 1 499.6142600 -0.3153000000E-02 2 116.6066300 -0.1740300000E-01 3 29.97079300 -0.3791200000E-01 4 6.853429000 0.6955950000 5 5.735064000 -0.8435490000 6 2.550866000 -0.4161010000 P 1 1 1.204138000 1.000000000 P 1 1 0.7280850000 1.000000000 P 1 1 0.3333030000 1.000000000 P 1 1 0.1359650000 1.000000000 P 1 1 0.5000000000E-02 1.000000000 D 6 1 41.12014900 -0.1236900000E-01 2 7.026190000 0.2397450000 3 5.345197000 -0.5025980000 4 2.532831000 -0.5267980000 5 1.290912000 -0.2408580000 6 0.6786300000 -0.4605700000E-01 D 6 1 41.12014900 -0.4009000000E-02 2 7.026190000 0.7345000000E-01 3 5.345197000 -0.1753220000 4 2.532831000 -0.1714030000 5 1.290912000 -0.1249900000E-01 6 0.6786300000 0.2008130000 D 1 1 0.3267970000 1.000000000 D 1 1 0.1413810000 1.000000000 D 1 1 0.5449900000E-01 1.000000000 D 1 1 0.1000000000E-01 1.000000000 F 5 1 45.04949700 0.5859000000E-02 2 15.25642500 0.3447300000E-01 3 5.639299000 0.1904780000 4 2.678522000 0.3893420000 5 1.239513000 0.3834330000 F 1 1 0.5460490000 1.000000000 F 1 1 0.2190320000 1.000000000 F 1 1 0.5000000000E-01 1.000000000 BERKELIUM ! (12s11p10d8f)->[8s7p6d4f] S 7 1 1574.047500 0.1291000000E-02 2 202.9041000 0.4741000000E-02 3 36.35768100 -0.2108880000 4 22.57420400 1.059960000 5 13.56889400 -1.602115000 6 3.437083000 1.129728000 7 1.814461000 0.3606940000 S 7 1 1574.047500 -0.9400000000E-03 2 202.9041000 -0.2758000000E-02 3 36.35768100 0.1056330000 4 22.57420400 -0.5843560000 5 13.56889400 0.9716780000 6 3.437083000 -1.155456000 7 1.814461000 -0.2884240000 S 7 1 1574.047500 -0.2870000000E-03 2 202.9041000 -0.8210000000E-03 3 36.35768100 0.3048500000E-01 4 22.57420400 -0.1712280000 5 13.56889400 0.2890220000 6 3.437083000 -0.3717670000 7 1.814461000 -0.1049380000 S 1 1 0.7549600000 1.000000000 S 1 1 0.3465930000 1.000000000 S 1 1 0.8069600000E-01 1.000000000 S 1 1 0.3233900000E-01 1.000000000 S 1 1 0.5000000000E-02 1.000000000 P 6 1 664.8985800 -0.3205000000E-02 2 172.1981600 -0.1646100000E-01 3 57.94880000 -0.3279600000E-01 4 18.15671900 -0.1028350000 5 9.402115000 0.3559200000 6 4.556943000 -0.4521250000 P 6 1 664.8985800 -0.2697000000E-02 2 172.1981600 -0.1322900000E-01 3 57.94880000 -0.2973400000E-01 4 18.15671900 -0.5561500000E-01 5 9.402115000 0.1947610000 6 4.556943000 -0.4217750000 P 1 1 2.294572000 1.000000000 P 1 1 0.9127430000 1.000000000 P 1 1 0.4307510000 1.000000000 P 1 1 0.1753430000 1.000000000 P 1 1 0.5000000000E-02 1.000000000 D 6 1 149.0714900 -0.2297000000E-02 2 38.88815500 -0.1733800000E-01 3 3.803954000 -0.5797300000 4 1.705477000 -0.4534940000 5 1.024139000 0.8119500000E-01 6 0.8178390000 -0.1389030000 D 6 1 149.0714900 -0.6860000000E-03 2 38.88815500 -0.5922000000E-02 3 3.803954000 -0.2129760000 4 1.705477000 -0.3313200000E-01 5 1.024139000 -0.2268240000 6 0.8178390000 0.4071660000 D 1 1 0.2938490000 1.000000000 D 1 1 0.1164010000 1.000000000 D 1 1 0.4405600000E-01 1.000000000 D 1 1 0.5000000000E-02 1.000000000 F 5 1 47.84467200 0.6639000000E-02 2 16.26262500 0.3982500000E-01 3 6.113784000 0.1881010000 4 2.883532000 0.3901810000 5 1.324749000 0.3861940000 F 1 1 0.5752130000 1.000000000 F 1 1 0.2226530000 1.000000000 F 1 1 0.5000000000E-02 1.000000000 CALIFORNIUM ! (12s11p10d8f)->[8s7p6d4f] S 7 1 658.1933200 0.3390000000E-03 2 126.1414500 0.4346000000E-02 3 35.26237200 -0.5836920000 4 27.57844300 1.249680000 5 13.88761100 -1.427789000 6 3.618882000 1.131152000 7 1.861230000 0.3654090000 S 7 1 658.1933200 -0.2890000000E-03 2 126.1414500 -0.1515000000E-02 3 35.26237200 0.2981950000 4 27.57844300 -0.6697220000 5 13.88761100 0.8650140000 6 3.618882000 -1.127718000 7 1.861230000 -0.3291180000 S 7 1 658.1933200 -0.8600000000E-04 2 126.1414500 -0.4070000000E-03 3 35.26237200 0.8597600000E-01 4 27.57844300 -0.1944570000 5 13.88761100 0.2557450000 6 3.618882000 -0.3573290000 7 1.861230000 -0.1236040000 S 1 1 0.8064390000 1.000000000 S 1 1 0.3656090000 1.000000000 S 1 1 0.8279700000E-01 1.000000000 S 1 1 0.3317000000E-01 1.000000000 S 1 1 0.5000000000E-02 1.000000000 P 6 1 1240.283100 -0.2772000000E-02 2 294.3207800 -0.1985400000E-01 3 93.15679000 -0.6074200000E-01 4 30.46576900 -0.9795100000E-01 5 5.799947000 0.7730290000 6 4.570330000 -1.024386000 P 6 1 1240.283100 -0.3325000000E-02 2 294.3207800 -0.2301600000E-01 3 93.15679000 -0.7482200000E-01 4 30.46576900 -0.1044700000 5 5.799947000 0.3716790000 6 4.570330000 -0.7432980000 P 1 1 1.987632000 1.000000000 P 1 1 0.8506310000 1.000000000 P 1 1 0.3852170000 1.000000000 P 1 1 0.1563570000 1.000000000 P 1 1 0.5000000000E-02 1.000000000 D 6 1 124.8161600 -0.3785000000E-02 2 34.57643800 -0.2176200000E-01 3 6.322014000 0.1373750000 4 4.937569000 -0.5471010000 5 2.313290000 -0.5041500000 6 1.076892000 -0.1680350000 D 6 1 124.8161600 0.1221000000E-02 2 34.57643800 0.6683000000E-02 3 6.322014000 -0.1910700000E-01 4 4.937569000 0.1544640000 5 2.313290000 0.1448410000 6 1.076892000 -0.1012240000 D 1 1 0.4205030000 1.000000000 D 1 1 0.1560400000 1.000000000 D 1 1 0.5347100000E-01 1.000000000 D 1 1 0.5000000000E-02 1.000000000 F 5 1 57.86442300 0.6635000000E-02 2 19.90814000 0.4345000000E-01 3 7.859885000 0.1579620000 4 3.600272000 0.3679210000 5 1.646561000 0.4016310000 F 1 1 0.7074210000 1.000000000 F 1 1 0.2684740000 1.000000000 F 1 1 0.5000000000E-02 1.000000000 ! (12s11p10d8f)->[8s7p6d4f] S 7 1 569.4898400 -0.2510000000E-03 2 126.1414500 0.6386000000E-02 3 36.69293400 -1.170577000 4 31.34439700 1.841526000 5 14.69496400 -1.442623000 6 3.751980000 1.159292000 7 1.860397000 0.3436210000 S 7 1 569.4898400 0.6800000000E-04 2 126.1414500 -0.2720000000E-02 3 36.69293400 0.6183820000 4 31.34439700 -0.9934860000 5 14.69496400 0.8689130000 6 3.751980000 -1.125597000 7 1.860397000 -0.3592790000 S 7 1 569.4898400 0.1600000000E-04 2 126.1414500 -0.7540000000E-03 3 36.69293400 0.1792750000 4 31.34439700 -0.2890120000 5 14.69496400 0.2570440000 6 3.751980000 -0.3536640000 7 1.860397000 -0.1462040000 S 1 1 0.8827170000 1.000000000 S 1 1 0.4022900000 1.000000000 S 1 1 0.1010850000 1.000000000 S 1 1 0.4777500000E-01 1.000000000 S 1 1 0.5000000000E-02 1.000000000 P 6 1 1225.762400 -0.3626000000E-02 2 291.8689100 -0.2533700000E-01 3 92.95568500 -0.7479900000E-01 4 30.69405100 -0.1106240000 5 5.178603000 1.276825000 6 4.434219000 -1.565002000 P 6 1 1225.762400 -0.4987000000E-02 2 291.8689100 -0.3395700000E-01 3 92.95568500 -0.1053000000 4 30.69405100 -0.1376940000 5 5.178603000 0.4690360000 6 4.434219000 -0.8650480000 P 1 1 1.848539000 1.000000000 P 1 1 0.8717430000 1.000000000 P 1 1 0.3938500000 1.000000000 P 1 1 0.1671810000 1.000000000 P 1 1 0.5000000000E-02 1.000000000 D 6 1 126.5197100 -0.4501000000E-02 2 35.07218200 -0.2528100000E-01 3 4.815238000 -0.3088350000 4 3.814381000 -0.2260160000 5 2.097165000 -0.4318260000 6 0.9819680000 -0.1239010000 D 6 1 126.5197100 0.1377000000E-02 2 35.07218200 0.7952000000E-02 3 4.815238000 0.1558220000 4 3.814381000 -0.4885000000E-02 5 2.097165000 0.1390770000 6 0.9819680000 -0.1665540000 D 1 1 0.3542190000 1.000000000 D 1 1 0.1285550000 1.000000000 D 1 1 0.4609100000E-01 1.000000000 D 1 1 0.5000000000E-02 1.000000000 F 5 1 55.63663900 0.9771000000E-02 2 19.18226600 0.6089200000E-01 3 7.683819000 0.1947420000 4 3.487024000 0.3840300000 5 1.592938000 0.3808240000 F 1 1 0.6971670000 1.000000000 F 1 1 0.2790290000 1.000000000 F 1 1 0.5000000000E-02 1.000000000 ! (12s,11p,10d,8f)->[8s,7p,6d,4f] S 7 1 1342.568000 0.2600000000E-04 2 71.72801200 0.8226700000E-01 3 51.78138300 -0.3287910000 4 28.35425400 1.057697000 5 15.78982400 -1.560881000 6 3.757460000 1.222707000 7 1.655716000 0.2905620000 S 7 1 1342.568000 -0.1900000000E-04 2 71.72801200 -0.3880900000E-01 3 51.78138300 0.1649480000 4 28.35425400 -0.5791590000 5 15.78982400 0.9316390000 6 3.757460000 -1.193929000 7 1.655716000 -0.3069160000 S 7 1 1342.568000 -0.5000000000E-05 2 71.72801200 -0.1118400000E-01 3 51.78138300 0.4781600000E-01 4 28.35425400 -0.1695250000 5 15.78982400 0.2758540000 6 3.757460000 -0.3783580000 7 1.655716000 -0.1314320000 S 1 1 0.9042190000 1.000000000 S 1 1 0.3989770000 1.000000000 S 1 1 0.8929400000E-01 1.000000000 S 1 1 0.3546300000E-01 1.000000000 S 1 1 0.5100000000E-02 1.000000000 P 6 1 610.4278800 -0.1334400000E-01 2 143.3444600 -0.7072800000E-01 3 41.16463900 -0.1305020000 4 6.914620000 -0.7311060000 5 5.674547000 1.939749000 6 4.230631000 -1.613212000 P 6 1 610.4278800 0.1990900000E-01 2 143.3444600 0.1081790000 3 41.16463900 0.1905960000 4 6.914620000 0.5834550000 5 5.674547000 -1.166456000 6 4.230631000 1.080196000 P 1 1 1.517389000 1.000000000 P 1 1 0.6856190000 1.000000000 P 1 1 0.3216540000 1.000000000 P 1 1 0.1564700000 1.000000000 P 1 1 0.5390700000E-01 1.000000000 D 6 1 102.8469600 -0.7611000000E-02 2 31.15417300 -0.3157000000E-01 3 4.800803000 -0.5506070000 4 3.703703000 0.2647500000 5 2.727539000 -0.5890270000 6 1.287173000 -0.2003160000 D 6 1 102.8469600 0.2354000000E-02 2 31.15417300 0.1020500000E-01 3 4.800803000 0.2425790000 4 3.703703000 -0.1966520000 5 2.727539000 0.2294360000 6 1.287173000 -0.7134000000E-01 D 1 1 0.5586510000 1.000000000 D 1 1 0.2581320000 1.000000000 D 1 1 0.1108210000 1.000000000 D 1 1 0.4273000000E-01 1.000000000 F 5 1 57.18854400 0.1139600000E-01 2 18.27654900 0.7994000000E-01 3 6.834491000 0.2655600000 4 2.943981000 0.4371060000 5 1.259820000 0.3524580000 F 1 1 0.5233170000 1.000000000 F 1 1 0.2053100000 1.000000000 F 1 1 0.4950200000E-01 1.000000000 ! (12s11p10d8f)->[8s7p6d4f] S 7 1 2405.626500 0.1090000000E-03 2 64.77849600 0.2139870000 3 48.45735100 -1.085922000 4 37.78001700 1.351164000 5 14.43013200 -1.305744000 6 4.482310000 1.002340000 7 2.417670000 0.5410740000 S 7 1 2405.626500 -0.5300000000E-04 2 64.77849600 -0.1041070000 3 48.45735100 0.5554600000 4 37.78001700 -0.7181890000 5 14.43013200 0.8070950000 6 4.482310000 -0.9598440000 7 2.417670000 -0.5401580000 S 7 1 2405.626500 0.1400000000E-04 2 64.77849600 0.2872100000E-01 3 48.45735100 -0.1555990000 4 37.78001700 0.2031250000 5 14.43013200 -0.2343660000 6 4.482310000 0.2904520000 7 2.417670000 0.1990580000 S 1 1 0.9327690000 1.000000000 S 1 1 0.4191810000 1.000000000 S 1 1 0.1070280000 1.000000000 S 1 1 0.4994900000E-01 1.000000000 S 1 1 0.5000000000E-02 1.000000000 P 6 1 1313.506900 -0.3876000000E-02 2 312.4028800 -0.2701900000E-01 3 99.27327300 -0.7812100000E-01 4 32.70886000 -0.1117520000 5 5.715371000 0.9002390000 6 4.602067000 -1.174035000 P 6 1 1313.506900 0.5580000000E-02 2 312.4028800 0.3787400000E-01 3 99.27327300 0.1151780000 4 32.70886000 0.1443460000 5 5.715371000 -0.2988840000 6 4.602067000 0.6930950000 P 1 1 1.971867000 1.000000000 P 1 1 0.9069580000 1.000000000 P 1 1 0.4083950000 1.000000000 P 1 1 0.1718260000 1.000000000 P 1 1 0.5000000000E-02 1.000000000 D 6 1 307.4572900 -0.1071000000E-02 2 91.31519200 -0.7787000000E-02 3 32.02114400 -0.2999500000E-01 4 5.023761000 -0.4381790000 5 2.573649000 -0.4570870000 6 1.290140000 -0.1779730000 D 6 1 307.4572900 0.3550000000E-03 2 91.31519200 0.2293000000E-02 3 32.02114400 0.9868000000E-02 4 5.023761000 0.1630010000 5 2.573649000 0.6751200000E-01 6 1.290140000 0.3479400000E-01 D 1 1 0.6001520000 1.000000000 D 1 1 0.1709450000 1.000000000 D 1 1 0.9023900000E-01 1.000000000 D 1 1 0.5000000000E-02 1.000000000 F 5 1 86.95802200 0.4256000000E-02 2 30.15143400 0.3183700000E-01 3 12.34469900 0.1157670000 4 5.390067000 0.3159330000 5 2.464682000 0.4222180000 F 1 1 1.051675000 1.000000000 F 1 1 0.3967400000 1.000000000 F 1 1 0.5000000000E-02 1.000000000 ! (12s11p10d8f)->[8s7p6d4f] S 7 1 2330.031100 0.1480000000E-03 2 81.85889500 0.5325300000E-01 3 51.04970400 -0.4178460000 4 34.11506300 0.9091170000 5 15.19884700 -1.370553000 6 4.762583000 0.9202520000 7 2.657178000 0.6131350000 S 7 1 2330.031100 -0.7300000000E-04 2 81.85889500 -0.2465000000E-01 3 51.04970400 0.2118540000 4 34.11506300 -0.4917060000 5 15.19884700 0.8451740000 6 4.762583000 -0.8791340000 7 2.657178000 -0.6267760000 S 7 1 2330.031100 -0.1900000000E-04 2 81.85889500 -0.6777000000E-02 3 51.04970400 0.5973700000E-01 4 34.11506300 -0.1405690000 5 15.19884700 0.2467820000 6 4.762583000 -0.2673790000 7 2.657178000 -0.2217780000 S 1 1 1.008923000 1.000000000 S 1 1 0.4588670000 1.000000000 S 1 1 0.1095870000 1.000000000 S 1 1 0.5097600000E-01 1.000000000 S 1 1 0.5000000000E-02 1.000000000 P 6 1 1370.502000 -0.3730000000E-02 2 325.7601500 -0.2602300000E-01 3 103.3824500 -0.7479600000E-01 4 33.90458000 -0.1078780000 5 6.231272000 0.8930080000 6 5.064299000 -1.105936000 P 6 1 1370.502000 0.5189000000E-02 2 325.7601500 0.3515900000E-01 3 103.3824500 0.1067540000 4 33.90458000 0.1330720000 5 6.231272000 -0.3737440000 6 5.064299000 0.7306030000 P 1 1 2.217818000 1.000000000 P 1 1 1.003463000 1.000000000 P 1 1 0.4557190000 1.000000000 P 1 1 0.1886770000 1.000000000 P 1 1 0.5000000000E-02 1.000000000 D 6 1 274.4613600 -0.1649000000E-02 2 82.03865100 -0.1103500000E-01 3 29.56842500 -0.3645000000E-01 4 5.349228000 -0.3860160000 5 2.849545000 -0.4579230000 6 1.465653000 -0.2148440000 D 6 1 274.4613600 0.5220000000E-03 2 82.03865100 0.3080000000E-02 3 29.56842500 0.1159500000E-01 4 5.349228000 0.1331040000 5 2.849545000 0.9580400000E-01 6 1.465653000 0.2728000000E-02 D 1 1 0.7045840000 1.000000000 D 1 1 0.2426730000 1.000000000 D 1 1 0.5457100000E-01 1.000000000 D 1 1 0.5000000000E-02 1.000000000 F 5 1 97.04318000 0.4126000000E-02 2 33.37314300 0.3282200000E-01 3 13.57543000 0.1217540000 4 5.792836000 0.3127710000 5 2.615175000 0.4254910000 F 1 1 1.106607000 1.000000000 F 1 1 0.4144940000 1.000000000 F 1 1 0.5000000000E-02 1.000000000 ! (12s,11p,10d,8f)->[8s,7p,6d,4f] S 7 1 1982.773900 -0.1510000000E-03 2 74.72688800 0.5335930000 3 56.14818700 -2.660836000 4 45.34633100 2.900280000 5 18.17731800 -1.576056000 6 4.502364000 1.120222000 7 2.533570000 0.3614000000 S 7 1 1982.773900 0.9200000000E-04 2 74.72688800 -0.2888620000 3 56.14818700 1.442488000 4 45.34633100 -1.580948000 5 18.17731800 0.9249600000 6 4.502364000 -0.9975640000 7 2.533570000 -0.4948920000 S 7 1 1982.773900 0.2700000000E-04 2 74.72688800 -0.8266400000E-01 3 56.14818700 0.4127780000 4 45.34633100 -0.4526750000 5 18.17731800 0.2675200000 6 4.502364000 -0.3027570000 7 2.533570000 -0.1810730000 S 1 1 1.108482000 1.000000000 S 1 1 0.4850030000 1.000000000 S 1 1 0.1061880000 1.000000000 S 1 1 0.4462000000E-01 1.000000000 S 1 1 0.1300000000E-01 1.000000000 P 6 1 1460.122100 -0.3925000000E-02 2 346.6720100 -0.2759100000E-01 3 109.6248700 -0.8114900000E-01 4 35.82813300 -0.1146720000 5 5.806813000 0.9940360000 6 4.708354000 -1.303804000 P 6 1 1460.122100 0.5980000000E-02 2 346.6720100 0.4098700000E-01 3 109.6248700 0.1263740000 4 35.82813300 0.1580190000 5 5.806813000 -0.2647330000 6 4.708354000 0.6699550000 P 1 1 1.982986000 1.000000000 P 1 1 1.024117000 1.000000000 P 1 1 0.4803960000 1.000000000 P 1 1 0.2111760000 1.000000000 P 1 1 0.5000000000E-01 1.000000000 D 6 1 225.5357800 -0.4474000000E-02 2 67.40388900 -0.2745300000E-01 3 24.39881000 -0.7456300000E-01 4 7.082788000 -0.1942270000 5 3.693584000 -0.5037500000 6 1.814562000 -0.3234790000 D 6 1 225.5357800 0.1380000000E-02 2 67.40388900 0.8626000000E-02 3 24.39881000 0.2289400000E-01 4 7.082788000 0.7700900000E-01 5 3.693584000 0.1233010000 6 1.814562000 0.4077400000E-01 D 1 1 0.8176850000 1.000000000 D 1 1 0.2722550000 1.000000000 D 1 1 0.7744800000E-01 1.000000000 D 1 1 0.1000000000E-01 1.000000000 F 5 1 93.14353600 0.4637000000E-02 2 32.40988300 0.3394200000E-01 3 13.38122100 0.1190580000 4 5.906573000 0.3109980000 5 2.751816000 0.4116270000 F 1 1 1.203471000 1.000000000 F 1 1 0.4590310000 1.000000000 F 1 1 0.5000000000E-01 1.000000000 Effective Core Potential ------------------------ PM-ECP GEN 28 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-H POTENTIAL ----- 575.39574900 2 21.94286500 1 ----- P-H POTENTIAL ----- 281.70451400 2 16.55516100 1 ----- D-H POTENTIAL ----- 123.52473700 2 13.96030800 1 ----- F-H POTENTIAL ----- -50.74151100 2 24.03354600 1 ----- G-H POTENTIAL ----- -24.37251000 2 19.26024500 SM-ECP GEN 28 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-H POTENTIAL ----- 572.98533200 2 22.34447100 1 ----- P-H POTENTIAL ----- 272.35914500 2 16.69459000 1 ----- D-H POTENTIAL ----- 115.29390000 2 13.72770500 1 ----- F-H POTENTIAL ----- -51.10839200 2 24.05909200 1 ----- G-H POTENTIAL ----- -25.42188500 2 20.19724900 EU-ECP GEN 28 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-H POTENTIAL ----- 607.65933100 2 23.47138400 1 ----- P-H POTENTIAL ----- 264.38547600 2 16.77247900 1 ----- D-H POTENTIAL ----- 115.38137500 2 13.98134300 1 ----- F-H POTENTIAL ----- -49.40079400 2 23.96288800 1 ----- G-H POTENTIAL ----- -26.74827300 2 21.23245800 GD-ECP GEN 28 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-H POTENTIAL ----- 637.20086900 2 24.60215100 1 ----- P-H POTENTIAL ----- 261.68960100 2 16.88925000 1 ----- D-H POTENTIAL ----- 106.85653300 2 13.64335800 1 ----- F-H POTENTIAL ----- -50.68359000 2 24.12691700 1 ----- G-H POTENTIAL ----- -27.57963000 2 22.13188700 TB-ECP GEN 28 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-H POTENTIAL ----- 668.59715500 2 24.95295600 1 ----- P-H POTENTIAL ----- 266.98047500 2 17.61089900 1 ----- D-H POTENTIAL ----- 97.50659600 2 12.97600900 1 ----- F-H POTENTIAL ----- -52.17575700 2 24.24886900 1 ----- G-H POTENTIAL ----- -28.69426800 2 23.13067200 DY-ECP GEN 28 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-H POTENTIAL ----- 705.67122100 2 26.42958600 1 ----- P-H POTENTIAL ----- 254.86698900 2 17.31703400 1 ----- D-H POTENTIAL ----- 95.04518700 2 12.91359900 1 ----- F-H POTENTIAL ----- -54.57409300 2 24.90787800 1 ----- G-H POTENTIAL ----- -29.82827700 2 24.14875300 HO-ECP GEN 28 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-H POTENTIAL ----- 755.70313600 2 28.39725700 1 ----- P-H POTENTIAL ----- 253.55199800 2 17.43863300 1 ----- D-H POTENTIAL ----- 89.63567700 2 12.43421200 1 ----- F-H POTENTIAL ----- -55.48203600 2 25.38701000 1 ----- G-H POTENTIAL ----- -30.99112500 2 25.18850100 ER-ECP GEN 28 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-H POTENTIAL ----- 800.95287600 2 29.79859200 1 ----- P-H POTENTIAL ----- 262.01986900 2 18.11423700 1 ----- D-H POTENTIAL ----- 80.17055200 2 11.36958700 1 ----- F-H POTENTIAL ----- -42.33628500 2 21.82123300 1 ----- G-H POTENTIAL ----- -32.18527800 2 26.25073500 TM-ECP GEN 28 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-H POTENTIAL ----- 845.51074300 2 31.14412200 1 ----- P-H POTENTIAL ----- 258.58523900 2 18.09235300 1 ----- D-H POTENTIAL ----- 80.72905900 2 11.46915900 1 ----- F-H POTENTIAL ----- -48.70126600 2 23.60554400 1 ----- G-H POTENTIAL ----- -33.39549600 2 27.32978100 YB-ECP GEN 28 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-H POTENTIAL ----- 891.01377700 2 32.42448400 1 ----- P-H POTENTIAL ----- 264.03695300 2 18.65623200 1 ----- D-H POTENTIAL ----- 73.92391900 2 10.49022200 1 ----- F-H POTENTIAL ----- -39.59217300 2 20.77418300 1 ----- G-H POTENTIAL ----- -34.63863800 2 28.43102800 HF-ECP GEN 60 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-H POTENTIAL ----- 1499.28471100 2 14.76995900 40.28210100 2 7.38497900 2 ----- P-H POTENTIAL ----- 397.73300500 2 9.84949000 19.31640600 2 4.92474500 2 ----- D-H POTENTIAL ----- 101.32980500 2 6.09675600 5.87343800 2 3.04837800 1 ----- F-H POTENTIAL ----- 10.04672300 2 1.78577000 1 ----- G-H POTENTIAL ----- -9.55824400 2 2.63240000 TA-ECP GEN 60 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-H POTENTIAL ----- 1345.88064700 2 14.54640800 36.76680600 2 7.27320400 2 ----- P-H POTENTIAL ----- 378.42530100 2 9.93556500 22.29309100 2 4.96778200 2 ----- D-H POTENTIAL ----- 104.88395600 2 6.34737700 8.75584800 2 3.17368800 1 ----- F-H POTENTIAL ----- 12.01796100 2 2.01788100 1 ----- G-H POTENTIAL ----- -11.72893300 2 3.04033000 W-ECP GEN 60 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-H POTENTIAL ----- 1192.39588200 2 14.32285600 32.52293300 2 7.16142800 2 ----- P-H POTENTIAL ----- 359.03196700 2 10.02164100 24.03038000 2 5.01082000 2 ----- D-H POTENTIAL ----- 108.30134900 2 6.59799700 10.98252800 2 3.29899900 1 ----- F-H POTENTIAL ----- 14.15257900 2 2.25888800 1 ----- G-H POTENTIAL ----- -14.05643500 2 3.46411000 RE-ECP GEN 60 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-H POTENTIAL ----- 1038.95157200 2 14.09930500 29.56173800 2 7.04965300 2 ----- P-H POTENTIAL ----- 339.54351000 2 10.10771700 24.91369600 2 5.05385800 2 ----- D-H POTENTIAL ----- 111.69965300 2 6.84861800 12.62432900 2 3.42430900 1 ----- F-H POTENTIAL ----- 16.44985200 2 2.50865100 1 ----- G-H POTENTIAL ----- -16.50112000 2 3.90124500 OS-ECP GEN 60 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-H POTENTIAL ----- 885.40571900 2 13.87575400 25.96704000 2 6.93787700 2 ----- P-H POTENTIAL ----- 320.08390200 2 10.19379300 26.14876500 2 5.09689600 2 ----- D-H POTENTIAL ----- 115.04484300 2 7.09923800 13.62257500 2 3.54961900 1 ----- F-H POTENTIAL ----- 18.90945700 2 2.76707500 1 ----- G-H POTENTIAL ----- -19.02759500 2 4.34990500 IR-ECP GEN 60 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-H POTENTIAL ----- 732.26920000 2 13.65220300 26.48472100 2 6.82610100 2 ----- P-H POTENTIAL ----- 299.48947400 2 10.27986800 26.46623400 2 5.13993400 2 ----- D-H POTENTIAL ----- 124.45759500 2 7.34985900 14.03599500 2 3.67492900 1 ----- F-H POTENTIAL ----- 21.53103100 2 3.03407200 1 ----- G-H POTENTIAL ----- -21.60759700 2 4.80885700 PT-ECP GEN 60 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-H POTENTIAL ----- 579.22386100 2 13.42865100 29.66949100 2 6.71432600 2 ----- P-H POTENTIAL ----- 280.86077400 2 10.36594400 26.74538200 2 5.18297200 2 ----- D-H POTENTIAL ----- 120.39644400 2 7.60047900 15.81092100 2 3.80024000 1 ----- F-H POTENTIAL ----- 24.31437600 2 3.30956900 1 ----- G-H POTENTIAL ----- -24.21867500 2 5.27728900 AU-ECP GEN 60 4 1 ----- G POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-G POTENTIAL ----- 426.70984000 2 13.20510000 35.93882400 2 6.60255000 2 ----- P-G POTENTIAL ----- 261.16102300 2 10.45202000 26.62628400 2 5.22601000 2 ----- D-G POTENTIAL ----- 124.75683100 2 7.85110000 15.77226000 2 3.92555000 2 ----- F-G POTENTIAL ----- 30.56847500 2 4.78980000 5.18377400 2 2.39491000 HG-ECP GEN 60 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 2 ----- S-H POTENTIAL ----- 274.53216900 2 12.98154900 49.18219200 2 6.49077400 2 ----- P-H POTENTIAL ----- 237.39577000 2 10.53809600 28.12158400 2 5.26904800 2 ----- D-H POTENTIAL ----- 114.25203400 2 8.10172100 18.49563800 2 4.05086000 1 ----- F-H POTENTIAL ----- 30.36499600 2 3.88579100 1 ----- G-H POTENTIAL ----- -29.47311800 2 6.24100000 AC-ECP GEN 60 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-H POTENTIAL ----- 476.14692192 2 14.65187951 1 ----- P-H POTENTIAL ----- 185.89552068 2 9.18034600 1 ----- D-H POTENTIAL ----- 204.17603473 2 9.52316367 1 ----- F-H POTENTIAL ----- 100.81825474 2 7.59420962 1 ----- G-H POTENTIAL ----- -51.61524181 2 11.02773233 TH-ECP GEN 60 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-H POTENTIAL ----- 455.05596763 2 14.77642413 1 ----- P-H POTENTIAL ----- 177.69179070 2 9.08318434 1 ----- D-H POTENTIAL ----- 197.23270511 2 9.65385771 1 ----- F-H POTENTIAL ----- 82.90872723 2 7.38076589 1 ----- G-H POTENTIAL ----- -55.12641906 2 11.60902462 PA-ECP GEN 60 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-H POTENTIAL ----- 475.47573283 2 15.26917367 1 ----- P-H POTENTIAL ----- 207.66485962 2 9.95773699 1 ----- D-H POTENTIAL ----- 156.67411988 2 8.94314126 1 ----- F-H POTENTIAL ----- 67.98223685 2 7.01046662 1 ----- G-H POTENTIAL ----- -57.63059989 2 12.20105601 U-ECP GEN 60 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-H POTENTIAL ----- 536.51662778 2 16.41403869 1 ----- P-H POTENTIAL ----- 169.54492465 2 9.06055606 1 ----- D-H POTENTIAL ----- 142.61559837 2 8.83183198 1 ----- F-H POTENTIAL ----- 60.39307602 2 7.01851629 1 ----- G-H POTENTIAL ----- -60.12998958 2 12.80408844 NP-ECP GEN 60 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-H POTENTIAL ----- 541.53853851 2 16.77194770 1 ----- P-H POTENTIAL ----- 191.08457137 2 9.78355277 1 ----- D-H POTENTIAL ----- 146.40258923 2 9.03422660 1 ----- F-H POTENTIAL ----- 60.39433314 2 7.12184827 1 ----- G-H POTENTIAL ----- -62.62618508 2 13.41832253 PU-ECP GEN 60 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-H POTENTIAL ----- 662.75624198 2 18.55968916 1 ----- P-H POTENTIAL ----- 179.41528979 2 9.47351697 1 ----- D-H POTENTIAL ----- 139.70591217 2 9.03069065 1 ----- F-H POTENTIAL ----- 56.04590914 2 7.13879779 1 ----- G-H POTENTIAL ----- -65.12121611 2 14.04399655 AM-ECP GEN 60 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-H POTENTIAL ----- 672.42690848 2 19.13009648 1 ----- P-H POTENTIAL ----- 180.98363004 2 9.55914207 1 ----- D-H POTENTIAL ----- 139.03756389 2 9.16126617 1 ----- F-H POTENTIAL ----- 51.27355314 2 7.03575463 1 ----- G-H POTENTIAL ----- -67.61694208 2 14.68133289 CM-ECP GEN 60 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-H POTENTIAL ----- 648.91058192 2 19.25034634 1 ----- P-H POTENTIAL ----- 185.64663794 2 9.74566041 1 ----- D-H POTENTIAL ----- 137.84026176 2 9.26702314 1 ----- F-H POTENTIAL ----- 48.18099636 2 7.06371412 1 ----- G-H POTENTIAL ----- -70.11497550 2 15.33052565 BK-ECP GEN 60 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-H POTENTIAL ----- 696.47512220 2 20.28537610 1 ----- P-H POTENTIAL ----- 188.76026572 2 9.86839647 1 ----- D-H POTENTIAL ----- 124.93583585 2 8.91655740 1 ----- F-H POTENTIAL ----- 45.21650778 2 7.02500314 1 ----- G-H POTENTIAL ----- -72.61718880 2 15.99180528 CF-ECP GEN 60 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-H POTENTIAL ----- 823.74657643 2 22.27163201 1 ----- P-H POTENTIAL ----- 173.07043952 2 8.80079915 1 ----- D-H POTENTIAL ----- 125.56875116 2 9.31115746 1 ----- F-H POTENTIAL ----- 34.95259623 2 6.62957784 1 ----- G-H POTENTIAL ----- -75.12525493 2 16.66536973 ES-ECP GEN 60 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-H POTENTIAL ----- 1109.05253371 2 25.23943442 1 ----- P-H POTENTIAL ----- 175.31877724 2 8.57450440 1 ----- D-H POTENTIAL ----- 124.58681414 2 9.45460730 1 ----- F-H POTENTIAL ----- 29.55192708 2 6.27339051 1 ----- G-H POTENTIAL ----- -77.64107478 2 17.35145618 FM-ECP GEN 60 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-H POTENTIAL ----- 1201.22279983 2 26.49971356 1 ----- P-H POTENTIAL ----- 179.58021904 2 8.45509135 1 ----- D-H POTENTIAL ----- 122.51530386 2 9.52611052 1 ----- F-H POTENTIAL ----- 29.49963960 2 6.48364925 1 ----- G-H POTENTIAL ----- -80.16520155 2 18.05016051 MD-ECP GEN 60 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-H POTENTIAL ----- 1099.41031834 2 26.25702941 1 ----- P-H POTENTIAL ----- 192.25142777 2 9.14467744 1 ----- D-H POTENTIAL ----- 129.19158391 2 9.76984978 1 ----- F-H POTENTIAL ----- 34.32932133 2 6.96753140 1 ----- G-H POTENTIAL ----- -82.70015285 2 18.76179172 NO-ECP GEN 60 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-H POTENTIAL ----- 1099.41255114 2 26.78877434 1 ----- P-H POTENTIAL ----- 203.31904971 2 9.67194189 1 ----- D-H POTENTIAL ----- 127.62744557 2 9.65954537 1 ----- F-H POTENTIAL ----- 31.66186279 2 6.60473647 1 ----- G-H POTENTIAL ----- -85.24736741 2 19.48652544 LR-ECP GEN 60 5 1 ----- H POTENTIAL ----- 0.00000000 2 1.00000000 1 ----- S-H POTENTIAL ----- 4933.05020435 2 41.62309750 1 ----- P-H POTENTIAL ----- 208.55935232 2 9.66701176 1 ----- D-H POTENTIAL ----- 105.29895096 2 8.45559601 1 ----- F-H POTENTIAL ----- 36.22570362 2 7.39101231 1 ----- G-H POTENTIAL ----- -87.80798252 2 20.22453342 TZVP (DFT Orbital) 324 ! ! BASIS="TZVP (DFT Orbital)" !N. Godbout,6D. R. Salahub, J. Andzelm, and E. Wimmer, Can. J. Chem. 70, 560 ! (1992) ! HYDROGEN ! (5s,1p) -> [3s,1p] S 3 1 50.99917800 0.9660500000E-02 2 7.483218100 0.7372890000E-01 3 1.777467600 0.2958581000 S 1 1 0.5193295000 1.000000000 S 1 1 0.1541100000 1.000000000 P 1 1 0.7500000000 1.000000000 CARBON ! (10s,6p,1d) -> [4s,3p,1d] S 7 1 5784.157100 0.8190000000E-03 2 869.3035000 0.6293500000E-02 3 198.5116400 0.3178120000E-01 4 56.42990100 0.1172734000 5 18.28545700 0.3034763000 6 6.448714600 0.4535214000 7 2.341859600 0.2430591000 S 1 1 5.459532800 1.000000000 S 1 1 0.4781968000 1.000000000 S 1 1 0.1457301000 1.000000000 P 4 1 34.25856300 0.5804300000E-02 2 7.863895400 0.4064030000E-01 3 2.344519300 0.1550219000 4 0.7961715000 0.3531444000 P 1 1 0.2726804000 1.000000000 P 1 1 0.8926050000E-01 1.000000000 D 1 1 0.6000000000 1.000000000 NITROGEN ! (10s,6p,1d) -> [4s,3p,1d] S 7 1 8104.176100 0.7969000000E-03 2 1217.313800 0.6128900000E-02 3 277.7399300 0.3104710000E-01 4 78.84759800 0.1153682000 5 25.53716100 0.3025738000 6 9.004571100 0.4557913000 7 3.283527800 0.2430208000 S 1 1 7.849357300 1.000000000 S 1 1 0.6862239000 1.000000000 S 1 1 0.2035026000 1.000000000 P 4 1 49.01460800 -0.5900700000E-02 2 11.31667100 -0.4164440000E-01 3 3.403405300 -0.1610249000 4 1.161110700 -0.3583538000 P 1 1 0.3953358000 1.000000000 P 1 1 0.1268981000 1.000000000 D 1 1 0.7000000000 1.000000000 OXYGEN ! (10s,6p,1d) -> [4s,3p,1d] S 7 1 10814.40200 0.7809000000E-03 2 1623.753200 0.6010200000E-02 3 370.1827400 0.3052220000E-01 4 104.9747500 0.1140089000 5 33.98442200 0.3019574000 6 11.98431200 0.4571107000 7 4.385970400 0.2432478000 S 1 1 10.63003400 1.000000000 S 1 1 0.9398526000 1.000000000 S 1 1 0.2766213000 1.000000000 P 4 1 61.54421800 0.6623800000E-02 2 14.27619400 0.4646420000E-01 3 4.331767900 0.1744229000 4 1.476604300 0.3666115000 P 1 1 0.4959857000 1.000000000 P 1 1 0.1544836000 1.000000000 D 1 1 0.8000000000 1.000000000 FLUORINE ! (10s,6p,1d) -> [4s,3p,1d] S 7 1 13652.10100 0.7873000000E-03 2 2050.287000 0.6055000000E-02 3 467.6871200 0.3072890000E-01 4 132.7635000 0.1146453000 5 43.07638100 0.3037706000 6 15.22882800 0.4573067000 7 5.605118000 0.2395779000 S 1 1 13.84793600 1.000000000 S 1 1 1.226688600 1.000000000 S 1 1 0.3574564000 1.000000000 P 4 1 78.96175200 0.6782700000E-02 2 18.34788000 0.4789760000E-01 3 5.587188800 0.1793841000 4 1.901847400 0.3692989000 P 1 1 0.6333652000 1.000000000 P 1 1 0.1933455000 1.000000000 D 1 1 1.000000000 1.000000000 ALUMINUM ! (13s,9p,1d) -> [5s,4p,1d] S 7 1 36088.15200 0.5976000000E-03 2 5334.362000 0.4709100000E-02 3 1199.089200 0.2455380000E-01 4 334.0744700 0.9671100000E-01 5 106.1290600 0.2768191000 6 36.88280200 0.4645259000 7 13.33268800 0.2814003000 S 3 1 30.15812800 0.8777140000E-01 2 2.973277400 -0.5715000000 3 1.016381200 -0.5066880000 S 1 1 1.490761200 1.000000000 S 1 1 0.1693572000 1.000000000 S 1 1 0.6178970000E-01 1.000000000 P 6 1 286.9581500 0.3518500000E-02 2 66.16730800 0.2833550000E-01 3 20.32179500 0.1262028000 4 7.085823500 0.3283870000 5 2.522210400 0.4712921000 6 0.8630686000 0.2733518000 P 1 1 0.3761255000 1.000000000 P 1 1 0.1266286000 1.000000000 P 1 1 0.4268430000E-01 1.000000000 D 1 1 0.3000000000 1.000000000 SILICON ! (13s,9p,1d) -> [5s,4p,1d] S 7 1 42393.92700 -0.5895000000E-03 2 6264.112900 -0.4648300000E-02 3 1407.855200 -0.2424700000E-01 4 392.2039600 -0.9567860000E-01 5 124.6268800 -0.2748168000 6 43.36724800 -0.4640238000 7 15.71023700 -0.2847122000 S 3 1 35.22356900 0.9008520000E-01 2 3.551723600 -0.5764525000 3 1.252881800 -0.5002972000 S 1 1 1.945204700 1.000000000 S 1 1 0.2368547000 1.000000000 S 1 1 0.8592430000E-01 1.000000000 P 6 1 368.5214700 0.3144600000E-02 2 83.65581300 0.2624470000E-01 3 25.65768500 0.1196279000 4 8.992556400 0.3209705000 5 3.248068600 0.4750237000 6 1.138072900 0.2774066000 P 1 1 0.5284094000 1.000000000 P 1 1 0.1831337000 1.000000000 P 1 1 0.6255500000E-01 1.000000000 D 1 1 0.4500000000 1.000000000 PHOSPHORUS ! (13s,9p,1d) -> [5s,4p,1d] S 7 1 48863.35400 -0.5865000000E-03 2 7253.045700 -0.4600800000E-02 3 1632.602200 -0.2398640000E-01 4 454.9823000 -0.9478640000E-01 5 144.6226000 -0.2730769000 6 50.38272300 -0.4635665000 7 18.28669000 -0.2875813000 S 3 1 40.71252000 0.9210100000E-01 2 4.180018900 -0.5820485000 3 1.511117300 -0.4937273000 S 1 1 2.444246500 1.000000000 S 1 1 0.3116418000 1.000000000 S 1 1 0.1120119000 1.000000000 P 6 1 435.2945700 -0.3063500000E-02 2 101.3544900 -0.2486740000E-01 3 31.41165900 -0.1147112000 4 11.07597700 -0.3153050000 5 4.046180900 -0.4779211000 6 1.442381400 -0.2800161000 P 1 1 0.7002308000 1.000000000 P 1 1 0.2448107000 1.000000000 P 1 1 0.8298960000E-01 1.000000000 D 1 1 0.5500000000 1.000000000 SULFUR ! (13s,9p,1d) -> [5s,4p,1d] S 7 1 56415.58000 -0.5778000000E-03 2 8345.268900 -0.4551300000E-02 3 1876.304100 -0.2374720000E-01 4 522.7321600 -0.9398070000E-01 5 166.1749100 -0.2715021000 6 57.94542200 -0.4631538000 7 21.06674500 -0.2901939000 S 3 1 46.61931500 -0.9389010000E-01 2 4.859891000 0.5877892000 3 1.791181900 0.4873486000 S 1 1 2.976595400 1.000000000 S 1 1 0.3942261000 1.000000000 S 1 1 0.1416732000 1.000000000 P 6 1 520.4203400 -0.2930200000E-02 2 120.4299700 -0.2411010000E-01 3 37.39062400 -0.1121763000 4 13.24845000 -0.3123067000 5 4.888127700 -0.4801109000 6 1.764932000 -0.2793977000 P 1 1 0.8892067000 1.000000000 P 1 1 0.3103283000 1.000000000 P 1 1 0.1030676000 1.000000000 D 1 1 0.6500000000 1.000000000 CHLORINE ! (13s,9p,1d) -> [5s,4p,1d] S 7 1 63923.62600 -0.5741000000E-03 2 9525.987000 -0.4485100000E-02 3 2146.311600 -0.2339370000E-01 4 598.0274100 -0.9280490000E-01 5 190.0285500 -0.2693196000 6 66.26196300 -0.4629613000 7 24.09660800 -0.2937123000 S 3 1 52.93325300 0.9547700000E-01 2 5.592308000 -0.5930161000 3 2.093956000 -0.4816896000 S 1 1 3.557685900 1.000000000 S 1 1 0.4847469000 1.000000000 S 1 1 0.1733046000 1.000000000 P 6 1 583.2011500 -0.3051100000E-02 2 135.4472500 -0.2491210000E-01 3 42.33562500 -0.1147106000 4 15.15427000 -0.3147476000 5 5.683067700 -0.4781012000 6 2.090239000 -0.2717695000 P 1 1 1.097997000 1.000000000 P 1 1 0.3822761000 1.000000000 P 1 1 0.1249985000 1.000000000 D 1 1 0.7500000000 1.000000000 ARGON ! (13s,9p,1d) -> [5s,4p,1d] S 7 1 71235.46300 -0.5786000000E-03 2 10643.43300 -0.4504400000E-02 3 2402.544800 -0.2344520000E-01 4 670.3890600 -0.9286030000E-01 5 213.3600100 -0.2691955000 6 74.55808800 -0.4623268000 7 27.19964100 -0.2939969000 S 3 1 59.69619800 0.9685500000E-01 2 6.370354300 -0.5988462000 3 2.416064600 -0.4755397000 S 1 1 4.186504700 1.000000000 S 1 1 0.5830501000 1.000000000 S 1 1 0.2070069000 1.000000000 P 6 1 699.4256400 0.2776900000E-02 2 163.5830400 0.2270690000E-01 3 51.14601600 0.1073837000 4 18.25605800 0.3060700000 5 6.841505600 0.4829578000 6 2.518254600 0.2816344000 P 1 1 1.325635200 1.000000000 P 1 1 0.4621947000 1.000000000 P 1 1 0.1503712000 1.000000000 D 1 1 0.8500000000 1.000000000