MOLPRO Basis Query, element=Cm, basis=cc-pVQZ-X2C, l=p
Basis Cm p cc-pVQZ-X2C
Primitives | Contractions... |
78111414.000000 | 0.000013 | -0.000016 | 0.000001 | -0.000002 | 0.000001 | -0.000000 | -0.000001 | -0.000001 | 0.000002 | -0.000002 | 0.000000 |
29983519.000000 | 0.000005 | -0.000006 | 0.000000 | -0.000001 | 0.000000 | -0.000000 | -0.000000 | -0.000000 | 0.000001 | -0.000001 | 0.000000 |
11585777.000000 | 0.000035 | -0.000043 | 0.000002 | -0.000006 | 0.000003 | -0.000001 | -0.000002 | -0.000003 | 0.000005 | -0.000005 | 0.000000 |
4659196.600000 | 0.000044 | -0.000055 | 0.000003 | -0.000008 | 0.000004 | -0.000001 | -0.000003 | -0.000004 | 0.000006 | -0.000007 | 0.000000 |
1937006.800000 | 0.000111 | -0.000139 | 0.000008 | -0.000020 | 0.000009 | -0.000002 | -0.000007 | -0.000010 | 0.000015 | -0.000017 | 0.000000 |
829099.890000 | 0.000194 | -0.000242 | 0.000014 | -0.000035 | 0.000016 | -0.000004 | -0.000012 | -0.000018 | 0.000026 | -0.000030 | 0.000000 |
364115.730000 | 0.000408 | -0.000511 | 0.000030 | -0.000074 | 0.000033 | -0.000007 | -0.000025 | -0.000037 | 0.000056 | -0.000061 | 0.000000 |
163832.080000 | 0.000785 | -0.000985 | 0.000058 | -0.000142 | 0.000064 | -0.000014 | -0.000048 | -0.000072 | 0.000107 | -0.000122 | 0.000000 |
75447.931000 | 0.001612 | -0.002029 | 0.000120 | -0.000294 | 0.000131 | -0.000030 | -0.000099 | -0.000150 | 0.000222 | -0.000239 | 0.000000 |
35550.102000 | 0.003279 | -0.004143 | 0.000250 | -0.000602 | 0.000269 | -0.000061 | -0.000203 | -0.000304 | 0.000451 | -0.000525 | 0.000000 |
17148.012000 | 0.006881 | -0.008742 | 0.000537 | -0.001275 | 0.000569 | -0.000129 | -0.000431 | -0.000652 | 0.000967 | -0.001019 | 0.000000 |
8480.721100 | 0.014438 | -0.018507 | 0.001174 | -0.002717 | 0.001214 | -0.000275 | -0.000914 | -0.001369 | 0.002033 | -0.002416 | 0.000000 |
4307.700100 | 0.030129 | -0.039115 | 0.002586 | -0.005798 | 0.002590 | -0.000587 | -0.001961 | -0.002974 | 0.004410 | -0.004539 | 0.000000 |
2248.415600 | 0.060223 | -0.079771 | 0.005622 | -0.012005 | 0.005361 | -0.001216 | -0.004033 | -0.006028 | 0.008961 | -0.010939 | 0.000000 |
1204.261800 | 0.110304 | -0.150156 | 0.011442 | -0.023059 | 0.010299 | -0.002336 | -0.007814 | -0.011890 | 0.017643 | -0.017415 | 0.000000 |
660.101600 | 0.172376 | -0.242990 | 0.020370 | -0.038284 | 0.017088 | -0.003877 | -0.012821 | -0.019046 | 0.028360 | -0.037033 | 0.000000 |
369.544410 | 0.209361 | -0.294620 | 0.024363 | -0.046253 | 0.020658 | -0.004686 | -0.015800 | -0.024435 | 0.036205 | -0.028306 | 0.000000 |
210.284680 | 0.187995 | -0.172263 | -0.008864 | -0.014237 | 0.006330 | -0.001432 | -0.004314 | -0.005059 | 0.007363 | -0.033770 | 0.000000 |
121.167200 | 0.161045 | 0.170268 | -0.119474 | 0.085716 | -0.038340 | 0.008734 | 0.028322 | 0.040292 | -0.061843 | 0.125663 | 0.000000 |
71.128202 | 0.179646 | 0.495799 | -0.274214 | 0.214566 | -0.096647 | 0.022021 | 0.075625 | 0.121394 | -0.186656 | 0.112001 | 0.000000 |
41.965928 | 0.140178 | 0.411192 | -0.186584 | 0.142236 | -0.062728 | 0.014266 | 0.044120 | 0.055556 | -0.079982 | 0.283235 | 0.000000 |
24.589139 | 0.045152 | 0.055863 | 0.247072 | -0.188036 | 0.089493 | -0.020751 | -0.065644 | -0.089256 | 0.168821 | -0.627039 | 0.000000 |
14.501039 | 0.000478 | -0.147317 | 0.577220 | -0.531250 | 0.264315 | -0.061290 | -0.218634 | -0.374319 | 0.591834 | 0.009876 | 0.000000 |
8.572796 | -0.002277 | -0.096729 | 0.355875 | -0.285165 | 0.127957 | -0.029466 | -0.078005 | -0.052205 | 0.036788 | -1.188090 | 0.000000 |
5.011320 | -0.000471 | -0.017590 | 0.070333 | 0.400348 | -0.269052 | 0.065457 | 0.202667 | 0.282232 | -0.759844 | 3.530530 | 0.000000 |
2.882032 | 0.000264 | 0.003300 | 0.000466 | 0.609703 | -0.448666 | 0.113505 | 0.474022 | 0.989954 | -1.823530 | -1.492690 | 0.000000 |
1.623110 | 0.000085 | 0.001577 | -0.001254 | 0.266594 | -0.124240 | 0.027035 | 0.010682 | -0.558759 | 3.819640 | -4.264420 | 0.000000 |
0.875566 | 0.000033 | 0.000396 | -0.000319 | 0.047627 | 0.367304 | -0.114208 | -0.759174 | -1.519490 | -1.056230 | 7.394630 | 0.000000 |
0.465554 | -0.000004 | 0.000008 | 0.000017 | 0.017994 | 0.524217 | -0.178888 | -0.298683 | 0.742031 | -2.442980 | -5.235520 | 0.000000 |
0.244008 | 0.000006 | 0.000055 | -0.000011 | 0.008985 | 0.289511 | -0.141029 | 0.284916 | 1.199350 | 2.056700 | 0.691050 | 0.000000 |
0.119433 | -0.000002 | -0.000010 | 0.000011 | 0.001627 | 0.055438 | 0.105021 | 0.574487 | -0.450640 | 0.343232 | 1.835630 | 0.000000 |
0.057072 | 0.000001 | 0.000007 | -0.000003 | 0.000063 | 0.002886 | 0.464659 | 0.309698 | -0.641122 | -0.806061 | -1.143070 | 0.000000 |
0.027469 | -0.000000 | -0.000003 | 0.000002 | 0.000034 | 0.001136 | 0.469640 | 0.028055 | -0.045266 | -0.072289 | -0.111868 | 0.000000 |
0.013221 | 0.000000 | 0.000001 | -0.000001 | -0.000006 | -0.000179 | 0.117882 | 0.001829 | -0.007813 | -0.009931 | -0.021224 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
|