MOLPRO Basis Query, element=U, basis=cc-pwCVDZ-DK3, l=s
Basis U s cc-pwCVDZ-DK3
Primitives | Contractions... |
55856733.000000 | 0.002007 | -0.000873 | 0.000783 | -0.000107 | 0.000128 | -0.000049 | 0.000022 | -0.000043 | 0.000000 | 0.000000 |
14634687.000000 | 0.001894 | -0.000824 | 0.000739 | -0.000101 | 0.000120 | -0.000047 | 0.000020 | -0.000041 | 0.000000 | 0.000000 |
4842728.200000 | 0.005248 | -0.002286 | 0.002051 | -0.000281 | 0.000334 | -0.000130 | 0.000056 | -0.000113 | 0.000000 | 0.000000 |
1746306.100000 | 0.007506 | -0.003276 | 0.002942 | -0.000403 | 0.000480 | -0.000186 | 0.000081 | -0.000162 | 0.000000 | 0.000000 |
673343.400000 | 0.014654 | -0.006422 | 0.005777 | -0.000793 | 0.000943 | -0.000365 | 0.000159 | -0.000318 | 0.000000 | 0.000000 |
270324.670000 | 0.023564 | -0.010402 | 0.009388 | -0.001292 | 0.001535 | -0.000595 | 0.000259 | -0.000517 | 0.000000 | 0.000000 |
112518.550000 | 0.041280 | -0.018424 | 0.016699 | -0.002309 | 0.002739 | -0.001061 | 0.000461 | -0.000925 | 0.000000 | 0.000000 |
48259.049000 | 0.067461 | -0.030662 | 0.028023 | -0.003901 | 0.004617 | -0.001789 | 0.000778 | -0.001554 | 0.000000 | 0.000000 |
21287.674000 | 0.111472 | -0.052086 | 0.048103 | -0.006780 | 0.007983 | -0.003092 | 0.001345 | -0.002702 | 0.000000 | 0.000000 |
9634.094000 | 0.172265 | -0.084226 | 0.079374 | -0.011366 | 0.013318 | -0.005160 | 0.002244 | -0.004464 | 0.000000 | 0.000000 |
4466.062900 | 0.242314 | -0.126889 | 0.122620 | -0.018100 | 0.020951 | -0.008109 | 0.003525 | -0.007132 | 0.000000 | 0.000000 |
2117.360400 | 0.264863 | -0.151322 | 0.152061 | -0.023043 | 0.026488 | -0.010258 | 0.004464 | -0.008750 | 0.000000 | 0.000000 |
1024.167400 | 0.182368 | -0.082190 | 0.069414 | -0.008776 | 0.010681 | -0.004131 | 0.001787 | -0.004036 | 0.000000 | 0.000000 |
492.269480 | 0.069534 | 0.148850 | -0.281989 | 0.071001 | -0.069963 | 0.026971 | -0.011714 | 0.024715 | 0.000000 | 0.000000 |
249.300140 | 0.046046 | 0.295161 | -0.729183 | 0.212038 | -0.204114 | 0.078918 | -0.034442 | 0.066379 | 0.000000 | 0.000000 |
129.308400 | 0.029595 | 0.184247 | -0.459099 | 0.153392 | -0.144495 | 0.056156 | -0.024326 | 0.055068 | 0.000000 | 0.000000 |
63.977246 | 0.015548 | 0.272892 | 0.651259 | -0.551967 | 0.494834 | -0.198366 | 0.086552 | -0.190289 | 0.000000 | 0.000000 |
34.043746 | 0.012079 | 0.249689 | 0.750627 | -0.736945 | 0.701785 | -0.290420 | 0.128446 | -0.239144 | 0.000000 | 0.000000 |
16.080141 | 0.002722 | 0.038682 | 0.022411 | 0.523349 | -0.673872 | 0.319373 | -0.144229 | 0.267978 | 0.000000 | 0.000000 |
8.656131 | 0.000836 | -0.007162 | -0.124709 | 0.737355 | -1.300680 | 0.705006 | -0.318734 | 0.761218 | 0.000000 | 0.000000 |
3.610326 | 0.000240 | 0.002063 | -0.013340 | 0.196721 | 0.680936 | -0.647597 | 0.310167 | -1.013230 | 1.000000 | 0.000000 |
1.907879 | 0.000027 | 0.000162 | -0.003000 | 0.099354 | 0.833595 | -0.868972 | 0.449300 | -0.801436 | 0.000000 | 0.000000 |
0.642924 | 0.000019 | 0.000302 | -0.000396 | 0.014414 | 0.083516 | 0.769116 | -0.525986 | 3.070040 | 0.000000 | 0.000000 |
0.293469 | -0.000004 | -0.000084 | -0.000076 | -0.000187 | 0.012880 | 0.558987 | -0.500253 | -2.196610 | 0.000000 | 0.000000 |
0.054188 | 0.000001 | 0.000026 | -0.000014 | 0.000772 | 0.003690 | 0.140244 | 0.787262 | -0.711173 | 0.000000 | 0.000000 |
0.022644 | -0.000001 | -0.000011 | -0.000001 | -0.000213 | -0.000235 | 0.056449 | 0.397168 | 1.119880 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)