MOLPRO Basis Query, element=No, basis=cc-pVTZ-DK3, l=s
Basis No s cc-pVTZ-DK3
| Primitives | Contractions... |
|---|
| 54887332.000000 | 0.003761 | -0.001551 | 0.001564 | -0.000214 | 0.000239 | -0.000108 | 0.000039 | 0.000087 | -0.000121 | -0.000155 | 0.000000 |
| 14604438.000000 | 0.003074 | -0.001266 | 0.001277 | -0.000174 | 0.000195 | -0.000088 | 0.000032 | 0.000071 | -0.000099 | -0.000126 | 0.000000 |
| 4983940.300000 | 0.008916 | -0.003679 | 0.003713 | -0.000507 | 0.000567 | -0.000256 | 0.000093 | 0.000207 | -0.000287 | -0.000368 | 0.000000 |
| 1886983.700000 | 0.010320 | -0.004266 | 0.004308 | -0.000589 | 0.000658 | -0.000298 | 0.000108 | 0.000241 | -0.000333 | -0.000427 | 0.000000 |
| 784491.640000 | 0.020275 | -0.008420 | 0.008513 | -0.001167 | 0.001303 | -0.000589 | 0.000213 | 0.000476 | -0.000660 | -0.000844 | 0.000000 |
| 346468.750000 | 0.025773 | -0.010777 | 0.010919 | -0.001501 | 0.001674 | -0.000757 | 0.000274 | 0.000612 | -0.000848 | -0.001087 | 0.000000 |
| 162126.780000 | 0.043157 | -0.018216 | 0.018505 | -0.002555 | 0.002843 | -0.001285 | 0.000465 | 0.001038 | -0.001439 | -0.001838 | 0.000000 |
| 79398.120000 | 0.055352 | -0.023721 | 0.024206 | -0.003364 | 0.003733 | -0.001688 | 0.000611 | 0.001369 | -0.001893 | -0.002434 | 0.000000 |
| 40593.880000 | 0.084576 | -0.036897 | 0.037851 | -0.005301 | 0.005863 | -0.002649 | 0.000959 | 0.002133 | -0.002963 | -0.003767 | 0.000000 |
| 21466.830000 | 0.106231 | -0.047709 | 0.049354 | -0.006995 | 0.007701 | -0.003482 | 0.001262 | 0.002841 | -0.003916 | -0.005081 | 0.000000 |
| 11662.732000 | 0.149939 | -0.069561 | 0.072665 | -0.010449 | 0.011426 | -0.005161 | 0.001867 | 0.004118 | -0.005752 | -0.007208 | 0.000000 |
| 6458.560900 | 0.174255 | -0.084955 | 0.090012 | -0.013198 | 0.014332 | -0.006485 | 0.002354 | 0.005377 | -0.007345 | -0.009766 | 0.000000 |
| 3631.854100 | 0.204607 | -0.103744 | 0.111192 | -0.016583 | 0.017846 | -0.008049 | 0.002904 | 0.006226 | -0.008861 | -0.010556 | 0.000000 |
| 2068.051200 | 0.172315 | -0.084951 | 0.089173 | -0.012802 | 0.014068 | -0.006395 | 0.002343 | 0.005800 | -0.007523 | -0.011375 | 0.000000 |
| 1193.814200 | 0.124017 | -0.024752 | 0.005669 | 0.004109 | -0.002343 | 0.001151 | -0.000480 | -0.002329 | 0.002120 | 0.006634 | 0.000000 |
| 701.114570 | 0.044464 | 0.105460 | -0.202252 | 0.052854 | -0.046675 | 0.020958 | -0.007458 | -0.013957 | 0.021953 | 0.019754 | 0.000000 |
| 424.816000 | 0.039352 | 0.193364 | -0.427536 | 0.124345 | -0.108187 | 0.049539 | -0.018282 | -0.046815 | 0.059793 | 0.095695 | 0.000000 |
| 263.492080 | 0.016778 | 0.194778 | -0.529756 | 0.173844 | -0.145305 | 0.065312 | -0.023108 | -0.041072 | 0.067425 | 0.053052 | 0.000000 |
| 163.822640 | 0.022970 | 0.121157 | -0.270564 | 0.084942 | -0.076402 | 0.036489 | -0.014277 | -0.049988 | 0.052795 | 0.126441 | 0.000000 |
| 100.044580 | -0.002637 | 0.176547 | 0.345760 | -0.304929 | 0.243706 | -0.117416 | 0.044549 | 0.129514 | -0.154546 | -0.296643 | 0.000000 |
| 61.818784 | 0.003889 | 0.231033 | 0.717598 | -0.727833 | 0.586563 | -0.276108 | 0.098474 | 0.186767 | -0.316951 | -0.329116 | 0.000000 |
| 37.488165 | -0.003193 | 0.133652 | 0.395640 | -0.369604 | 0.312091 | -0.158696 | 0.061899 | 0.192534 | -0.196121 | -0.359210 | 0.000000 |
| 21.374202 | 0.003167 | 0.019720 | -0.042083 | 0.622886 | -0.704445 | 0.393497 | -0.152712 | -0.462852 | 0.604037 | 1.196920 | 0.000000 |
| 12.968486 | 0.000107 | 0.000387 | -0.122007 | 0.731408 | -1.210670 | 0.735736 | -0.270787 | -0.502480 | 0.853520 | 0.641447 | 0.000000 |
| 7.643437 | 0.001177 | 0.000108 | -0.027911 | 0.200969 | 0.051034 | -0.114152 | 0.036194 | -0.096509 | -0.042135 | 0.583853 | 0.000000 |
| 4.402142 | -0.000416 | 0.000339 | -0.002764 | 0.044776 | 0.993390 | -0.970628 | 0.409762 | 1.572440 | -2.793680 | -7.433980 | 0.000000 |
| 2.478742 | 0.000211 | 0.000097 | 0.000370 | 0.018886 | 0.487821 | -0.565461 | 0.222659 | 0.060496 | 0.744277 | 9.356490 | 0.000000 |
| 1.261614 | -0.000091 | 0.000038 | -0.000246 | 0.001695 | 0.060360 | 0.484012 | -0.216733 | -1.478100 | 3.930830 | -2.493530 | 0.000000 |
| 0.655038 | 0.000042 | -0.000008 | 0.000083 | 0.000370 | 0.022230 | 0.732503 | -0.480587 | -0.722115 | -3.232160 | -4.516250 | 0.000000 |
| 0.325959 | -0.000014 | 0.000005 | -0.000043 | 0.000107 | 0.007916 | 0.231647 | -0.235174 | 1.373370 | -0.538693 | 4.815740 | 0.000000 |
| 0.094084 | 0.000005 | -0.000001 | 0.000011 | 0.000007 | 0.000723 | 0.058954 | 0.457230 | 0.987588 | 2.216500 | -1.960540 | 0.000000 |
| 0.045343 | -0.000003 | 0.000001 | -0.000008 | -0.000002 | 0.000712 | 0.062337 | 0.571203 | -0.887945 | -0.897773 | -0.149755 | 0.000000 |
| 0.021175 | 0.000001 | -0.000000 | 0.000002 | 0.000001 | 0.000220 | 0.020116 | 0.176427 | -0.381355 | -0.563795 | 0.865806 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
| 