! modified LANL2DZ EMSL Basis Set Exchange Library 2/22/19 4:17 PM ! Elements References ! -------- ---------- ! Sc Ti V Cr Mn Fe Co Ni Cu Y Zr Nb Mo Tc Ru Rh Pd Ag La Hf Ta W Re Os Ir Pt Au: Marc Couty; Michael B. Hall, Basis Sets for Transition Metals: Optimized Outer p Functions, Journal of Computational Chemistry 17, 1359 (1996). ! **** Pt 0 S 3 1.00 0.2547000000E+01 -0.1473918000E+01 0.1614000000E+01 0.1911572000E+01 0.5167000000E+00 0.3922319000E+00 S 4 1.00 0.2547000000E+01 0.1438817000E+01 0.1614000000E+01 -0.2091182000E+01 0.5167000000E+00 -0.1092132000E+01 0.2651000000E+00 0.1342660000E+01 S 1 1.00 0.5800000000E-01 1.0000000 P 3 1.00 0.2911000000E+01 -0.5247438000E+00 0.1836000000E+01 0.9671884000E+00 0.5982000000E+00 0.5438632000E+00 P 4 1.00 0.2911000000E+01 0.1702966400E+00 0.1836000000E+01 -0.3510369500E+00 0.5982000000E+00 -0.1010735800E+00 0.9960000000E-01 0.7803291700E+00 P 1 1.00 0.2900000000E-01 1.0000000 D 2 1.00 0.1243000000E+01 0.5598150000E+00 0.4271000000E+00 0.5511090000E+00 D 1 1.00 0.1370000000E+00 1.0000000 **** ! Elements References ! -------- ---------- ! Na - Hg: P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 270 (1985). ! P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 284 (1985). ! P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 299 (1985). ! PT 0 PT-ECP 4 60 g-ul potential 5 1 728.9394056 -0.1619268 2 320.6567800 -1320.2873852 2 52.8680174 -298.3178135 2 12.0280128 -87.5837065 2 3.5238913 -8.1493274 s-ul potential 6 0 409.4437358 2.7334218 1 274.5419231 59.7024329 2 127.5658570 891.4589550 2 32.9036631 368.4467656 2 5.0593880 238.0263090 2 4.1506556 -107.0556454 p-ul potential 4 0 466.1728892 1.8878568 1 120.7888259 76.0138629 2 36.4118791 343.5511116 2 5.6985408 119.4911786 d-ul potential 5 0 249.5650763 2.9343678 1 126.6678585 59.3306571 2 63.1430586 452.4445194 2 17.9059470 210.4769479 2 4.2239373 58.6254112 f-ul potential 5 0 121.8158799 3.9534253 1 60.8757030 53.8555182 2 31.4767147 247.4305133 2 9.8811751 127.8187976 2 2.7319874 15.3772046