MOLPRO Basis Query, element=Lr, basis=cc-pVQZ-X2C, l=s
Basis Lr s cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 54611196.000000 | -0.001987 | 0.005800 | 0.002346 | -0.000326 | 0.000368 | -0.000164 | 0.000079 | 0.000152 | -0.000191 | 0.000246 | -0.000274 | 0.000000 |
| 14530232.000000 | -0.001190 | 0.003460 | 0.001405 | -0.000196 | 0.000221 | -0.000098 | 0.000047 | 0.000091 | -0.000114 | 0.000148 | -0.000164 | 0.000000 |
| 4956870.300000 | -0.003957 | 0.011504 | 0.004674 | -0.000651 | 0.000734 | -0.000327 | 0.000157 | 0.000303 | -0.000381 | 0.000491 | -0.000546 | 0.000000 |
| 1874868.100000 | -0.003693 | 0.010648 | 0.004365 | -0.000610 | 0.000686 | -0.000306 | 0.000147 | 0.000284 | -0.000356 | 0.000460 | -0.000511 | 0.000000 |
| 777795.310000 | -0.008130 | 0.023380 | 0.009609 | -0.001344 | 0.001512 | -0.000674 | 0.000324 | 0.000625 | -0.000785 | 0.001012 | -0.001127 | 0.000000 |
| 342155.720000 | -0.009081 | 0.025704 | 0.010745 | -0.001512 | 0.001697 | -0.000757 | 0.000363 | 0.000702 | -0.000881 | 0.001137 | -0.001263 | 0.000000 |
| 159090.620000 | -0.016954 | 0.047652 | 0.020070 | -0.002832 | 0.003175 | -0.001416 | 0.000680 | 0.001313 | -0.001647 | 0.002124 | -0.002369 | 0.000000 |
| 77212.229000 | -0.020223 | 0.055282 | 0.023983 | -0.003419 | 0.003817 | -0.001702 | 0.000818 | 0.001579 | -0.001982 | 0.002561 | -0.002836 | 0.000000 |
| 39128.738000 | -0.035217 | 0.095100 | 0.041808 | -0.005991 | 0.006674 | -0.002976 | 0.001430 | 0.002761 | -0.003460 | 0.004453 | -0.005004 | 0.000000 |
| 20704.812000 | -0.038133 | 0.097786 | 0.045427 | -0.006626 | 0.007328 | -0.003267 | 0.001569 | 0.003030 | -0.003820 | 0.004971 | -0.005362 | 0.000000 |
| 11702.094000 | -0.064620 | 0.166097 | 0.077059 | -0.011272 | 0.012458 | -0.005557 | 0.002670 | 0.005158 | -0.006398 | 0.008085 | -0.009730 | 0.000000 |
| 7578.654700 | -0.019297 | 0.037832 | 0.023333 | -0.003637 | 0.003902 | -0.001734 | 0.000832 | 0.001602 | -0.002245 | 0.003445 | -0.001551 | 0.000000 |
| 5329.101000 | -0.085742 | 0.213238 | 0.102714 | -0.015303 | 0.016809 | -0.007504 | 0.003607 | 0.006975 | -0.008353 | 0.009852 | -0.014866 | 0.000000 |
| 3425.154200 | -0.050816 | 0.106539 | 0.061317 | -0.009434 | 0.010179 | -0.004527 | 0.002172 | 0.004185 | -0.005789 | 0.008719 | -0.004524 | 0.000000 |
| 2153.136100 | -0.083113 | 0.204661 | 0.098776 | -0.014568 | 0.016095 | -0.007192 | 0.003459 | 0.006693 | -0.007645 | 0.008116 | -0.016273 | 0.000000 |
| 1341.635300 | -0.009031 | 0.075620 | 0.001688 | 0.003296 | -0.002109 | 0.000967 | -0.000473 | -0.000943 | 0.000111 | 0.002343 | 0.007930 | 0.000000 |
| 832.006760 | 0.057825 | 0.088509 | -0.110928 | 0.031782 | -0.027965 | 0.012463 | -0.005984 | -0.011593 | 0.016223 | -0.024845 | 0.012866 | 0.000000 |
| 503.970390 | 0.202653 | -0.001322 | -0.385978 | 0.108763 | -0.096898 | 0.043414 | -0.020903 | -0.040586 | 0.048710 | -0.057833 | 0.088888 | 0.000000 |
| 305.939620 | 0.215242 | 0.036950 | -0.528453 | 0.172553 | -0.148029 | 0.066305 | -0.031889 | -0.061997 | 0.082658 | -0.117936 | 0.094186 | 0.000000 |
| 187.046300 | 0.156326 | -0.008434 | -0.381699 | 0.130589 | -0.113404 | 0.051354 | -0.024800 | -0.048225 | 0.053182 | -0.052258 | 0.130233 | 0.000000 |
| 115.876460 | 0.129173 | 0.011289 | 0.201705 | -0.182519 | 0.144242 | -0.067072 | 0.032579 | 0.063675 | -0.066427 | 0.053898 | -0.187243 | 0.000000 |
| 72.725610 | 0.218022 | -0.033993 | 0.654230 | -0.632701 | 0.524840 | -0.246970 | 0.119784 | 0.241650 | -0.344773 | 0.559861 | -0.520968 | 0.000000 |
| 45.063374 | 0.148731 | -0.003236 | 0.534434 | -0.561350 | 0.468642 | -0.223044 | 0.108722 | 0.215378 | -0.235084 | 0.192488 | -0.460131 | 0.000000 |
| 27.241206 | 0.049182 | -0.013866 | 0.076290 | 0.202244 | -0.201903 | 0.099349 | -0.048893 | -0.123863 | 0.145678 | -0.194580 | 1.117310 | 0.000000 |
| 17.520319 | -0.001082 | 0.011806 | -0.102261 | 0.734654 | -1.035110 | 0.610160 | -0.306716 | -0.627106 | 0.927595 | -1.494640 | 0.261178 | 0.000000 |
| 11.308539 | 0.008358 | -0.007065 | -0.075682 | 0.448635 | -0.784189 | 0.467336 | -0.236126 | -0.524374 | 0.534651 | -0.292293 | 3.169960 | 0.000000 |
| 7.246186 | -0.003470 | 0.006152 | -0.013142 | 0.127275 | 0.227217 | -0.235405 | 0.127244 | 0.361444 | -0.272722 | -0.301242 | -5.922660 | 0.000000 |
| 4.653011 | 0.002768 | -0.003707 | -0.005055 | 0.046977 | 0.809919 | -0.780651 | 0.422695 | 1.189410 | -2.779620 | 8.513950 | -6.171310 | 0.000000 |
| 2.892359 | -0.001183 | 0.001964 | 0.000860 | 0.028112 | 0.526172 | -0.626117 | 0.359543 | 0.945177 | -0.080907 | -9.167140 | 20.500600 | 0.000000 |
| 1.704026 | 0.000700 | -0.000998 | -0.000993 | 0.005115 | 0.115175 | 0.099082 | -0.076419 | -1.694590 | 4.152040 | -2.278300 | -16.876400 | 0.000000 |
| 0.989061 | -0.000349 | 0.000529 | 0.000423 | 0.000989 | 0.030448 | 0.622876 | -0.432314 | -1.155350 | -0.269361 | 8.299150 | 0.139218 | 0.000000 |
| 0.566307 | 0.000187 | -0.000275 | -0.000283 | 0.000433 | 0.022641 | 0.469401 | -0.494558 | 0.260942 | -3.332360 | -1.819760 | 11.284200 | 0.000000 |
| 0.319333 | -0.000084 | 0.000126 | 0.000107 | 0.000160 | 0.004942 | 0.105524 | -0.209823 | 1.170270 | 0.067494 | -4.442610 | -8.315060 | 0.000000 |
| 0.156470 | 0.000037 | -0.000055 | -0.000052 | -0.000005 | 0.001364 | 0.067358 | 0.318781 | 0.816243 | 2.406280 | 2.765740 | -0.161992 | 0.000000 |
| 0.081217 | -0.000019 | 0.000028 | 0.000024 | 0.000016 | 0.001641 | 0.111164 | 0.593692 | -0.528632 | -0.241750 | 0.872897 | 3.573420 | 0.000000 |
| 0.042028 | 0.000008 | -0.000012 | -0.000012 | 0.000001 | 0.000990 | 0.061971 | 0.329492 | -0.511587 | -0.779222 | -0.993117 | -1.466260 | 0.000000 |
| 0.021714 | -0.000002 | 0.000003 | 0.000002 | 0.000001 | 0.000122 | 0.008388 | 0.045098 | -0.126995 | -0.217749 | -0.244285 | -0.431713 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)