MOLPRO Basis Query, element=No, basis=cc-pwCVTZ-X2C, l=s
Basis No s cc-pwCVTZ-X2C
| Primitives | Contractions... |
|---|
| 54887332.000000 | 0.005099 | -0.002645 | 0.002185 | -0.000301 | 0.000336 | -0.000152 | 0.000055 | 0.000123 | -0.000170 | -0.000218 | 0.000000 | 0.000000 | 0.000000 |
| 14604438.000000 | 0.003067 | -0.001595 | 0.001320 | -0.000182 | 0.000203 | -0.000092 | 0.000033 | 0.000074 | -0.000103 | -0.000132 | 0.000000 | 0.000000 | 0.000000 |
| 4983940.300000 | 0.010175 | -0.005294 | 0.004380 | -0.000603 | 0.000674 | -0.000304 | 0.000110 | 0.000246 | -0.000341 | -0.000437 | 0.000000 | 0.000000 | 0.000000 |
| 1886983.700000 | 0.009471 | -0.004958 | 0.004114 | -0.000569 | 0.000634 | -0.000287 | 0.000104 | 0.000232 | -0.000321 | -0.000411 | 0.000000 | 0.000000 | 0.000000 |
| 784491.640000 | 0.020747 | -0.010880 | 0.009036 | -0.001250 | 0.001393 | -0.000630 | 0.000228 | 0.000509 | -0.000706 | -0.000903 | 0.000000 | 0.000000 | 0.000000 |
| 346468.750000 | 0.022825 | -0.012110 | 0.010115 | -0.001408 | 0.001565 | -0.000707 | 0.000256 | 0.000573 | -0.000793 | -0.001016 | 0.000000 | 0.000000 | 0.000000 |
| 162126.780000 | 0.041908 | -0.022353 | 0.018720 | -0.002612 | 0.002901 | -0.001311 | 0.000475 | 0.001059 | -0.001469 | -0.001876 | 0.000000 | 0.000000 | 0.000000 |
| 79398.120000 | 0.049136 | -0.026731 | 0.022599 | -0.003184 | 0.003522 | -0.001592 | 0.000577 | 0.001292 | -0.001787 | -0.002297 | 0.000000 | 0.000000 | 0.000000 |
| 40593.880000 | 0.081484 | -0.044813 | 0.038088 | -0.005396 | 0.005954 | -0.002691 | 0.000974 | 0.002167 | -0.003011 | -0.003826 | 0.000000 | 0.000000 | 0.000000 |
| 21466.830000 | 0.096941 | -0.055014 | 0.047443 | -0.006819 | 0.007483 | -0.003384 | 0.001227 | 0.002762 | -0.003808 | -0.004943 | 0.000000 | 0.000000 | 0.000000 |
| 11662.732000 | 0.146103 | -0.084689 | 0.073795 | -0.010725 | 0.011709 | -0.005289 | 0.001914 | 0.004222 | -0.005897 | -0.007388 | 0.000000 | 0.000000 | 0.000000 |
| 6458.560900 | 0.163290 | -0.099398 | 0.088531 | -0.013143 | 0.014244 | -0.006445 | 0.002340 | 0.005346 | -0.007304 | -0.009716 | 0.000000 | 0.000000 | 0.000000 |
| 3631.854100 | 0.200816 | -0.125473 | 0.113139 | -0.017027 | 0.018314 | -0.008260 | 0.002982 | 0.006397 | -0.009101 | -0.010848 | 0.000000 | 0.000000 | 0.000000 |
| 2068.051200 | 0.161648 | -0.099028 | 0.087370 | -0.012683 | 0.013918 | -0.006327 | 0.002318 | 0.005747 | -0.007452 | -0.011298 | 0.000000 | 0.000000 | 0.000000 |
| 1193.814200 | 0.127109 | -0.037643 | 0.008415 | 0.003736 | -0.001946 | 0.000971 | -0.000413 | -0.002185 | 0.001923 | 0.006412 | 0.000000 | 0.000000 | 0.000000 |
| 701.114570 | 0.049240 | 0.108553 | -0.201962 | 0.053162 | -0.047031 | 0.021117 | -0.007520 | -0.014088 | 0.022134 | 0.019920 | 0.000000 | 0.000000 | 0.000000 |
| 424.816000 | 0.063393 | 0.195606 | -0.420345 | 0.123894 | -0.107737 | 0.049328 | -0.018204 | -0.046655 | 0.059598 | 0.095510 | 0.000000 | 0.000000 | 0.000000 |
| 263.492080 | 0.031002 | 0.207175 | -0.528423 | 0.174333 | -0.145840 | 0.065546 | -0.023204 | -0.041273 | 0.067695 | 0.053203 | 0.000000 | 0.000000 | 0.000000 |
| 163.822640 | 0.039033 | 0.122132 | -0.266063 | 0.084874 | -0.076264 | 0.036421 | -0.014245 | -0.049940 | 0.052784 | 0.126646 | 0.000000 | 0.000000 | 0.000000 |
| 100.044580 | 0.005285 | 0.170851 | 0.346803 | -0.303985 | 0.242905 | -0.117012 | 0.044394 | 0.129198 | -0.154207 | -0.296461 | 0.000000 | 0.000000 | 0.000000 |
| 61.818784 | 0.019101 | 0.213315 | 0.724265 | -0.728045 | 0.586851 | -0.276169 | 0.098534 | 0.186872 | -0.317050 | -0.328493 | 0.000000 | 0.000000 | 0.000000 |
| 37.488165 | 0.002778 | 0.126254 | 0.397995 | -0.370319 | 0.312756 | -0.158985 | 0.061987 | 0.192804 | -0.196749 | -0.360924 | 0.000000 | 0.000000 | 0.000000 |
| 21.374202 | 0.006153 | 0.019657 | -0.040642 | 0.621891 | -0.703164 | 0.392649 | -0.152374 | -0.462117 | 0.603277 | 1.196620 | 0.000000 | 0.000000 | 0.000000 |
| 12.968486 | 0.000417 | 0.003413 | -0.122754 | 0.732039 | -1.211540 | 0.735985 | -0.270986 | -0.502968 | 0.854273 | 0.640687 | 0.000000 | 0.000000 | 0.000000 |
| 7.643437 | 0.001855 | 0.000316 | -0.027591 | 0.201171 | 0.049688 | -0.113041 | 0.035852 | -0.097556 | -0.039780 | 0.591966 | 0.000000 | 0.000000 | 0.000000 |
| 4.402142 | -0.000600 | 0.000582 | -0.002942 | 0.044986 | 0.993261 | -0.969960 | 0.409401 | 1.571780 | -2.794500 | -7.443450 | 0.000000 | 0.000000 | 0.000000 |
| 2.478742 | 0.000330 | -0.000003 | 0.000497 | 0.018908 | 0.488500 | -0.566463 | 0.223244 | 0.062823 | 0.740039 | 9.356500 | 0.000000 | 0.000000 | 0.000000 |
| 1.261614 | -0.000136 | 0.000082 | -0.000291 | 0.001727 | 0.060444 | 0.482955 | -0.216372 | -1.477780 | 3.933670 | -2.485180 | 0.000000 | 0.000000 | 0.000000 |
| 0.655038 | 0.000063 | -0.000028 | 0.000106 | 0.000364 | 0.022278 | 0.732864 | -0.480201 | -0.723343 | -3.229310 | -4.523500 | 0.000000 | 0.000000 | 0.000000 |
| 0.325959 | -0.000021 | 0.000012 | -0.000050 | 0.000112 | 0.007936 | 0.232057 | -0.236088 | 1.372040 | -0.541947 | 4.817180 | 0.000000 | 0.000000 | 0.000000 |
| 0.094084 | 0.000007 | -0.000003 | 0.000014 | 0.000006 | 0.000726 | 0.058948 | 0.456254 | 0.989232 | 2.215970 | -1.957810 | 0.000000 | 0.000000 | 0.000000 |
| 0.045343 | -0.000005 | 0.000002 | -0.000010 | -0.000001 | 0.000714 | 0.062501 | 0.571821 | -0.887365 | -0.895688 | -0.152833 | 0.000000 | 0.000000 | 0.000000 |
| 0.021175 | 0.000001 | -0.000001 | 0.000003 | 0.000001 | 0.000222 | 0.020194 | 0.176828 | -0.382191 | -0.564607 | 0.866743 | 1.000000 | 0.000000 | 0.000000 |
| 10.169861 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 6.395181 | 0.000000 | 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)