MOLPRO Basis Query, element=Ni, basis=aug-cc-pwCVTZ-DK, l=s
Basis Ni s aug-cc-pwCVTZ-DK
Primitives | Contractions... |
5045991.000000 | 0.000157 | -0.000071 | 0.000019 | -0.000004 | -0.000008 | -0.000014 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
755614.200000 | 0.000453 | -0.000206 | 0.000054 | -0.000011 | -0.000023 | -0.000041 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
171956.800000 | 0.001237 | -0.000562 | 0.000148 | -0.000031 | -0.000062 | -0.000112 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
48704.790000 | 0.003165 | -0.001442 | 0.000381 | -0.000081 | -0.000163 | -0.000293 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
15888.410000 | 0.008095 | -0.003706 | 0.000981 | -0.000208 | -0.000408 | -0.000734 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
5735.123000 | 0.020804 | -0.009611 | 0.002559 | -0.000543 | -0.001112 | -0.001996 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
2236.137000 | 0.052534 | -0.024736 | 0.006641 | -0.001408 | -0.002709 | -0.004885 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
926.646800 | 0.122129 | -0.059903 | 0.016460 | -0.003493 | -0.007309 | -0.013108 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
403.174300 | 0.237639 | -0.127386 | 0.036419 | -0.007733 | -0.014465 | -0.026222 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
182.347600 | 0.330312 | -0.214181 | 0.066732 | -0.014223 | -0.031182 | -0.055952 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
84.548850 | 0.245914 | -0.218324 | 0.075739 | -0.016181 | -0.025835 | -0.048098 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
38.396340 | 0.072276 | 0.052598 | -0.027510 | 0.005841 | -0.005347 | -0.007457 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
18.458590 | 0.063512 | 0.524932 | -0.319046 | 0.071579 | 0.186015 | 0.340392 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
8.863548 | 0.061884 | 0.488007 | -0.444919 | 0.103737 | 0.154658 | 0.396756 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.916227 | 0.009400 | 0.082484 | 0.172422 | -0.048315 | 0.011497 | -0.381492 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.838870 | -0.000219 | -0.006795 | 0.715572 | -0.219304 | -0.944566 | -1.991380 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.804362 | -0.000079 | -0.000643 | 0.379172 | -0.220817 | 0.334310 | 2.535279 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.169797 | -0.000005 | -0.000492 | 0.019936 | 0.286970 | 1.641871 | -0.432580 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.079306 | 0.000003 | 0.000354 | -0.007476 | 0.559980 | -0.739998 | -1.486952 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.034677 | 0.000000 | -0.000106 | 0.003271 | 0.299401 | -0.753247 | 1.411511 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
5.833000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
1.523100 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.015160 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005)