MOLPRO Basis Query, element=Pa, basis=cc-pwCVDZ-X2C, l=s
Basis Pa s cc-pwCVDZ-X2C
| Primitives | Contractions... |
|---|
| 56655884.000000 | 0.000436 | 0.002782 | 0.001007 | -0.000140 | 0.000164 | -0.000063 | 0.000028 | -0.000054 | 0.000000 | 0.000000 |
| 14813567.000000 | 0.000320 | 0.002054 | 0.000745 | -0.000104 | 0.000121 | -0.000046 | 0.000021 | -0.000040 | 0.000000 | 0.000000 |
| 4885337.400000 | 0.000953 | 0.006120 | 0.002220 | -0.000310 | 0.000362 | -0.000138 | 0.000061 | -0.000118 | 0.000000 | 0.000000 |
| 1754150.100000 | 0.001178 | 0.007637 | 0.002785 | -0.000389 | 0.000454 | -0.000173 | 0.000077 | -0.000149 | 0.000000 | 0.000000 |
| 673061.040000 | 0.002352 | 0.015385 | 0.005634 | -0.000789 | 0.000920 | -0.000351 | 0.000156 | -0.000301 | 0.000000 | 0.000000 |
| 268964.970000 | 0.003508 | 0.023479 | 0.008696 | -0.001221 | 0.001424 | -0.000543 | 0.000241 | -0.000465 | 0.000000 | 0.000000 |
| 111487.340000 | 0.006132 | 0.042190 | 0.015822 | -0.002233 | 0.002598 | -0.000990 | 0.000440 | -0.000850 | 0.000000 | 0.000000 |
| 47649.274000 | 0.009554 | 0.069210 | 0.026572 | -0.003775 | 0.004383 | -0.001671 | 0.000742 | -0.001431 | 0.000000 | 0.000000 |
| 20957.417000 | 0.015174 | 0.118539 | 0.046888 | -0.006738 | 0.007787 | -0.002967 | 0.001317 | -0.002552 | 0.000000 | 0.000000 |
| 9462.226400 | 0.020906 | 0.188483 | 0.078586 | -0.011461 | 0.013187 | -0.005026 | 0.002231 | -0.004295 | 0.000000 | 0.000000 |
| 4378.063100 | 0.023129 | 0.274706 | 0.123333 | -0.018511 | 0.021065 | -0.008020 | 0.003560 | -0.006930 | 0.000000 | 0.000000 |
| 2072.497600 | 0.014367 | 0.308862 | 0.154254 | -0.023787 | 0.026871 | -0.010239 | 0.004548 | -0.008668 | 0.000000 | 0.000000 |
| 1001.116000 | 0.026864 | 0.202421 | 0.074149 | -0.009902 | 0.011677 | -0.004439 | 0.001962 | -0.004101 | 0.000000 | 0.000000 |
| 480.277130 | 0.160589 | -0.019381 | -0.276432 | 0.070016 | -0.068414 | 0.025966 | -0.011513 | 0.023135 | 0.000000 | 0.000000 |
| 243.055990 | 0.273927 | -0.119106 | -0.729183 | 0.213063 | -0.203508 | 0.077506 | -0.034526 | 0.065044 | 0.000000 | 0.000000 |
| 125.931250 | 0.171742 | -0.073797 | -0.467125 | 0.157710 | -0.147605 | 0.056491 | -0.024995 | 0.052758 | 0.000000 | 0.000000 |
| 62.083606 | 0.240316 | -0.133390 | 0.645954 | -0.548320 | 0.490425 | -0.193724 | 0.086300 | -0.179402 | 0.000000 | 0.000000 |
| 33.005270 | 0.219706 | -0.124556 | 0.749606 | -0.738823 | 0.700737 | -0.285856 | 0.128996 | -0.238372 | 0.000000 | 0.000000 |
| 15.546144 | 0.034026 | -0.018327 | 0.025007 | 0.520601 | -0.665208 | 0.310665 | -0.143075 | 0.268500 | 0.000000 | 0.000000 |
| 8.338789 | -0.006177 | 0.004753 | -0.120892 | 0.734215 | -1.292130 | 0.690063 | -0.318514 | 0.711679 | 0.000000 | 0.000000 |
| 3.447813 | 0.001875 | -0.000902 | -0.013016 | 0.197247 | 0.669179 | -0.624539 | 0.305258 | -0.915689 | 1.000000 | 0.000000 |
| 1.821726 | 0.000203 | -0.000100 | -0.003267 | 0.102356 | 0.833477 | -0.869932 | 0.459830 | -0.868913 | 0.000000 | 0.000000 |
| 0.611129 | 0.000278 | -0.000151 | -0.000409 | 0.014871 | 0.083533 | 0.758085 | -0.532920 | 3.098950 | 0.000000 | 0.000000 |
| 0.281140 | -0.000077 | 0.000043 | -0.000083 | -0.000291 | 0.012437 | 0.560623 | -0.511554 | -2.204100 | 0.000000 | 0.000000 |
| 0.053135 | 0.000025 | -0.000013 | -0.000015 | 0.000823 | 0.003815 | 0.143353 | 0.786078 | -0.742930 | 0.000000 | 0.000000 |
| 0.022257 | -0.000010 | 0.000006 | -0.000001 | -0.000226 | -0.000250 | 0.058539 | 0.403389 | 1.148400 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)