MOLPRO Basis Query, element=U, basis=cc-pVQZ-X2C, l=s
Basis U s cc-pVQZ-X2C
| Primitives | Contractions... |
|---|
| 56697466.000000 | -0.000892 | 0.002883 | -0.001089 | -0.000171 | 0.000152 | -0.000068 | 0.000031 | 0.000057 | 0.000074 | 0.000094 | 0.000101 | 0.000000 |
| 15093688.000000 | -0.000585 | 0.001885 | -0.000714 | -0.000112 | 0.000099 | -0.000045 | 0.000020 | 0.000037 | 0.000049 | 0.000062 | 0.000066 | 0.000000 |
| 5164101.300000 | -0.001896 | 0.006109 | -0.002314 | -0.000365 | 0.000322 | -0.000145 | 0.000065 | 0.000121 | 0.000158 | 0.000200 | 0.000214 | 0.000000 |
| 1964638.800000 | -0.001926 | 0.006169 | -0.002352 | -0.000371 | 0.000328 | -0.000148 | 0.000066 | 0.000124 | 0.000160 | 0.000203 | 0.000218 | 0.000000 |
| 820774.810000 | -0.004153 | 0.013274 | -0.005074 | -0.000801 | 0.000708 | -0.000319 | 0.000143 | 0.000267 | 0.000346 | 0.000438 | 0.000470 | 0.000000 |
| 364106.970000 | -0.005026 | 0.015880 | -0.006147 | -0.000974 | 0.000859 | -0.000387 | 0.000174 | 0.000324 | 0.000420 | 0.000533 | 0.000570 | 0.000000 |
| 170668.080000 | -0.009216 | 0.028919 | -0.011278 | -0.001790 | 0.001579 | -0.000712 | 0.000319 | 0.000595 | 0.000771 | 0.000976 | 0.001050 | 0.000000 |
| 83455.390000 | -0.012169 | 0.037435 | -0.014920 | -0.002382 | 0.002097 | -0.000945 | 0.000423 | 0.000790 | 0.001026 | 0.001303 | 0.001390 | 0.000000 |
| 42423.377000 | -0.020571 | 0.062349 | -0.025258 | -0.004051 | 0.003560 | -0.001604 | 0.000719 | 0.001341 | 0.001737 | 0.002192 | 0.002375 | 0.000000 |
| 22228.774000 | -0.028443 | 0.083413 | -0.035041 | -0.005674 | 0.004969 | -0.002240 | 0.001003 | 0.001874 | 0.002436 | 0.003109 | 0.003281 | 0.000000 |
| 11931.713000 | -0.045367 | 0.128950 | -0.056078 | -0.009168 | 0.008002 | -0.003607 | 0.001616 | 0.003014 | 0.003896 | 0.004883 | 0.005379 | 0.000000 |
| 6539.042000 | -0.060903 | 0.163063 | -0.075806 | -0.012610 | 0.010939 | -0.004932 | 0.002210 | 0.004132 | 0.005394 | 0.006970 | 0.007145 | 0.000000 |
| 3678.232700 | -0.082616 | 0.208198 | -0.103627 | -0.017571 | 0.015148 | -0.006829 | 0.003060 | 0.005696 | 0.007303 | 0.008925 | 0.010427 | 0.000000 |
| 2139.549400 | -0.083320 | 0.192977 | -0.105747 | -0.018358 | 0.015692 | -0.007078 | 0.003171 | 0.005962 | 0.007948 | 0.010899 | 0.009646 | 0.000000 |
| 1288.453300 | -0.069083 | 0.168743 | -0.086326 | -0.014639 | 0.012633 | -0.005691 | 0.002550 | 0.004669 | 0.005572 | 0.005195 | 0.010216 | 0.000000 |
| 792.077180 | 0.001344 | 0.080543 | 0.015055 | 0.006967 | -0.004758 | 0.002152 | -0.000966 | -0.001629 | -0.001158 | 0.002248 | -0.007079 | 0.000000 |
| 484.699320 | 0.105666 | 0.045126 | 0.204211 | 0.056871 | -0.042582 | 0.019307 | -0.008658 | -0.016576 | -0.023505 | -0.037417 | -0.022246 | 0.000000 |
| 298.001270 | 0.207893 | -0.001153 | 0.464367 | 0.143115 | -0.105441 | 0.047837 | -0.021465 | -0.039489 | -0.047643 | -0.046265 | -0.086714 | 0.000000 |
| 186.739590 | 0.166684 | 0.021749 | 0.507898 | 0.179852 | -0.128932 | 0.058733 | -0.026360 | -0.050970 | -0.074255 | -0.124378 | -0.064380 | 0.000000 |
| 120.332380 | 0.115081 | -0.007742 | 0.266639 | 0.093773 | -0.069921 | 0.031991 | -0.014389 | -0.024286 | -0.017843 | 0.028834 | -0.089393 | 0.000000 |
| 75.850314 | 0.149627 | 0.005848 | -0.265450 | -0.239684 | 0.165516 | -0.077323 | 0.034907 | 0.061414 | 0.057642 | -0.011168 | 0.194246 | 0.000000 |
| 49.223121 | 0.233177 | -0.019310 | -0.633262 | -0.643082 | 0.460817 | -0.218580 | 0.098829 | 0.197070 | 0.301972 | 0.547173 | 0.328849 | 0.000000 |
| 30.979370 | 0.161012 | -0.001886 | -0.468840 | -0.534585 | 0.381221 | -0.180682 | 0.081780 | 0.144411 | 0.134198 | -0.044349 | 0.337078 | 0.000000 |
| 19.338986 | 0.041350 | -0.005823 | -0.069857 | 0.220695 | -0.179907 | 0.085218 | -0.038593 | -0.066068 | -0.026479 | 0.233595 | -0.396124 | 0.000000 |
| 11.909179 | -0.000171 | 0.003636 | 0.095554 | 0.808148 | -0.943066 | 0.533672 | -0.248970 | -0.520912 | -0.849336 | -1.754530 | -1.307500 | 0.000000 |
| 7.281087 | -0.001659 | -0.001593 | 0.064340 | 0.460214 | -0.746328 | 0.435520 | -0.203994 | -0.381344 | -0.328904 | 0.687601 | 0.159056 | 0.000000 |
| 4.523816 | -0.000361 | 0.001555 | 0.007947 | 0.082402 | 0.346181 | -0.278685 | 0.135422 | 0.305691 | 0.333002 | -1.092050 | -0.409115 | 0.000000 |
| 2.691479 | 0.000357 | -0.001042 | 0.002137 | 0.023452 | 0.843533 | -0.797531 | 0.407815 | 0.988531 | 1.906550 | 7.030410 | 11.418800 | 0.000000 |
| 1.643698 | 0.000086 | 0.000769 | -0.001719 | 0.004121 | 0.390442 | -0.518923 | 0.282040 | 0.890135 | 1.042450 | -6.211620 | -22.737000 | 0.000000 |
| 1.024666 | 0.000066 | -0.000528 | 0.000974 | 0.003090 | 0.080549 | 0.144393 | -0.104182 | -1.412580 | -4.423460 | -5.201650 | 14.456300 | 0.000000 |
| 0.608707 | -0.000015 | 0.000314 | -0.000621 | -0.001302 | 0.027477 | 0.586398 | -0.381293 | -1.324120 | -0.246179 | 9.203600 | 5.304290 | 0.000000 |
| 0.362155 | 0.000015 | -0.000187 | 0.000370 | 0.000520 | 0.020772 | 0.478676 | -0.419772 | 0.158522 | 3.077360 | -0.454222 | -12.207700 | 0.000000 |
| 0.212813 | -0.000005 | 0.000098 | -0.000195 | -0.000411 | 0.005576 | 0.134411 | -0.227441 | 0.887780 | 1.077270 | -4.647580 | 3.276230 | 0.000000 |
| 0.120510 | 0.000003 | -0.000045 | 0.000089 | 0.000156 | 0.001033 | 0.030450 | 0.085575 | 0.973936 | -1.975300 | 0.355733 | 5.055650 | 0.000000 |
| 0.064398 | -0.000001 | 0.000017 | -0.000035 | -0.000095 | 0.001006 | 0.081497 | 0.481466 | 0.037021 | -1.059220 | 2.492790 | -3.488620 | 0.000000 |
| 0.032841 | 0.000000 | -0.000006 | 0.000012 | -0.000011 | 0.001260 | 0.091702 | 0.546584 | -0.688247 | 0.789372 | -0.360101 | -1.113150 | 0.000000 |
| 0.016422 | -0.000000 | 0.000001 | -0.000002 | -0.000013 | 0.000293 | 0.022555 | 0.135205 | -0.308077 | 0.539606 | -0.824580 | 1.558160 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
| 