MOLPRO Basis Query, element=Nb, basis=cc-pwCVTZ-DK, l=s
Basis Nb s cc-pwCVTZ-DK
Primitives | Contractions... |
148730000.000000 | 0.000041 | -0.000020 | 0.000006 | -0.000002 | 0.000001 | 0.000001 | 0.000002 | 0.000000 | 0.000000 | 0.000000 |
23767800.000000 | 0.000107 | -0.000053 | 0.000016 | -0.000006 | 0.000002 | 0.000003 | 0.000005 | 0.000000 | 0.000000 | 0.000000 |
5046420.000000 | 0.000294 | -0.000146 | 0.000044 | -0.000017 | 0.000005 | 0.000009 | 0.000013 | 0.000000 | 0.000000 | 0.000000 |
1333380.000000 | 0.000675 | -0.000334 | 0.000101 | -0.000038 | 0.000011 | 0.000020 | 0.000029 | 0.000000 | 0.000000 | 0.000000 |
415571.000000 | 0.001459 | -0.000724 | 0.000218 | -0.000083 | 0.000023 | 0.000042 | 0.000064 | 0.000000 | 0.000000 | 0.000000 |
146370.000000 | 0.003002 | -0.001493 | 0.000451 | -0.000172 | 0.000047 | 0.000087 | 0.000130 | 0.000000 | 0.000000 | 0.000000 |
56350.800000 | 0.006133 | -0.003063 | 0.000928 | -0.000354 | 0.000097 | 0.000182 | 0.000275 | 0.000000 | 0.000000 | 0.000000 |
23127.900000 | 0.012621 | -0.006344 | 0.001929 | -0.000735 | 0.000203 | 0.000367 | 0.000545 | 0.000000 | 0.000000 | 0.000000 |
9940.250000 | 0.026474 | -0.013464 | 0.004130 | -0.001572 | 0.000433 | 0.000821 | 0.001251 | 0.000000 | 0.000000 | 0.000000 |
4420.810000 | 0.055898 | -0.028999 | 0.008992 | -0.003426 | 0.000945 | 0.001686 | 0.002479 | 0.000000 | 0.000000 | 0.000000 |
2019.880000 | 0.114269 | -0.061664 | 0.019640 | -0.007462 | 0.002056 | 0.003957 | 0.006080 | 0.000000 | 0.000000 | 0.000000 |
944.690000 | 0.208104 | -0.121213 | 0.040234 | -0.015302 | 0.004222 | 0.007385 | 0.010737 | 0.000000 | 0.000000 | 0.000000 |
451.681000 | 0.293616 | -0.199881 | 0.072270 | -0.027368 | 0.007548 | 0.015009 | 0.023484 | 0.000000 | 0.000000 | 0.000000 |
220.749000 | 0.251750 | -0.221468 | 0.089150 | -0.034037 | 0.009417 | 0.014787 | 0.020045 | 0.000000 | 0.000000 | 0.000000 |
110.262000 | 0.098811 | -0.049001 | 0.017352 | -0.006479 | 0.001769 | 0.009626 | 0.019952 | 0.000000 | 0.000000 | 0.000000 |
56.209100 | 0.056598 | 0.342559 | -0.240257 | 0.095611 | -0.026617 | -0.064122 | -0.110206 | 0.000000 | 0.000000 | 0.000000 |
29.133600 | 0.073003 | 0.525247 | -0.499128 | 0.217036 | -0.061200 | -0.083392 | -0.105559 | 0.000000 | 0.000000 | 0.000000 |
15.239400 | 0.031321 | 0.231616 | -0.244827 | 0.105895 | -0.029871 | -0.117596 | -0.224470 | 0.000000 | 0.000000 | 0.000000 |
7.947300 | 0.009303 | 0.039105 | 0.481572 | -0.263933 | 0.076817 | 0.263985 | 0.522932 | 0.000000 | 0.000000 | 0.000000 |
4.057290 | 0.007985 | 0.019974 | 0.709962 | -0.671568 | 0.214028 | 0.226025 | 0.265240 | 0.000000 | 0.000000 | 0.000000 |
1.976880 | 0.001886 | 0.004317 | 0.165066 | -0.108561 | 0.028521 | 0.397744 | 0.712025 | 0.000000 | 0.000000 | 0.000000 |
0.952143 | -0.000061 | -0.000231 | 0.001699 | 0.784952 | -0.324564 | -1.494616 | -3.759296 | 0.000000 | 0.000000 | 0.000000 |
0.433649 | 0.000010 | -0.000046 | 0.002762 | 0.534275 | -0.370009 | 0.229777 | 3.765610 | 0.000000 | 0.000000 | 0.000000 |
0.114589 | -0.000010 | -0.000023 | -0.000321 | 0.039764 | 0.258760 | 2.437208 | -1.002718 | 0.000000 | 0.000000 | 0.000000 |
0.058442 | 0.000007 | 0.000013 | 0.000251 | -0.014421 | 0.644105 | -1.573837 | -1.436988 | 0.000000 | 0.000000 | 0.000000 |
0.026171 | -0.000002 | -0.000004 | -0.000074 | 0.004344 | 0.295358 | -0.469541 | 1.547221 | 1.000000 | 0.000000 | 0.000000 |
2.367400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.576000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: K. A. Peterson, D. Figgen, M. Dolg, and H. Stoll, J. Chem. Phys. 126, 124101 (2007)