MOLPRO Basis Query, element=No, basis=cc-pVQZ-DK3, l=s
Basis No s cc-pVQZ-DK3
| Primitives | Contractions... |
|---|
| 54916930.000000 | 0.003273 | -0.002381 | 0.001613 | -0.000218 | 0.000239 | -0.000108 | 0.000039 | 0.000087 | -0.000121 | -0.000152 | 0.000164 | 0.000000 |
| 14614321.000000 | 0.002673 | -0.001943 | 0.001316 | -0.000178 | 0.000195 | -0.000088 | 0.000032 | 0.000071 | -0.000099 | -0.000124 | 0.000134 | 0.000000 |
| 4989120.900000 | 0.007755 | -0.005646 | 0.003828 | -0.000518 | 0.000567 | -0.000256 | 0.000093 | 0.000207 | -0.000288 | -0.000361 | 0.000390 | 0.000000 |
| 1889859.500000 | 0.008960 | -0.006533 | 0.004435 | -0.000601 | 0.000657 | -0.000297 | 0.000108 | 0.000240 | -0.000334 | -0.000419 | 0.000452 | 0.000000 |
| 785760.200000 | 0.017634 | -0.012898 | 0.008782 | -0.001193 | 0.001302 | -0.000589 | 0.000213 | 0.000476 | -0.000662 | -0.000830 | 0.000898 | 0.000000 |
| 346707.540000 | 0.022407 | -0.016471 | 0.011269 | -0.001535 | 0.001674 | -0.000757 | 0.000274 | 0.000611 | -0.000851 | -0.001068 | 0.001151 | 0.000000 |
| 161775.620000 | 0.037809 | -0.027981 | 0.019263 | -0.002635 | 0.002869 | -0.001297 | 0.000470 | 0.001048 | -0.001457 | -0.001829 | 0.001985 | 0.000000 |
| 78844.285000 | 0.048183 | -0.036065 | 0.025089 | -0.003454 | 0.003752 | -0.001696 | 0.000615 | 0.001370 | -0.001908 | -0.002393 | 0.002561 | 0.000000 |
| 40177.040000 | 0.074676 | -0.056617 | 0.039845 | -0.005525 | 0.005986 | -0.002706 | 0.000981 | 0.002186 | -0.003038 | -0.003817 | 0.004201 | 0.000000 |
| 21416.283000 | 0.085313 | -0.066186 | 0.047537 | -0.006678 | 0.007195 | -0.003253 | 0.001179 | 0.002629 | -0.003672 | -0.004595 | 0.004704 | 0.000000 |
| 12123.403000 | 0.121805 | -0.096197 | 0.070174 | -0.009954 | 0.010698 | -0.004838 | 0.001754 | 0.003902 | -0.005382 | -0.006812 | 0.008344 | 0.000000 |
| 7532.586400 | 0.075402 | -0.062688 | 0.047707 | -0.006953 | 0.007363 | -0.003324 | 0.001204 | 0.002707 | -0.003932 | -0.004753 | 0.001808 | 0.000000 |
| 5250.315200 | 0.132563 | -0.108772 | 0.081961 | -0.011862 | 0.012696 | -0.005749 | 0.002085 | 0.004604 | -0.006092 | -0.008002 | 0.015043 | 0.000000 |
| 3495.599500 | 0.107322 | -0.093345 | 0.073551 | -0.010953 | 0.011480 | -0.005179 | 0.001875 | 0.004238 | -0.006312 | -0.007470 | -0.000251 | 0.000000 |
| 2168.994500 | 0.156311 | -0.130649 | 0.099124 | -0.014257 | 0.015322 | -0.006941 | 0.002518 | 0.005540 | -0.007186 | -0.009593 | 0.020884 | 0.000000 |
| 1320.143600 | 0.091456 | -0.049862 | 0.015444 | 0.000960 | 0.000169 | -0.000051 | 0.000014 | 0.000129 | -0.000922 | -0.000300 | -0.014907 | 0.000000 |
| 802.531090 | 0.088010 | 0.030950 | -0.121539 | 0.033137 | -0.028704 | 0.012973 | -0.004702 | -0.010689 | 0.016147 | 0.019168 | 0.003059 | 0.000000 |
| 490.430110 | 0.061920 | 0.163495 | -0.380837 | 0.104025 | -0.091168 | 0.041432 | -0.015047 | -0.033383 | 0.044656 | 0.058753 | -0.103964 | 0.000000 |
| 300.423780 | 0.085237 | 0.170694 | -0.541035 | 0.172579 | -0.144954 | 0.065831 | -0.023889 | -0.054035 | 0.079043 | 0.096957 | -0.040435 | 0.000000 |
| 183.618140 | 0.043001 | 0.130735 | -0.397414 | 0.132023 | -0.112974 | 0.051866 | -0.018882 | -0.041477 | 0.052247 | 0.072568 | -0.191964 | 0.000000 |
| 111.246840 | 0.049992 | 0.138877 | 0.193526 | -0.183333 | 0.142602 | -0.067239 | 0.024610 | 0.053819 | -0.064621 | -0.092246 | 0.307695 | 0.000000 |
| 70.200889 | 0.052155 | 0.243537 | 0.649612 | -0.640698 | 0.518253 | -0.246814 | 0.090258 | 0.211172 | -0.326258 | -0.439751 | 0.196268 | 0.000000 |
| 43.560489 | 0.049697 | 0.174873 | 0.522733 | -0.548990 | 0.449963 | -0.216768 | 0.079591 | 0.176616 | -0.218570 | -0.291852 | 0.835174 | 0.000000 |
| 25.764604 | 0.006853 | 0.050405 | 0.077925 | 0.198199 | -0.197887 | 0.097596 | -0.036073 | -0.092829 | 0.117705 | 0.378416 | -1.863560 | 0.000000 |
| 17.262779 | 0.005160 | -0.010893 | -0.109978 | 0.703721 | -0.940717 | 0.557754 | -0.210775 | -0.505237 | 0.810426 | 0.848585 | 1.415970 | 0.000000 |
| 11.213340 | -0.002152 | 0.002340 | -0.078089 | 0.494277 | -0.865691 | 0.522534 | -0.198158 | -0.472266 | 0.599622 | 1.096420 | -4.652600 | 0.000000 |
| 7.049428 | 0.001741 | -0.003537 | -0.018891 | 0.134137 | 0.279974 | -0.279161 | 0.111877 | 0.306232 | -0.406493 | -1.076350 | 6.634670 | 0.000000 |
| 4.176234 | -0.000810 | 0.001626 | -0.001640 | 0.042024 | 0.937441 | -0.931775 | 0.380323 | 1.217460 | -2.590860 | -5.762250 | 2.690000 | 0.000000 |
| 2.435756 | 0.000614 | -0.000824 | 0.000273 | 0.015396 | 0.423166 | -0.516127 | 0.223251 | 0.482962 | 0.423701 | 7.895990 | -15.484900 | 0.000000 |
| 1.468022 | -0.000379 | 0.000615 | -0.000296 | 0.002341 | 0.057744 | 0.274376 | -0.140885 | -1.483930 | 3.445490 | 0.858637 | 14.139800 | 0.000000 |
| 0.862473 | 0.000235 | -0.000360 | 0.000168 | 0.000276 | 0.026725 | 0.595067 | -0.309949 | -0.763818 | -0.233996 | -6.364700 | 0.344006 | 0.000000 |
| 0.515615 | -0.000127 | 0.000199 | -0.000120 | 0.000307 | 0.012409 | 0.451143 | -0.338520 | 0.060480 | -2.480390 | 0.646451 | -8.177770 | 0.000000 |
| 0.293540 | 0.000053 | -0.000082 | 0.000041 | 0.000025 | 0.005215 | 0.129865 | -0.186659 | 0.863702 | -0.548152 | 3.567730 | 3.143530 | 0.000000 |
| 0.139338 | -0.000021 | 0.000032 | -0.000019 | 0.000021 | 0.000137 | 0.026505 | 0.161181 | 0.858243 | 1.584790 | -0.555668 | 3.620170 | 0.000000 |
| 0.072810 | 0.000011 | -0.000016 | 0.000009 | -0.000009 | 0.000825 | 0.058817 | 0.521651 | -0.032461 | 0.657989 | -1.870270 | -3.794520 | 0.000000 |
| 0.036275 | -0.000004 | 0.000006 | -0.000004 | 0.000004 | 0.000532 | 0.052301 | 0.464349 | -0.645393 | -0.707402 | 0.539656 | 0.102170 | 0.000000 |
| 0.017995 | 0.000001 | -0.000001 | 0.000001 | -0.000001 | 0.000121 | 0.009451 | 0.084854 | -0.282281 | -0.445886 | 0.605059 | 1.038300 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)