MOLPRO Basis Query, element=Md, basis=cc-pwCVTZ-X2C, l=p
Basis Md p cc-pwCVTZ-X2C
| Primitives | Contractions... |
|---|
| 57918575.000000 | 0.000021 | -0.000027 | 0.000001 | -0.000004 | 0.000002 | -0.000000 | -0.000001 | 0.000002 | -0.000003 | 0.000000 | 0.000000 | 0.000000 |
| 18383119.000000 | 0.000021 | -0.000028 | 0.000001 | -0.000004 | 0.000002 | -0.000000 | -0.000001 | 0.000002 | -0.000003 | 0.000000 | 0.000000 | 0.000000 |
| 6157003.900000 | 0.000073 | -0.000094 | 0.000004 | -0.000014 | 0.000006 | -0.000001 | -0.000005 | 0.000008 | -0.000011 | 0.000000 | 0.000000 | 0.000000 |
| 2186145.500000 | 0.000135 | -0.000174 | 0.000007 | -0.000026 | 0.000011 | -0.000002 | -0.000009 | 0.000014 | -0.000020 | 0.000000 | 0.000000 | 0.000000 |
| 813053.720000 | 0.000315 | -0.000408 | 0.000016 | -0.000061 | 0.000027 | -0.000005 | -0.000022 | 0.000033 | -0.000047 | 0.000000 | 0.000000 | 0.000000 |
| 314601.040000 | 0.000659 | -0.000856 | 0.000034 | -0.000128 | 0.000056 | -0.000011 | -0.000046 | 0.000069 | -0.000098 | 0.000000 | 0.000000 | 0.000000 |
| 126099.000000 | 0.001468 | -0.001912 | 0.000076 | -0.000286 | 0.000125 | -0.000025 | -0.000104 | 0.000155 | -0.000222 | 0.000000 | 0.000000 | 0.000000 |
| 52254.130000 | 0.003239 | -0.004237 | 0.000173 | -0.000637 | 0.000279 | -0.000056 | -0.000230 | 0.000342 | -0.000485 | 0.000000 | 0.000000 | 0.000000 |
| 22384.622000 | 0.007365 | -0.009696 | 0.000408 | -0.001464 | 0.000641 | -0.000129 | -0.000529 | 0.000793 | -0.001140 | 0.000000 | 0.000000 | 0.000000 |
| 9928.218000 | 0.016810 | -0.022346 | 0.000988 | -0.003399 | 0.001488 | -0.000300 | -0.001226 | 0.001824 | -0.002573 | 0.000000 | 0.000000 | 0.000000 |
| 4567.507700 | 0.038014 | -0.051319 | 0.002437 | -0.007894 | 0.003457 | -0.000696 | -0.002858 | 0.004288 | -0.006190 | 0.000000 | 0.000000 | 0.000000 |
| 2180.700300 | 0.080883 | -0.111830 | 0.005892 | -0.017521 | 0.007667 | -0.001544 | -0.006313 | 0.009376 | -0.013168 | 0.000000 | 0.000000 | 0.000000 |
| 1077.928200 | 0.151025 | -0.215935 | 0.012898 | -0.034641 | 0.015169 | -0.003055 | -0.012562 | 0.018917 | -0.027569 | 0.000000 | 0.000000 | 0.000000 |
| 549.444210 | 0.220172 | -0.324225 | 0.021489 | -0.053208 | 0.023269 | -0.004687 | -0.019106 | 0.028174 | -0.038767 | 0.000000 | 0.000000 | 0.000000 |
| 288.512880 | 0.221272 | -0.269823 | 0.003778 | -0.036220 | 0.015885 | -0.003196 | -0.013355 | 0.020853 | -0.033176 | 0.000000 | 0.000000 | 0.000000 |
| 155.328580 | 0.183017 | 0.096811 | -0.100750 | 0.069817 | -0.030832 | 0.006235 | 0.026401 | -0.042210 | 0.070051 | 0.000000 | 0.000000 | 0.000000 |
| 85.647871 | 0.203117 | 0.532096 | -0.287238 | 0.238529 | -0.105164 | 0.021272 | 0.086603 | -0.126918 | 0.171091 | 0.000000 | 0.000000 | 0.000000 |
| 47.865001 | 0.158759 | 0.454962 | -0.197613 | 0.162639 | -0.071293 | 0.014383 | 0.061551 | -0.101083 | 0.178141 | 0.000000 | 0.000000 | 0.000000 |
| 26.549809 | 0.042537 | 0.012655 | 0.343116 | -0.281749 | 0.135031 | -0.027723 | -0.124249 | 0.221712 | -0.449266 | 0.000000 | 0.000000 | 0.000000 |
| 14.967481 | -0.001927 | -0.182733 | 0.630038 | -0.634049 | 0.310789 | -0.064064 | -0.257541 | 0.355489 | -0.368392 | 0.000000 | 0.000000 | 0.000000 |
| 8.388772 | -0.001451 | -0.075492 | 0.259820 | -0.035354 | -0.017686 | 0.004746 | 0.012631 | 0.020476 | -0.220870 | 1.000000 | 0.000000 | 0.000000 |
| 4.592810 | -0.000055 | -0.003321 | 0.021261 | 0.686984 | -0.473250 | 0.102865 | 0.497316 | -1.041090 | 2.798330 | 0.000000 | 0.000000 | 0.000000 |
| 2.445349 | 0.000220 | 0.003120 | -0.001522 | 0.471127 | -0.314900 | 0.068663 | 0.282328 | -0.039381 | -2.979040 | 0.000000 | 0.000000 | 0.000000 |
| 1.202292 | 0.000009 | 0.000454 | -0.000516 | 0.084376 | 0.298304 | -0.078643 | -0.776211 | 1.796960 | -0.261539 | 0.000000 | 0.000000 | 0.000000 |
| 0.591696 | 0.000014 | 0.000094 | 0.000059 | 0.016565 | 0.585684 | -0.168569 | -0.421320 | -0.783411 | 2.868520 | 0.000000 | 0.000000 | 0.000000 |
| 0.281659 | -0.000003 | 0.000012 | -0.000019 | 0.010089 | 0.329216 | -0.146734 | 0.440371 | -1.068940 | -2.321280 | 0.000000 | 0.000000 | 0.000000 |
| 0.112882 | 0.000002 | 0.000008 | 0.000016 | 0.000853 | 0.044995 | 0.173579 | 0.620828 | 0.749289 | 0.262088 | 0.000000 | 0.000000 | 0.000000 |
| 0.047725 | -0.000001 | -0.000003 | -0.000005 | 0.000093 | -0.001539 | 0.603068 | 0.155483 | 0.375598 | 0.579210 | 0.000000 | 0.000000 | 0.000000 |
| 0.019634 | 0.000000 | 0.000001 | 0.000002 | -0.000016 | 0.001004 | 0.373620 | 0.003860 | -0.007974 | -0.027856 | 0.000000 | 1.000000 | 0.000000 |
| 5.409693 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
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