MOLPRO Basis Query, element=Bk, basis=cc-pwCVDZ-DK3, l=d
Basis Bk d cc-pwCVDZ-DK3
Primitives | Contractions... |
40680.543000 | 0.000127 | -0.000050 | 0.000031 | 0.000008 | -0.000015 | 0.000000 | 0.000000 |
9797.379200 | 0.000855 | -0.000338 | 0.000208 | 0.000055 | -0.000100 | 0.000000 | 0.000000 |
3269.100800 | 0.004506 | -0.001798 | 0.001108 | 0.000292 | -0.000560 | 0.000000 | 0.000000 |
1303.634700 | 0.019554 | -0.007873 | 0.004833 | 0.001271 | -0.002311 | 0.000000 | 0.000000 |
581.197590 | 0.068366 | -0.028026 | 0.017240 | 0.004554 | -0.008735 | 0.000000 | 0.000000 |
279.167510 | 0.183840 | -0.077004 | 0.047119 | 0.012396 | -0.022424 | 0.000000 | 0.000000 |
140.871720 | 0.346259 | -0.143791 | 0.088537 | 0.023439 | -0.045917 | 0.000000 | 0.000000 |
73.547280 | 0.397699 | -0.132517 | 0.080557 | 0.020799 | -0.033854 | 0.000000 | 0.000000 |
38.943134 | 0.199811 | 0.123704 | -0.075568 | -0.020887 | 0.028305 | 0.000000 | 0.000000 |
20.470681 | -0.021780 | 0.465874 | -0.292581 | -0.081715 | 0.179433 | 0.000000 | 0.000000 |
10.839667 | -0.061621 | 0.433740 | -0.219824 | -0.055193 | 0.058960 | 0.000000 | 0.000000 |
5.602607 | -0.017956 | 0.125181 | 0.301579 | 0.101824 | -0.122406 | 1.000000 | 0.000000 |
2.829626 | -0.000604 | 0.003897 | 0.572893 | 0.205212 | -0.606812 | 0.000000 | 0.000000 |
1.347365 | 0.000137 | -0.000401 | 0.296452 | 0.003313 | 0.423383 | 0.000000 | 0.000000 |
0.533256 | 0.000043 | -0.000354 | 0.036330 | -0.377267 | 0.845123 | 0.000000 | 0.000000 |
0.197070 | -0.000009 | 0.000088 | -0.001480 | -0.535323 | -0.553554 | 0.000000 | 0.000000 |
0.065718 | 0.000002 | -0.000026 | 0.000603 | -0.293036 | -0.426344 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
|