MOLPRO Basis Query, element=Sm, basis=cc-pwCVQZ-DK3, l=s
Basis Sm s cc-pwCVQZ-DK3
| Primitives | Contractions... |
|---|
| 70553620.000000 | 0.000276 | -0.000142 | 0.000081 | -0.000019 | 0.000010 | -0.000005 | -0.000009 | 0.000012 | 0.000016 | -0.000015 | 0.000000 | 0.000000 | 0.000000 |
| 18760310.000000 | 0.000274 | -0.000141 | 0.000080 | -0.000019 | 0.000010 | -0.000005 | -0.000009 | 0.000012 | 0.000016 | -0.000015 | 0.000000 | 0.000000 | 0.000000 |
| 6422564.000000 | 0.000786 | -0.000404 | 0.000230 | -0.000054 | 0.000028 | -0.000015 | -0.000025 | 0.000035 | 0.000045 | -0.000044 | 0.000000 | 0.000000 | 0.000000 |
| 2447117.000000 | 0.001116 | -0.000575 | 0.000327 | -0.000077 | 0.000040 | -0.000022 | -0.000036 | 0.000050 | 0.000064 | -0.000062 | 0.000000 | 0.000000 | 0.000000 |
| 1017667.000000 | 0.002225 | -0.001147 | 0.000653 | -0.000153 | 0.000081 | -0.000044 | -0.000073 | 0.000100 | 0.000128 | -0.000124 | 0.000000 | 0.000000 | 0.000000 |
| 446524.800000 | 0.003510 | -0.001814 | 0.001034 | -0.000243 | 0.000128 | -0.000069 | -0.000115 | 0.000158 | 0.000203 | -0.000198 | 0.000000 | 0.000000 | 0.000000 |
| 204563.800000 | 0.006272 | -0.003251 | 0.001858 | -0.000436 | 0.000230 | -0.000125 | -0.000207 | 0.000285 | 0.000366 | -0.000351 | 0.000000 | 0.000000 | 0.000000 |
| 96634.310000 | 0.010352 | -0.005395 | 0.003093 | -0.000727 | 0.000383 | -0.000208 | -0.000344 | 0.000473 | 0.000606 | -0.000596 | 0.000000 | 0.000000 | 0.000000 |
| 46866.050000 | 0.017956 | -0.009425 | 0.005430 | -0.001278 | 0.000673 | -0.000365 | -0.000606 | 0.000836 | 0.001078 | -0.001019 | 0.000000 | 0.000000 | 0.000000 |
| 23253.380000 | 0.030288 | -0.016081 | 0.009333 | -0.002202 | 0.001160 | -0.000629 | -0.001042 | 0.001431 | 0.001827 | -0.001826 | 0.000000 | 0.000000 | 0.000000 |
| 11787.570000 | 0.051874 | -0.028012 | 0.016435 | -0.003893 | 0.002050 | -0.001112 | -0.001845 | 0.002552 | 0.003304 | -0.003058 | 0.000000 | 0.000000 | 0.000000 |
| 6096.347000 | 0.086320 | -0.047909 | 0.028594 | -0.006813 | 0.003586 | -0.001945 | -0.003221 | 0.004412 | 0.005605 | -0.005756 | 0.000000 | 0.000000 | 0.000000 |
| 3213.501000 | 0.137964 | -0.080020 | 0.049053 | -0.011799 | 0.006207 | -0.003367 | -0.005592 | 0.007763 | 0.010127 | -0.009038 | 0.000000 | 0.000000 | 0.000000 |
| 1725.382000 | 0.197122 | -0.123233 | 0.078837 | -0.019256 | 0.010116 | -0.005488 | -0.009082 | 0.012384 | 0.015584 | -0.016880 | 0.000000 | 0.000000 | 0.000000 |
| 943.431500 | 0.230702 | -0.162646 | 0.110900 | -0.027742 | 0.014555 | -0.007898 | -0.013155 | 0.018451 | 0.024544 | -0.019785 | 0.000000 | 0.000000 | 0.000000 |
| 524.825100 | 0.190024 | -0.155360 | 0.113948 | -0.029375 | 0.015371 | -0.008338 | -0.013748 | 0.018292 | 0.021816 | -0.030246 | 0.000000 | 0.000000 | 0.000000 |
| 296.364900 | 0.097018 | -0.048095 | 0.026207 | -0.005987 | 0.003178 | -0.001730 | -0.003069 | 0.005697 | 0.011216 | 0.009417 | 0.000000 | 0.000000 | 0.000000 |
| 169.077000 | 0.051465 | 0.159413 | -0.211214 | 0.068170 | -0.035324 | 0.019211 | 0.032644 | -0.048926 | -0.073067 | 0.025872 | 0.000000 | 0.000000 | 0.000000 |
| 98.971510 | 0.062032 | 0.303077 | -0.495035 | 0.180764 | -0.093259 | 0.050730 | 0.084046 | -0.109455 | -0.123709 | 0.230128 | 0.000000 | 0.000000 | 0.000000 |
| 59.132220 | 0.046935 | 0.230934 | -0.499049 | 0.203798 | -0.105340 | 0.057494 | 0.100447 | -0.160110 | -0.256454 | 0.013145 | 0.000000 | 0.000000 | 0.000000 |
| 36.269900 | 0.021436 | 0.107637 | -0.122161 | 0.048913 | -0.026427 | 0.014468 | 0.016858 | 0.019841 | 0.117219 | 0.420838 | 0.000000 | 0.000000 | 0.000000 |
| 23.191900 | 0.018793 | 0.128336 | 0.391905 | -0.302828 | 0.161350 | -0.089102 | -0.139061 | 0.118423 | -0.009775 | -0.975976 | 0.000000 | 0.000000 | 0.000000 |
| 14.871800 | 0.023663 | 0.161493 | 0.604534 | -0.636705 | 0.356307 | -0.199912 | -0.397160 | 0.749893 | 1.483200 | -0.380078 | 0.000000 | 0.000000 | 0.000000 |
| 9.232309 | 0.012807 | 0.091028 | 0.346174 | -0.382885 | 0.204161 | -0.112886 | -0.176020 | 0.072620 | -0.487354 | -0.953525 | 0.000000 | 0.000000 | 0.000000 |
| 5.396108 | 0.002286 | 0.014358 | 0.039248 | 0.362572 | -0.234118 | 0.134474 | 0.329850 | -0.524145 | -0.512024 | 4.142210 | 0.000000 | 0.000000 | 0.000000 |
| 3.239681 | -0.000435 | -0.003187 | -0.038833 | 0.701757 | -0.591320 | 0.364666 | 0.840179 | -1.768670 | -4.916770 | 1.312710 | 0.000000 | 0.000000 | 0.000000 |
| 1.906050 | -0.000081 | -0.001385 | -0.017989 | 0.330159 | -0.428715 | 0.278234 | 0.528556 | 0.356489 | 7.860190 | -12.274600 | 0.000000 | 0.000000 | 0.000000 |
| 1.068909 | -0.000080 | -0.000387 | -0.003648 | 0.064845 | 0.166224 | -0.133005 | -1.485610 | 3.445470 | -0.582505 | 14.515500 | 0.000000 | 0.000000 | 0.000000 |
| 0.599140 | 0.000017 | -0.000070 | -0.001282 | 0.054018 | 0.557115 | -0.440366 | -0.860540 | -1.112990 | -6.379180 | -4.958880 | 0.000000 | 0.000000 | 0.000000 |
| 0.336627 | -0.000027 | -0.000118 | -0.001207 | 0.037015 | 0.357923 | -0.422376 | 0.431688 | -2.439950 | 3.391520 | -5.486520 | 0.000000 | 0.000000 | 0.000000 |
| 0.188523 | 0.000009 | 0.000004 | -0.000098 | 0.006549 | 0.048153 | -0.187683 | 0.816841 | 0.089865 | 2.466700 | 5.676810 | 0.000000 | 0.000000 | 0.000000 |
| 0.102331 | -0.000006 | -0.000014 | -0.000099 | 0.002530 | 0.059525 | 0.178508 | 0.765189 | 1.880440 | -1.863590 | 0.777824 | 0.000000 | 0.000000 | 0.000000 |
| 0.052678 | 0.000002 | -0.000005 | -0.000089 | 0.005843 | 0.159036 | 0.520393 | -0.185519 | 0.280837 | -1.175210 | -3.273070 | 0.000000 | 0.000000 | 0.000000 |
| 0.027563 | -0.000002 | -0.000010 | -0.000101 | 0.004868 | 0.131396 | 0.431535 | -0.609493 | -0.785426 | 0.739839 | 0.543649 | 0.000000 | 0.000000 | 0.000000 |
| 0.014325 | 0.000000 | -0.000001 | -0.000015 | 0.000893 | 0.024337 | 0.080251 | -0.199930 | -0.318787 | 0.416220 | 0.914232 | 1.000000 | 0.000000 | 0.000000 |
| 11.319090 | 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 |
| 7.135044 | 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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