MOLPRO Basis Query, element=Yb, basis=cc-pwCVQZ-X2C, l=p
Basis Yb p cc-pwCVQZ-X2C
| Primitives | Contractions... |
|---|
| 49178920.000000 | 0.000004 | -0.000003 | 0.000001 | -0.000000 | 0.000000 | 0.000001 | -0.000001 | -0.000001 | 0.000001 | 0.000000 | 0.000000 | 0.000000 |
| 12838090.000000 | 0.000007 | -0.000006 | 0.000002 | -0.000001 | 0.000000 | 0.000001 | -0.000001 | -0.000002 | 0.000002 | 0.000000 | 0.000000 | 0.000000 |
| 3768885.000000 | 0.000021 | -0.000017 | 0.000005 | -0.000002 | 0.000000 | 0.000002 | -0.000004 | -0.000006 | 0.000006 | 0.000000 | 0.000000 | 0.000000 |
| 1212364.000000 | 0.000047 | -0.000039 | 0.000011 | -0.000005 | 0.000001 | 0.000005 | -0.000008 | -0.000012 | 0.000012 | 0.000000 | 0.000000 | 0.000000 |
| 419038.500000 | 0.000116 | -0.000097 | 0.000028 | -0.000012 | 0.000002 | 0.000012 | -0.000019 | -0.000028 | 0.000029 | 0.000000 | 0.000000 | 0.000000 |
| 153895.300000 | 0.000277 | -0.000232 | 0.000067 | -0.000029 | 0.000006 | 0.000028 | -0.000043 | -0.000064 | 0.000066 | 0.000000 | 0.000000 | 0.000000 |
| 59678.890000 | 0.000686 | -0.000575 | 0.000167 | -0.000073 | 0.000015 | 0.000068 | -0.000104 | -0.000155 | 0.000157 | 0.000000 | 0.000000 | 0.000000 |
| 24375.570000 | 0.001723 | -0.001449 | 0.000421 | -0.000183 | 0.000037 | 0.000166 | -0.000252 | -0.000372 | 0.000388 | 0.000000 | 0.000000 | 0.000000 |
| 10482.180000 | 0.004411 | -0.003724 | 0.001085 | -0.000473 | 0.000095 | 0.000416 | -0.000637 | -0.000957 | 0.000964 | 0.000000 | 0.000000 | 0.000000 |
| 4741.627000 | 0.011279 | -0.009589 | 0.002807 | -0.001223 | 0.000244 | 0.001059 | -0.001606 | -0.002364 | 0.002493 | 0.000000 | 0.000000 | 0.000000 |
| 2248.965000 | 0.028141 | -0.024197 | 0.007139 | -0.003110 | 0.000622 | 0.002674 | -0.004095 | -0.006182 | 0.006187 | 0.000000 | 0.000000 | 0.000000 |
| 1112.879000 | 0.065717 | -0.057651 | 0.017246 | -0.007507 | 0.001501 | 0.006439 | -0.009762 | -0.014324 | 0.015258 | 0.000000 | 0.000000 | 0.000000 |
| 571.147900 | 0.135260 | -0.122304 | 0.037337 | -0.016254 | 0.003251 | 0.013961 | -0.021456 | -0.032634 | 0.032382 | 0.000000 | 0.000000 | 0.000000 |
| 301.896200 | 0.226086 | -0.213144 | 0.066934 | -0.029108 | 0.005824 | 0.024994 | -0.037793 | -0.055039 | 0.060178 | 0.000000 | 0.000000 | 0.000000 |
| 163.528400 | 0.272990 | -0.261714 | 0.083058 | -0.036148 | 0.007234 | 0.031139 | -0.048458 | -0.075937 | 0.070931 | 0.000000 | 0.000000 | 0.000000 |
| 89.989000 | 0.211658 | -0.120499 | 0.017898 | -0.007670 | 0.001504 | 0.006290 | -0.007194 | -0.001053 | 0.014533 | 0.000000 | 0.000000 | 0.000000 |
| 49.994860 | 0.129424 | 0.230456 | -0.166892 | 0.073242 | -0.014805 | -0.064868 | 0.097504 | 0.132278 | -0.169379 | 0.000000 | 0.000000 | 0.000000 |
| 28.390280 | 0.114452 | 0.484524 | -0.354306 | 0.159141 | -0.032330 | -0.143075 | 0.238637 | 0.438212 | -0.472434 | 0.000000 | 0.000000 | 0.000000 |
| 16.294040 | 0.072581 | 0.325058 | -0.180011 | 0.072392 | -0.014329 | -0.060789 | 0.077068 | 0.047544 | -0.148577 | 1.000000 | 0.000000 | 0.000000 |
| 9.297360 | 0.016577 | 0.066372 | 0.306180 | -0.167427 | 0.035466 | 0.179807 | -0.338793 | -0.757933 | 1.739360 | 0.000000 | 1.000000 | 0.000000 |
| 5.207446 | -0.000722 | -0.018680 | 0.545168 | -0.318582 | 0.068633 | 0.315276 | -0.578808 | -1.133710 | 0.053287 | 0.000000 | 0.000000 | 0.000000 |
| 2.892272 | -0.001195 | -0.013699 | 0.310455 | -0.183946 | 0.039543 | 0.172492 | 0.069612 | 2.130930 | -4.043230 | 0.000000 | 0.000000 | 0.000000 |
| 1.559133 | -0.000230 | -0.002961 | 0.067896 | 0.185937 | -0.050421 | -0.575004 | 1.273380 | 0.606185 | 4.600470 | 0.000000 | 0.000000 | 0.000000 |
| 0.828576 | -0.000056 | -0.000504 | 0.020512 | 0.452336 | -0.123087 | -0.486638 | 0.010381 | -2.427440 | -0.866550 | 0.000000 | 0.000000 | 0.000000 |
| 0.441191 | -0.000021 | -0.000393 | 0.015856 | 0.395854 | -0.141154 | 0.126601 | -1.030820 | 0.501615 | -2.634080 | 0.000000 | 0.000000 | 0.000000 |
| 0.233469 | -0.000014 | -0.000115 | 0.005812 | 0.156362 | -0.061586 | 0.376403 | -0.372996 | 1.280280 | 2.186530 | 0.000000 | 0.000000 | 0.000000 |
| 0.113374 | 0.000001 | -0.000025 | 0.000862 | 0.021514 | 0.195570 | 0.462487 | 0.651892 | -0.326589 | 0.297894 | 0.000000 | 0.000000 | 0.000000 |
| 0.055906 | -0.000001 | 0.000004 | 0.000008 | 0.001293 | 0.475554 | 0.175826 | 0.373372 | -0.523369 | -0.874476 | 0.000000 | 0.000000 | 0.000000 |
| 0.027552 | 0.000000 | -0.000002 | 0.000034 | 0.000535 | 0.397576 | 0.020421 | 0.029542 | -0.011080 | -0.005067 | 0.000000 | 0.000000 | 0.000000 |
| 0.013444 | -0.000000 | 0.000001 | -0.000007 | -0.000072 | 0.081643 | -0.000208 | 0.002553 | -0.010582 | -0.021984 | 0.000000 | 0.000000 | 1.000000 |
Comment: Q. Lu and K.A. Peterson, J. Chem. Phys. 145, 054111 (2016)
| 