MOLPRO Basis Query, element=Pm, basis=cc-pwCVTZ-X2C, l=s
Basis Pm s cc-pwCVTZ-X2C
Primitives | Contractions... |
71784670.000000 | 0.000306 | -0.000158 | 0.000090 | -0.000021 | 0.000011 | -0.000006 | -0.000010 | 0.000014 | 0.000017 | 0.000000 | 0.000000 | 0.000000 |
18892770.000000 | 0.000267 | -0.000138 | 0.000078 | -0.000018 | 0.000010 | -0.000005 | -0.000009 | 0.000012 | 0.000015 | 0.000000 | 0.000000 | 0.000000 |
6329847.000000 | 0.000786 | -0.000407 | 0.000230 | -0.000054 | 0.000029 | -0.000016 | -0.000025 | 0.000035 | 0.000045 | 0.000000 | 0.000000 | 0.000000 |
2331188.000000 | 0.001098 | -0.000569 | 0.000322 | -0.000075 | 0.000040 | -0.000022 | -0.000036 | 0.000049 | 0.000063 | 0.000000 | 0.000000 | 0.000000 |
923397.300000 | 0.002254 | -0.001169 | 0.000663 | -0.000155 | 0.000082 | -0.000045 | -0.000073 | 0.000100 | 0.000128 | 0.000000 | 0.000000 | 0.000000 |
382823.800000 | 0.003716 | -0.001932 | 0.001099 | -0.000256 | 0.000136 | -0.000075 | -0.000121 | 0.000166 | 0.000217 | 0.000000 | 0.000000 | 0.000000 |
165149.700000 | 0.006965 | -0.003635 | 0.002072 | -0.000484 | 0.000257 | -0.000141 | -0.000228 | 0.000312 | 0.000393 | 0.000000 | 0.000000 | 0.000000 |
73643.840000 | 0.012300 | -0.006456 | 0.003694 | -0.000864 | 0.000459 | -0.000252 | -0.000409 | 0.000559 | 0.000747 | 0.000000 | 0.000000 | 0.000000 |
33857.140000 | 0.022772 | -0.012054 | 0.006935 | -0.001624 | 0.000862 | -0.000474 | -0.000763 | 0.001045 | 0.001280 | 0.000000 | 0.000000 | 0.000000 |
16004.300000 | 0.041275 | -0.022143 | 0.012849 | -0.003020 | 0.001604 | -0.000882 | -0.001436 | 0.001961 | 0.002703 | 0.000000 | 0.000000 | 0.000000 |
7762.535000 | 0.074596 | -0.040919 | 0.024086 | -0.005683 | 0.003016 | -0.001656 | -0.002656 | 0.003642 | 0.004258 | 0.000000 | 0.000000 | 0.000000 |
3854.677000 | 0.127715 | -0.072766 | 0.043838 | -0.010440 | 0.005542 | -0.003049 | -0.004990 | 0.006808 | 0.009861 | 0.000000 | 0.000000 | 0.000000 |
1955.677000 | 0.198096 | -0.120916 | 0.075860 | -0.018300 | 0.009690 | -0.005316 | -0.008471 | 0.011647 | 0.012456 | 0.000000 | 0.000000 | 0.000000 |
1011.898000 | 0.249547 | -0.171537 | 0.114716 | -0.028388 | 0.015038 | -0.008288 | -0.013730 | 0.018691 | 0.030132 | 0.000000 | 0.000000 | 0.000000 |
532.828300 | 0.215963 | -0.175638 | 0.127724 | -0.032563 | 0.017143 | -0.009372 | -0.014509 | 0.020167 | 0.012746 | 0.000000 | 0.000000 | 0.000000 |
284.586900 | 0.105973 | -0.051342 | 0.027079 | -0.006261 | 0.003434 | -0.002000 | -0.004645 | 0.005702 | 0.035670 | 0.000000 | 0.000000 | 0.000000 |
151.191900 | 0.059393 | 0.211852 | -0.282541 | 0.092101 | -0.048252 | 0.026820 | 0.046816 | -0.063383 | -0.144332 | 0.000000 | 0.000000 | 0.000000 |
82.522030 | 0.071050 | 0.351872 | -0.620677 | 0.231651 | -0.119885 | 0.065608 | 0.101713 | -0.144587 | -0.065403 | 0.000000 | 0.000000 | 0.000000 |
45.217850 | 0.042077 | 0.204438 | -0.436191 | 0.186045 | -0.098497 | 0.055557 | 0.103380 | -0.138026 | -0.425883 | 0.000000 | 0.000000 | 0.000000 |
23.885580 | 0.024780 | 0.157100 | 0.382600 | -0.286143 | 0.154215 | -0.088391 | -0.172790 | 0.233718 | 0.831142 | 0.000000 | 0.000000 | 0.000000 |
13.600290 | 0.028177 | 0.194480 | 0.746654 | -0.798025 | 0.444008 | -0.248051 | -0.410437 | 0.672479 | 0.133787 | 0.000000 | 0.000000 | 0.000000 |
7.558101 | 0.010577 | 0.072780 | 0.270151 | -0.204338 | 0.107563 | -0.065954 | -0.151325 | 0.084871 | 1.377750 | 0.000000 | 0.000000 | 0.000000 |
3.976805 | 0.000239 | 0.000732 | -0.025236 | 0.774808 | -0.561540 | 0.347330 | 0.903813 | -1.647090 | -5.976420 | 0.000000 | 0.000000 | 0.000000 |
2.106473 | -0.000260 | -0.002485 | -0.032457 | 0.565304 | -0.646379 | 0.409964 | 0.662357 | -0.538356 | 6.018700 | 0.000000 | 0.000000 | 0.000000 |
0.960839 | -0.000059 | -0.000497 | -0.004325 | 0.085442 | 0.199484 | -0.142579 | -1.416320 | 4.493930 | 0.257039 | 0.000000 | 0.000000 | 0.000000 |
0.503142 | -0.000003 | -0.000061 | -0.001593 | 0.061913 | 0.670272 | -0.606773 | -1.045480 | -3.525420 | -5.754490 | 0.000000 | 0.000000 | 0.000000 |
0.243820 | -0.000010 | -0.000091 | -0.000853 | 0.028106 | 0.242636 | -0.373100 | 1.594580 | -0.378418 | 5.211020 | 0.000000 | 0.000000 | 0.000000 |
0.062797 | 0.000000 | -0.000000 | -0.000109 | 0.006257 | 0.164248 | 0.495660 | 1.052200 | 2.722140 | -3.044610 | 0.000000 | 0.000000 | 0.000000 |
0.032516 | -0.000002 | -0.000017 | -0.000122 | 0.005761 | 0.151076 | 0.501755 | -1.194890 | -1.808390 | 1.269750 | 0.000000 | 0.000000 | 0.000000 |
0.016177 | 0.000000 | -0.000001 | -0.000032 | 0.001868 | 0.051107 | 0.162456 | -0.178246 | -0.207027 | 0.376131 | 1.000000 | 0.000000 | 0.000000 |
9.635924 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
6.063760 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Q. Lu and K.A. Peterson, J. Chem. Phys. 145, 054111 (2016)
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