MOLPRO Basis Query, element=Yb, basis=cc-pwCVQZ-DK3, l=p
Basis Yb p cc-pwCVQZ-DK3
| Primitives | Contractions... |
|---|
| 49178920.000000 | 0.000006 | -0.000005 | 0.000001 | -0.000001 | 0.000000 | 0.000001 | -0.000001 | -0.000001 | 0.000001 | 0.000000 | 0.000000 | 0.000000 |
| 12838090.000000 | 0.000010 | -0.000008 | 0.000002 | -0.000001 | 0.000000 | 0.000001 | -0.000001 | -0.000002 | 0.000002 | 0.000000 | 0.000000 | 0.000000 |
| 3768885.000000 | 0.000027 | -0.000023 | 0.000007 | -0.000003 | 0.000001 | 0.000002 | -0.000004 | -0.000006 | 0.000006 | 0.000000 | 0.000000 | 0.000000 |
| 1212364.000000 | 0.000059 | -0.000049 | 0.000014 | -0.000006 | 0.000001 | 0.000005 | -0.000008 | -0.000012 | 0.000012 | 0.000000 | 0.000000 | 0.000000 |
| 419038.500000 | 0.000138 | -0.000115 | 0.000033 | -0.000014 | 0.000003 | 0.000012 | -0.000019 | -0.000028 | 0.000029 | 0.000000 | 0.000000 | 0.000000 |
| 153895.300000 | 0.000315 | -0.000263 | 0.000076 | -0.000033 | 0.000007 | 0.000028 | -0.000043 | -0.000064 | 0.000066 | 0.000000 | 0.000000 | 0.000000 |
| 59678.890000 | 0.000749 | -0.000627 | 0.000182 | -0.000079 | 0.000016 | 0.000068 | -0.000104 | -0.000155 | 0.000157 | 0.000000 | 0.000000 | 0.000000 |
| 24375.570000 | 0.001820 | -0.001528 | 0.000443 | -0.000193 | 0.000040 | 0.000166 | -0.000252 | -0.000372 | 0.000388 | 0.000000 | 0.000000 | 0.000000 |
| 10482.180000 | 0.004537 | -0.003827 | 0.001114 | -0.000485 | 0.000100 | 0.000416 | -0.000637 | -0.000957 | 0.000964 | 0.000000 | 0.000000 | 0.000000 |
| 4741.627000 | 0.011399 | -0.009686 | 0.002834 | -0.001235 | 0.000253 | 0.001059 | -0.001606 | -0.002364 | 0.002493 | 0.000000 | 0.000000 | 0.000000 |
| 2248.965000 | 0.028202 | -0.024244 | 0.007151 | -0.003115 | 0.000639 | 0.002674 | -0.004095 | -0.006182 | 0.006187 | 0.000000 | 0.000000 | 0.000000 |
| 1112.879000 | 0.065704 | -0.057637 | 0.017239 | -0.007504 | 0.001539 | 0.006439 | -0.009762 | -0.014324 | 0.015258 | 0.000000 | 0.000000 | 0.000000 |
| 571.147900 | 0.135210 | -0.122262 | 0.037321 | -0.016247 | 0.003332 | 0.013962 | -0.021456 | -0.032634 | 0.032381 | 0.000000 | 0.000000 | 0.000000 |
| 301.896200 | 0.226038 | -0.213112 | 0.066920 | -0.029102 | 0.005971 | 0.024996 | -0.037792 | -0.055039 | 0.060179 | 0.000000 | 0.000000 | 0.000000 |
| 163.528400 | 0.272970 | -0.261720 | 0.083057 | -0.036148 | 0.007419 | 0.031141 | -0.048457 | -0.075937 | 0.070929 | 0.000000 | 0.000000 | 0.000000 |
| 89.989000 | 0.211665 | -0.120543 | 0.017915 | -0.007677 | 0.001544 | 0.006291 | -0.007194 | -0.001054 | 0.014538 | 0.000000 | 0.000000 | 0.000000 |
| 49.994860 | 0.129439 | 0.230407 | -0.166866 | 0.073230 | -0.015175 | -0.064872 | 0.097502 | 0.132284 | -0.169390 | 0.000000 | 0.000000 | 0.000000 |
| 28.390280 | 0.114472 | 0.484517 | -0.354305 | 0.159139 | -0.033161 | -0.143084 | 0.238631 | 0.438207 | -0.472410 | 0.000000 | 0.000000 | 0.000000 |
| 16.294040 | 0.072601 | 0.325086 | -0.180052 | 0.072413 | -0.014748 | -0.060793 | 0.077064 | 0.047536 | -0.148593 | 1.000000 | 0.000000 | 0.000000 |
| 9.297360 | 0.016584 | 0.066390 | 0.306137 | -0.167402 | 0.036418 | 0.179820 | -0.338779 | -0.757912 | 1.739340 | 0.000000 | 1.000000 | 0.000000 |
| 5.207446 | -0.000721 | -0.018678 | 0.545169 | -0.318576 | 0.070638 | 0.315307 | -0.578806 | -1.133730 | 0.053346 | 0.000000 | 0.000000 | 0.000000 |
| 2.892272 | -0.001196 | -0.013700 | 0.310488 | -0.183976 | 0.040417 | 0.172475 | 0.069624 | 2.130930 | -4.043310 | 0.000000 | 0.000000 | 0.000000 |
| 1.559133 | -0.000230 | -0.002962 | 0.067909 | 0.185896 | -0.052573 | -0.575039 | 1.273360 | 0.606202 | 4.600550 | 0.000000 | 0.000000 | 0.000000 |
| 0.828576 | -0.000056 | -0.000504 | 0.020514 | 0.452320 | -0.126682 | -0.486644 | 0.010355 | -2.427480 | -0.866600 | 0.000000 | 0.000000 | 0.000000 |
| 0.441191 | -0.000021 | -0.000393 | 0.015858 | 0.395871 | -0.143054 | 0.126630 | -1.030820 | 0.501646 | -2.634080 | 0.000000 | 0.000000 | 0.000000 |
| 0.233469 | -0.000014 | -0.000115 | 0.005814 | 0.156391 | -0.058543 | 0.376434 | -0.372975 | 1.280280 | 2.186580 | 0.000000 | 0.000000 | 0.000000 |
| 0.113374 | 0.000001 | -0.000025 | 0.000862 | 0.021523 | 0.201916 | 0.462461 | 0.651919 | -0.326617 | 0.297848 | 0.000000 | 0.000000 | 0.000000 |
| 0.055906 | -0.000001 | 0.000004 | 0.000008 | 0.001293 | 0.477868 | 0.175804 | 0.373371 | -0.523355 | -0.874462 | 0.000000 | 0.000000 | 0.000000 |
| 0.027552 | 0.000000 | -0.000002 | 0.000034 | 0.000535 | 0.391596 | 0.020420 | 0.029542 | -0.011080 | -0.005066 | 0.000000 | 0.000000 | 0.000000 |
| 0.013444 | -0.000000 | 0.000001 | -0.000007 | -0.000072 | 0.078477 | -0.000208 | 0.002553 | -0.010582 | -0.021983 | 0.000000 | 0.000000 | 1.000000 |
Comment: Q. Lu and K.A. Peterson, J. Chem. Phys. 145, 054111 (2016)
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