MOLPRO Basis Query, element=Bk, basis=cc-pwCVTZ-DK3, l=s
Basis Bk s cc-pwCVTZ-DK3
| Primitives | Contractions... |
|---|
| 55942532.000000 | -0.001153 | 0.002736 | -0.001097 | -0.000152 | 0.000161 | -0.000073 | 0.000029 | 0.000063 | -0.000080 | -0.000105 | 0.000000 | 0.000000 | 0.000000 |
| 14887732.000000 | -0.000973 | 0.002310 | -0.000925 | -0.000128 | 0.000135 | -0.000062 | 0.000025 | 0.000053 | -0.000068 | -0.000088 | 0.000000 | 0.000000 | 0.000000 |
| 5086406.200000 | -0.002819 | 0.006685 | -0.002684 | -0.000372 | 0.000393 | -0.000179 | 0.000072 | 0.000153 | -0.000196 | -0.000256 | 0.000000 | 0.000000 | 0.000000 |
| 1929831.100000 | -0.003384 | 0.008008 | -0.003223 | -0.000448 | 0.000472 | -0.000215 | 0.000086 | 0.000184 | -0.000236 | -0.000308 | 0.000000 | 0.000000 | 0.000000 |
| 803442.520000 | -0.006673 | 0.015728 | -0.006365 | -0.000886 | 0.000933 | -0.000425 | 0.000171 | 0.000364 | -0.000466 | -0.000609 | 0.000000 | 0.000000 | 0.000000 |
| 354804.710000 | -0.008897 | 0.020840 | -0.008507 | -0.001187 | 0.001249 | -0.000569 | 0.000228 | 0.000488 | -0.000623 | -0.000815 | 0.000000 | 0.000000 | 0.000000 |
| 165341.720000 | -0.015127 | 0.035136 | -0.014510 | -0.002032 | 0.002135 | -0.000972 | 0.000390 | 0.000832 | -0.001065 | -0.001393 | 0.000000 | 0.000000 | 0.000000 |
| 80213.318000 | -0.020897 | 0.047871 | -0.020148 | -0.002837 | 0.002973 | -0.001354 | 0.000544 | 0.001162 | -0.001484 | -0.001941 | 0.000000 | 0.000000 | 0.000000 |
| 40357.035000 | -0.033007 | 0.074326 | -0.032028 | -0.004543 | 0.004747 | -0.002161 | 0.000868 | 0.001847 | -0.002370 | -0.003097 | 0.000000 | 0.000000 | 0.000000 |
| 20897.859000 | -0.045912 | 0.100577 | -0.045000 | -0.006452 | 0.006710 | -0.003055 | 0.001227 | 0.002632 | -0.003348 | -0.004385 | 0.000000 | 0.000000 | 0.000000 |
| 11083.696000 | -0.068233 | 0.144404 | -0.067739 | -0.009860 | 0.010190 | -0.004640 | 0.001863 | 0.003946 | -0.005092 | -0.006647 | 0.000000 | 0.000000 | 0.000000 |
| 5985.914000 | -0.090062 | 0.180830 | -0.091111 | -0.013528 | 0.013864 | -0.006313 | 0.002538 | 0.005483 | -0.006916 | -0.009081 | 0.000000 | 0.000000 | 0.000000 |
| 3280.265600 | -0.112619 | 0.213789 | -0.116293 | -0.017696 | 0.017954 | -0.008176 | 0.003279 | 0.006859 | -0.008990 | -0.011689 | 0.000000 | 0.000000 | 0.000000 |
| 1818.275800 | -0.101811 | 0.190638 | -0.105059 | -0.015865 | 0.016143 | -0.007351 | 0.002964 | 0.006624 | -0.008026 | -0.010663 | 0.000000 | 0.000000 | 0.000000 |
| 1017.224800 | -0.030554 | 0.126130 | -0.010620 | 0.002658 | -0.000911 | 0.000429 | -0.000199 | -0.001049 | 0.000436 | 0.000980 | 0.000000 | 0.000000 | 0.000000 |
| 571.256660 | 0.124546 | 0.050138 | 0.242969 | 0.063233 | -0.053321 | 0.024390 | -0.009752 | -0.019608 | 0.027133 | 0.035036 | 0.000000 | 0.000000 | 0.000000 |
| 326.150910 | 0.237010 | 0.037363 | 0.554501 | 0.164533 | -0.134307 | 0.061590 | -0.024895 | -0.056042 | 0.068039 | 0.091656 | 0.000000 | 0.000000 | 0.000000 |
| 187.948010 | 0.187292 | 0.024203 | 0.566247 | 0.194858 | -0.154832 | 0.071295 | -0.028450 | -0.055564 | 0.079968 | 0.102318 | 0.000000 | 0.000000 | 0.000000 |
| 108.817970 | 0.135241 | 0.014575 | -0.008071 | -0.065694 | 0.042373 | -0.019968 | 0.007515 | 0.004222 | -0.023779 | -0.022834 | 0.000000 | 0.000000 | 0.000000 |
| 65.754127 | 0.242352 | 0.006175 | -0.673679 | -0.619237 | 0.473868 | -0.227146 | 0.093231 | 0.228557 | -0.265375 | -0.395105 | 0.000000 | 0.000000 | 0.000000 |
| 39.696852 | 0.193277 | 0.008992 | -0.589798 | -0.649844 | 0.495963 | -0.238418 | 0.094514 | 0.163416 | -0.286649 | -0.356034 | 0.000000 | 0.000000 | 0.000000 |
| 24.299517 | 0.054540 | 0.000102 | -0.120044 | 0.110733 | -0.091495 | 0.041286 | -0.012640 | 0.036055 | 0.106411 | 0.182616 | 0.000000 | 0.000000 | 0.000000 |
| 14.891295 | 0.002387 | 0.002633 | 0.110679 | 0.798169 | -0.971696 | 0.561457 | -0.241013 | -0.671121 | 0.709027 | 1.120340 | 0.000000 | 0.000000 | 0.000000 |
| 9.148150 | -0.001311 | -0.000436 | 0.084264 | 0.523341 | -0.853279 | 0.511351 | -0.205587 | -0.301630 | 0.688069 | 0.764086 | 1.000000 | 0.000000 | 0.000000 |
| 5.376718 | -0.000272 | 0.000722 | 0.013775 | 0.104675 | 0.408075 | -0.364269 | 0.147449 | 0.158874 | -0.743542 | -1.231580 | 0.000000 | 1.000000 | 0.000000 |
| 3.165088 | 0.000371 | -0.000354 | 0.000418 | 0.020495 | 0.914367 | -0.920883 | 0.440282 | 1.686580 | -2.372680 | -5.750330 | 0.000000 | 0.000000 | 0.000000 |
| 1.815798 | 0.000072 | 0.000195 | -0.000186 | 0.008822 | 0.333867 | -0.408418 | 0.170139 | -0.256593 | 1.091240 | 10.636500 | 0.000000 | 0.000000 | 0.000000 |
| 1.016196 | 0.000033 | -0.000090 | 0.000074 | 0.000105 | 0.045537 | 0.499206 | -0.249317 | -1.568790 | 4.035680 | -4.588100 | 0.000000 | 0.000000 | 0.000000 |
| 0.537919 | -0.000004 | 0.000036 | -0.000018 | 0.000191 | 0.026901 | 0.705540 | -0.511812 | -0.758291 | -3.814270 | -4.058030 | 0.000000 | 0.000000 | 0.000000 |
| 0.274183 | 0.000004 | -0.000012 | 0.000017 | -0.000053 | 0.008431 | 0.227362 | -0.253129 | 1.598510 | -0.271154 | 5.115910 | 0.000000 | 0.000000 | 0.000000 |
| 0.083298 | -0.000001 | 0.000004 | -0.000003 | 0.000004 | 0.001093 | 0.070766 | 0.442364 | 0.855296 | 2.400580 | -2.305380 | 0.000000 | 0.000000 | 0.000000 |
| 0.040768 | 0.000001 | -0.000002 | 0.000003 | -0.000026 | 0.000901 | 0.080100 | 0.588409 | -0.899590 | -1.085120 | 0.016718 | 0.000000 | 0.000000 | 0.000000 |
| 0.019280 | -0.000000 | 0.000001 | -0.000000 | -0.000002 | 0.000336 | 0.025930 | 0.181767 | -0.315996 | -0.525875 | 0.863721 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
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