MOLPRO Basis Query, element=Gd, basis=cc-pwCVQZ-X2C, l=s
Basis Gd s cc-pwCVQZ-X2C
| Primitives | Contractions... |
|---|
| 69231600.000000 | 0.000386 | -0.000207 | 0.000115 | -0.000027 | 0.000014 | -0.000007 | -0.000013 | 0.000018 | 0.000023 | 0.000022 | 0.000000 | 0.000000 | 0.000000 |
| 18430150.000000 | 0.000310 | -0.000166 | 0.000092 | -0.000022 | 0.000011 | -0.000006 | -0.000010 | 0.000015 | 0.000019 | 0.000018 | 0.000000 | 0.000000 | 0.000000 |
| 6323406.000000 | 0.000949 | -0.000509 | 0.000283 | -0.000067 | 0.000035 | -0.000017 | -0.000032 | 0.000045 | 0.000057 | 0.000055 | 0.000000 | 0.000000 | 0.000000 |
| 2418291.000000 | 0.001161 | -0.000624 | 0.000348 | -0.000083 | 0.000043 | -0.000021 | -0.000039 | 0.000055 | 0.000070 | 0.000067 | 0.000000 | 0.000000 | 0.000000 |
| 1011436.000000 | 0.002415 | -0.001300 | 0.000724 | -0.000172 | 0.000089 | -0.000044 | -0.000081 | 0.000115 | 0.000146 | 0.000140 | 0.000000 | 0.000000 | 0.000000 |
| 446835.300000 | 0.003496 | -0.001887 | 0.001054 | -0.000250 | 0.000130 | -0.000064 | -0.000117 | 0.000167 | 0.000212 | 0.000204 | 0.000000 | 0.000000 | 0.000000 |
| 206587.200000 | 0.006394 | -0.003460 | 0.001936 | -0.000460 | 0.000239 | -0.000118 | -0.000216 | 0.000307 | 0.000391 | 0.000373 | 0.000000 | 0.000000 | 0.000000 |
| 98757.810000 | 0.010135 | -0.005516 | 0.003098 | -0.000737 | 0.000383 | -0.000189 | -0.000345 | 0.000491 | 0.000622 | 0.000605 | 0.000000 | 0.000000 | 0.000000 |
| 48564.430000 | 0.017851 | -0.009778 | 0.005516 | -0.001315 | 0.000684 | -0.000338 | -0.000616 | 0.000877 | 0.001119 | 0.001058 | 0.000000 | 0.000000 | 0.000000 |
| 24424.960000 | 0.029810 | -0.016508 | 0.009380 | -0.002241 | 0.001165 | -0.000575 | -0.001049 | 0.001491 | 0.001886 | 0.001853 | 0.000000 | 0.000000 | 0.000000 |
| 12525.380000 | 0.051611 | -0.029021 | 0.016658 | -0.003995 | 0.002077 | -0.001025 | -0.001871 | 0.002668 | 0.003413 | 0.003185 | 0.000000 | 0.000000 | 0.000000 |
| 6537.632000 | 0.085397 | -0.049278 | 0.028760 | -0.006935 | 0.003603 | -0.001779 | -0.003244 | 0.004607 | 0.005807 | 0.005802 | 0.000000 | 0.000000 | 0.000000 |
| 3471.048000 | 0.136127 | -0.081878 | 0.049050 | -0.011936 | 0.006198 | -0.003061 | -0.005589 | 0.007981 | 0.010266 | 0.009376 | 0.000000 | 0.000000 | 0.000000 |
| 1873.554000 | 0.193155 | -0.124869 | 0.078057 | -0.019276 | 0.009997 | -0.004937 | -0.009001 | 0.012765 | 0.015992 | 0.016508 | 0.000000 | 0.000000 | 0.000000 |
| 1027.361000 | 0.227153 | -0.164737 | 0.109708 | -0.027733 | 0.014364 | -0.007095 | -0.012977 | 0.018616 | 0.024284 | 0.020943 | 0.000000 | 0.000000 | 0.000000 |
| 571.513300 | 0.189349 | -0.158378 | 0.113431 | -0.029506 | 0.015244 | -0.007529 | -0.013717 | 0.019304 | 0.023401 | 0.027902 | 0.000000 | 0.000000 | 0.000000 |
| 321.848900 | 0.099273 | -0.050928 | 0.026734 | -0.006133 | 0.003211 | -0.001588 | -0.002962 | 0.004723 | 0.008599 | -0.003225 | 0.000000 | 0.000000 | 0.000000 |
| 182.064800 | 0.055045 | 0.163565 | -0.217096 | 0.071038 | -0.036317 | 0.017972 | 0.033259 | -0.049049 | -0.069369 | -0.042752 | 0.000000 | 0.000000 | 0.000000 |
| 105.292600 | 0.068068 | 0.314795 | -0.516590 | 0.191022 | -0.097265 | 0.048174 | 0.088649 | -0.125346 | -0.150586 | -0.205732 | 0.000000 | 0.000000 | 0.000000 |
| 61.644590 | 0.050720 | 0.235759 | -0.511853 | 0.212835 | -0.108591 | 0.053921 | 0.101646 | -0.154218 | -0.229490 | -0.097884 | 0.000000 | 0.000000 | 0.000000 |
| 36.488220 | 0.022742 | 0.111434 | -0.050170 | 0.008727 | -0.005770 | 0.002933 | 0.001650 | 0.014910 | 0.073128 | -0.268935 | 0.000000 | 0.000000 | 0.000000 |
| 23.119500 | 0.020897 | 0.137679 | 0.484570 | -0.398388 | 0.212244 | -0.107023 | -0.195619 | 0.253863 | 0.236532 | 1.007100 | 0.000000 | 0.000000 | 0.000000 |
| 15.042880 | 0.022472 | 0.141787 | 0.546967 | -0.605935 | 0.334798 | -0.170528 | -0.373877 | 0.694281 | 1.383920 | 0.523089 | 0.000000 | 0.000000 | 0.000000 |
| 9.682888 | 0.011106 | 0.075464 | 0.297627 | -0.301579 | 0.155259 | -0.077748 | -0.124255 | 0.043516 | -0.556219 | 0.489009 | 0.000000 | 0.000000 | 0.000000 |
| 5.766888 | 0.002197 | 0.012013 | 0.030599 | 0.381222 | -0.244584 | 0.127672 | 0.351708 | -0.670122 | -0.854421 | -4.097970 | 0.000000 | 0.000000 | 0.000000 |
| 3.535186 | -0.000706 | -0.004216 | -0.041891 | 0.683872 | -0.569281 | 0.316267 | 0.780124 | -1.592920 | -4.334400 | -1.028960 | 0.000000 | 0.000000 | 0.000000 |
| 2.117304 | -0.000100 | -0.001763 | -0.020054 | 0.339300 | -0.428896 | 0.250805 | 0.524707 | 0.169954 | 7.082820 | 11.832800 | 0.000000 | 0.000000 | 0.000000 |
| 1.220142 | -0.000132 | -0.000527 | -0.004262 | 0.065676 | 0.118377 | -0.086642 | -1.254290 | 3.289640 | 0.361332 | -12.703400 | 0.000000 | 0.000000 | 0.000000 |
| 0.693518 | 0.000035 | -0.000048 | -0.001016 | 0.042429 | 0.542088 | -0.376654 | -1.004940 | -0.568739 | -6.251730 | 2.102640 | 0.000000 | 0.000000 | 0.000000 |
| 0.392100 | -0.000042 | -0.000144 | -0.001176 | 0.033882 | 0.425396 | -0.406804 | 0.328933 | -2.314170 | 2.047950 | 6.480770 | 0.000000 | 0.000000 | 0.000000 |
| 0.221820 | 0.000016 | 0.000007 | -0.000125 | 0.007730 | 0.082975 | -0.227141 | 0.592620 | -0.606515 | 3.102450 | -3.672620 | 0.000000 | 0.000000 | 0.000000 |
| 0.129745 | -0.000010 | -0.000018 | -0.000090 | 0.001518 | 0.034200 | 0.092681 | 0.877844 | 1.712120 | -1.111010 | -2.893200 | 0.000000 | 0.000000 | 0.000000 |
| 0.064594 | 0.000003 | -0.000002 | -0.000051 | 0.003644 | 0.122018 | 0.476922 | 0.113304 | 0.833076 | -1.717720 | 3.189710 | 0.000000 | 0.000000 | 0.000000 |
| 0.032637 | -0.000002 | -0.000010 | -0.000084 | 0.003977 | 0.132773 | 0.523259 | -0.652487 | -0.728226 | 0.491291 | 0.331967 | 0.000000 | 0.000000 | 0.000000 |
| 0.016207 | 0.000000 | -0.000001 | -0.000016 | 0.000919 | 0.030875 | 0.122162 | -0.298302 | -0.457353 | 0.594000 | -1.220570 | 1.000000 | 0.000000 | 0.000000 |
| 12.332830 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 7.789695 | 0.000000 | 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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