MOLPRO Basis Query, element=Cs, basis=augccpwCVTZ-DK3, l=p
Basis Cs p augccpwCVTZ-DK3
Primitives | Contractions... |
9103965.300000 | 0.000009 | -0.000004 | 0.000002 | 0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1439487.000000 | 0.000031 | -0.000015 | 0.000007 | 0.000002 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
311897.000000 | 0.000099 | -0.000047 | 0.000021 | 0.000007 | 0.000001 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
81662.843000 | 0.000311 | -0.000148 | 0.000066 | 0.000022 | 0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
24760.610000 | 0.000994 | -0.000474 | 0.000213 | 0.000071 | 0.000012 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
8521.228600 | 0.003217 | -0.001540 | 0.000693 | 0.000232 | 0.000038 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3272.321400 | 0.010317 | -0.004979 | 0.002246 | 0.000753 | 0.000122 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1373.967500 | 0.031516 | -0.015420 | 0.006968 | 0.002334 | 0.000379 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
618.824830 | 0.086326 | -0.043396 | 0.019744 | 0.006633 | 0.001077 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
294.301580 | 0.194877 | -0.102175 | 0.046833 | 0.015722 | 0.002552 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
145.673920 | 0.326737 | -0.181538 | 0.084545 | 0.028552 | 0.004640 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
74.353410 | 0.340138 | -0.183355 | 0.083970 | 0.028076 | 0.004554 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
38.570854 | 0.169487 | 0.056831 | -0.048568 | -0.017545 | -0.002859 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
20.063076 | 0.027411 | 0.437854 | -0.294597 | -0.107246 | -0.017541 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
10.693286 | 0.001141 | 0.469118 | -0.351967 | -0.127490 | -0.020788 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
5.626034 | -0.000151 | 0.152410 | 0.148747 | 0.079578 | 0.013286 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2.893497 | -0.000003 | 0.010375 | 0.606916 | 0.301316 | 0.050621 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.497076 | -0.000097 | 0.001624 | 0.389569 | 0.225627 | 0.038180 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.766846 | 0.000048 | -0.000569 | 0.065313 | -0.183992 | -0.035738 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.395969 | -0.000034 | 0.000357 | 0.004298 | -0.468276 | -0.087887 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.207355 | 0.000021 | -0.000224 | -0.000059 | -0.399676 | -0.095144 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.107712 | -0.000009 | 0.000099 | 0.000218 | -0.151355 | -0.080203 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.041228 | 0.000004 | -0.000038 | -0.000118 | -0.013242 | 0.188916 | 1.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.019390 | -0.000002 | 0.000020 | 0.000055 | 0.001710 | 0.611041 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.008907 | 0.000001 | -0.000006 | -0.000017 | -0.000578 | 0.318140 | 0.000000 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
0.610930 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.119250 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.004090 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
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