MOLPRO Basis Query, element=Np, basis=cc-pwCVTZ-DK3, l=s
Basis Np s cc-pwCVTZ-DK3
| Primitives | Contractions... |
|---|
| 56938391.000000 | 0.002032 | -0.001098 | -0.000830 | -0.000128 | 0.000118 | -0.000053 | 0.000023 | 0.000045 | -0.000058 | -0.000074 | 0.000000 | 0.000000 | 0.000000 |
| 15156255.000000 | 0.001755 | -0.000948 | -0.000716 | -0.000110 | 0.000102 | -0.000046 | 0.000020 | 0.000039 | -0.000050 | -0.000064 | 0.000000 | 0.000000 | 0.000000 |
| 5183359.900000 | 0.005076 | -0.002745 | -0.002075 | -0.000320 | 0.000295 | -0.000133 | 0.000059 | 0.000112 | -0.000145 | -0.000185 | 0.000000 | 0.000000 | 0.000000 |
| 1970362.500000 | 0.006216 | -0.003367 | -0.002548 | -0.000393 | 0.000362 | -0.000163 | 0.000072 | 0.000138 | -0.000178 | -0.000228 | 0.000000 | 0.000000 | 0.000000 |
| 822136.300000 | 0.012224 | -0.006642 | -0.005037 | -0.000778 | 0.000716 | -0.000323 | 0.000142 | 0.000272 | -0.000352 | -0.000450 | 0.000000 | 0.000000 | 0.000000 |
| 364036.600000 | 0.016517 | -0.009021 | -0.006864 | -0.001062 | 0.000977 | -0.000441 | 0.000194 | 0.000372 | -0.000480 | -0.000618 | 0.000000 | 0.000000 | 0.000000 |
| 170100.900000 | 0.027967 | -0.015376 | -0.011751 | -0.001824 | 0.001676 | -0.000756 | 0.000334 | 0.000637 | -0.000822 | -0.001049 | 0.000000 | 0.000000 | 0.000000 |
| 82704.375000 | 0.038972 | -0.021664 | -0.016674 | -0.002601 | 0.002386 | -0.001076 | 0.000475 | 0.000909 | -0.001174 | -0.001519 | 0.000000 | 0.000000 | 0.000000 |
| 41617.972000 | 0.061287 | -0.034546 | -0.026829 | -0.004211 | 0.003855 | -0.001738 | 0.000767 | 0.001460 | -0.001888 | -0.002387 | 0.000000 | 0.000000 | 0.000000 |
| 21489.380000 | 0.085837 | -0.049483 | -0.038969 | -0.006174 | 0.005634 | -0.002541 | 0.001122 | 0.002155 | -0.002781 | -0.003649 | 0.000000 | 0.000000 | 0.000000 |
| 11330.428000 | 0.126222 | -0.074944 | -0.060123 | -0.009651 | 0.008762 | -0.003950 | 0.001742 | 0.003303 | -0.004275 | -0.005293 | 0.000000 | 0.000000 | 0.000000 |
| 6073.087000 | 0.165281 | -0.102780 | -0.084746 | -0.013862 | 0.012511 | -0.005643 | 0.002493 | 0.004825 | -0.006215 | -0.008402 | 0.000000 | 0.000000 | 0.000000 |
| 3302.453100 | 0.202569 | -0.133468 | -0.113881 | -0.019089 | 0.017064 | -0.007691 | 0.003390 | 0.006346 | -0.008242 | -0.009640 | 0.000000 | 0.000000 | 0.000000 |
| 1819.049300 | 0.192653 | -0.133476 | -0.116902 | -0.019941 | 0.017754 | -0.008017 | 0.003549 | 0.007068 | -0.009046 | -0.013626 | 0.000000 | 0.000000 | 0.000000 |
| 1013.482900 | 0.137049 | -0.071638 | -0.048573 | -0.006078 | 0.006030 | -0.002692 | 0.001164 | 0.001619 | -0.002265 | 0.001404 | 0.000000 | 0.000000 | 0.000000 |
| 569.224750 | 0.068267 | 0.082343 | 0.169497 | 0.046363 | -0.035795 | 0.016161 | -0.007087 | -0.012319 | 0.016385 | 0.012119 | 0.000000 | 0.000000 | 0.000000 |
| 325.453150 | 0.061145 | 0.225757 | 0.490677 | 0.148564 | -0.112921 | 0.051335 | -0.022800 | -0.046392 | 0.059400 | 0.096061 | 0.000000 | 0.000000 | 0.000000 |
| 188.318210 | 0.050554 | 0.209517 | 0.608670 | 0.214424 | -0.157809 | 0.071621 | -0.031436 | -0.055012 | 0.073260 | 0.055815 | 0.000000 | 0.000000 | 0.000000 |
| 110.072870 | 0.029435 | 0.125580 | 0.173616 | 0.041995 | -0.036552 | 0.017222 | -0.008109 | -0.026326 | 0.030625 | 0.118705 | 0.000000 | 0.000000 | 0.000000 |
| 65.245047 | 0.028034 | 0.219225 | -0.568859 | -0.510482 | 0.369595 | -0.175064 | 0.078858 | 0.174476 | -0.224540 | -0.457927 | 0.000000 | 0.000000 | 0.000000 |
| 39.078903 | 0.029468 | 0.219001 | -0.674389 | -0.750135 | 0.545434 | -0.257347 | 0.112953 | 0.185809 | -0.262217 | -0.080499 | 0.000000 | 0.000000 | 0.000000 |
| 23.327997 | 0.008943 | 0.076902 | -0.207060 | -0.054961 | 0.040052 | -0.024351 | 0.014079 | 0.081958 | -0.067891 | -0.514071 | 0.000000 | 0.000000 | 0.000000 |
| 13.713941 | 0.002831 | 0.005245 | 0.091329 | 0.800236 | -0.864882 | 0.479418 | -0.224429 | -0.567376 | 0.749378 | 1.975790 | 0.000000 | 0.000000 | 0.000000 |
| 8.286836 | 0.000155 | -0.000254 | 0.078752 | 0.564778 | -0.926915 | 0.548987 | -0.245307 | -0.329325 | 0.511798 | -0.957146 | 1.000000 | 0.000000 | 0.000000 |
| 5.097346 | 0.000561 | -0.000413 | 0.016084 | 0.125461 | 0.222548 | -0.197111 | 0.083347 | -0.022448 | -0.163930 | 1.933820 | 0.000000 | 1.000000 | 0.000000 |
| 2.901863 | -0.000160 | 0.000431 | 0.001052 | 0.028523 | 0.926419 | -0.875105 | 0.454247 | 1.465890 | -2.355790 | -8.380730 | 0.000000 | 0.000000 | 0.000000 |
| 1.659528 | 0.000123 | 0.000062 | -0.000382 | 0.008285 | 0.428937 | -0.544352 | 0.267954 | 0.268741 | 0.127750 | 10.103000 | 0.000000 | 0.000000 | 0.000000 |
| 0.878718 | -0.000047 | 0.000054 | 0.000075 | 0.001151 | 0.059168 | 0.437844 | -0.251483 | -1.708140 | 4.926880 | -2.167520 | 0.000000 | 0.000000 | 0.000000 |
| 0.465690 | 0.000022 | -0.000013 | -0.000035 | -0.000319 | 0.029272 | 0.719135 | -0.562261 | -0.933123 | -4.096510 | -5.926090 | 0.000000 | 0.000000 | 0.000000 |
| 0.237847 | -0.000008 | 0.000007 | 0.000018 | 0.000029 | 0.010283 | 0.233921 | -0.281900 | 1.719860 | -0.409615 | 6.083290 | 0.000000 | 0.000000 | 0.000000 |
| 0.075180 | 0.000003 | -0.000002 | -0.000005 | -0.000045 | 0.001309 | 0.083423 | 0.443920 | 0.890669 | 2.620440 | -2.689800 | 0.000000 | 0.000000 | 0.000000 |
| 0.037041 | -0.000002 | 0.000001 | 0.000003 | -0.000016 | 0.001264 | 0.096967 | 0.599745 | -0.976458 | -1.228540 | 0.149118 | 0.000000 | 0.000000 | 0.000000 |
| 0.017707 | 0.000000 | -0.000000 | -0.000001 | -0.000013 | 0.000410 | 0.030082 | 0.178525 | -0.293434 | -0.486207 | 0.865826 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
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