MOLPRO Basis Query, element=Au, basis=CVQZ-PP-F12, l=s
Basis Au s CVQZ-PP-F12
Primitives | Contractions... |
2324.040000 | 0.000003 | -0.000001 | -0.000039 | -0.000076 | 0.000314 | 0.008673 | 0.000000 | 0.000000 | 0.000000 |
917.020000 | 0.000007 | -0.000002 | 0.000072 | 0.000145 | -0.000618 | -0.018208 | 0.000000 | 0.000000 | 0.000000 |
99.309100 | 0.000734 | -0.000258 | -0.002270 | -0.003904 | 0.012667 | 0.490474 | 0.000000 | 0.000000 | 0.000000 |
61.757600 | -0.005878 | 0.001986 | 0.010818 | 0.017040 | -0.049165 | -2.100719 | 0.000000 | 0.000000 | 0.000000 |
38.372200 | 0.038585 | -0.012944 | -0.038701 | -0.053264 | 0.112416 | 4.752877 | 0.000000 | 0.000000 | 0.000000 |
23.962900 | -0.186518 | 0.063963 | 0.140747 | 0.181090 | -0.262626 | -7.307416 | 0.000000 | 0.000000 | 0.000000 |
14.851800 | 0.446147 | -0.158402 | -0.322397 | -0.412109 | 0.509423 | 7.946137 | 0.000000 | 0.000000 | 0.000000 |
7.974800 | -0.276723 | 0.111538 | 0.219057 | 0.218380 | -0.089569 | -7.473796 | 0.000000 | 0.000000 | 0.000000 |
4.797900 | -0.668985 | 0.243318 | 0.533227 | 0.969523 | -1.901254 | 3.071346 | 0.000000 | 0.000000 | 0.000000 |
1.762450 | 0.513341 | -0.255784 | -0.659597 | -2.010595 | 7.632193 | 12.023583 | 0.000000 | 0.000000 | 0.000000 |
1.092730 | 0.592901 | -0.301493 | -1.129852 | -1.686566 | -6.664181 | -24.469363 | 0.000000 | 0.000000 | 0.000000 |
0.630558 | 0.292254 | -0.243569 | 0.243327 | 4.109543 | -2.747422 | 19.134858 | 0.000000 | 0.000000 | 0.000000 |
0.322050 | 0.036802 | 0.091991 | 1.593656 | -0.100819 | 6.149002 | -6.063465 | 0.000000 | 0.000000 | 0.000000 |
0.150028 | 0.001827 | 0.468612 | 0.315123 | -2.418030 | -2.409499 | -2.317168 | 0.000000 | 0.000000 | 0.000000 |
0.070759 | 0.001739 | 0.518993 | -0.828120 | 0.432613 | -1.617240 | 4.487304 | 0.000000 | 0.000000 | 0.000000 |
0.033387 | 0.000347 | 0.158735 | -0.379428 | 0.912136 | 1.664050 | -2.205283 | 1.000000 | 0.000000 | 0.000000 |
0.015800 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
2.724750 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and R.A. Shaw, JCP 155 174113 (2021)