MOLPRO Basis Query, element=La, basis=cc-pVTZ-DK3, l=d
Basis La d cc-pVTZ-DK3
Primitives | Contractions... |
8538.153000 | 0.000077 | -0.000034 | 0.000009 | 0.000014 | -0.000012 | -0.000003 | 0.000000 |
2254.109000 | 0.000617 | -0.000272 | 0.000070 | 0.000112 | -0.000163 | -0.000248 | 0.000000 |
815.946900 | 0.003604 | -0.001588 | 0.000412 | 0.000681 | -0.000562 | -0.000136 | 0.000000 |
346.547000 | 0.016203 | -0.007210 | 0.001870 | 0.002989 | -0.004169 | -0.006013 | 0.000000 |
161.947100 | 0.055598 | -0.024921 | 0.006479 | 0.010671 | -0.009074 | -0.002966 | 0.000000 |
80.444700 | 0.145397 | -0.066570 | 0.017319 | 0.027543 | -0.039159 | -0.057972 | 0.000000 |
41.613000 | 0.274646 | -0.124653 | 0.032466 | 0.054408 | -0.040274 | 0.003893 | 0.000000 |
21.982000 | 0.358641 | -0.155004 | 0.040031 | 0.063550 | -0.125656 | -0.248248 | 0.000000 |
11.770610 | 0.273536 | -0.047565 | 0.008974 | 0.026700 | 0.063403 | 0.269507 | 0.000000 |
6.226182 | 0.092489 | 0.243414 | -0.075667 | -0.143506 | 0.005421 | -0.344383 | 0.000000 |
3.209100 | 0.005313 | 0.458553 | -0.138225 | -0.219860 | 0.671204 | 1.685350 | 0.000000 |
1.623258 | -0.002946 | 0.347780 | -0.089343 | -0.301117 | -0.310191 | -2.559530 | 0.000000 |
0.779607 | -0.001061 | 0.100880 | 0.161331 | 0.901020 | -1.265460 | 1.421850 | 0.000000 |
0.328515 | -0.000036 | 0.006114 | 0.448953 | 0.295896 | 1.573260 | 0.213432 | 0.000000 |
0.129663 | -0.000015 | 0.000247 | 0.457631 | -0.678529 | -0.408760 | -1.151030 | 0.000000 |
0.047899 | 0.000004 | 0.000014 | 0.167505 | -0.248169 | -0.459860 | 1.028010 | 1.000000 |
Comment: Q. Lu and K.A. Peterson, J. Chem. Phys 145, 054111 (2016)
|