MOLPRO Basis Query, element=Np, basis=cc-pVDZ-X2C, l=p
Basis Np p cc-pVDZ-X2C
Primitives | Contractions... |
27292794.000000 | 0.000025 | -0.000030 | 0.000003 | -0.000004 | 0.000002 | -0.000000 | -0.000001 | 0.000000 |
5821280.300000 | 0.000057 | -0.000069 | 0.000007 | -0.000010 | 0.000004 | -0.000001 | -0.000003 | 0.000000 |
1474318.400000 | 0.000170 | -0.000207 | 0.000022 | -0.000030 | 0.000013 | -0.000003 | -0.000009 | 0.000000 |
418094.690000 | 0.000452 | -0.000551 | 0.000059 | -0.000079 | 0.000035 | -0.000008 | -0.000024 | 0.000000 |
129498.930000 | 0.001232 | -0.001507 | 0.000161 | -0.000216 | 0.000097 | -0.000023 | -0.000066 | 0.000000 |
43259.841000 | 0.003365 | -0.004133 | 0.000446 | -0.000595 | 0.000267 | -0.000064 | -0.000182 | 0.000000 |
15517.959000 | 0.009336 | -0.011554 | 0.001270 | -0.001671 | 0.000751 | -0.000179 | -0.000514 | 0.000000 |
5974.353000 | 0.025661 | -0.032148 | 0.003608 | -0.004702 | 0.002111 | -0.000502 | -0.001440 | 0.000000 |
2462.995900 | 0.066610 | -0.085343 | 0.010041 | -0.012680 | 0.005697 | -0.001358 | -0.003901 | 0.000000 |
1079.825900 | 0.149006 | -0.197670 | 0.024612 | -0.030217 | 0.013557 | -0.003224 | -0.009237 | 0.000000 |
497.821020 | 0.249800 | -0.346559 | 0.046978 | -0.054623 | 0.024546 | -0.005858 | -0.016859 | 0.000000 |
238.776320 | 0.261042 | -0.312660 | 0.028963 | -0.042861 | 0.019162 | -0.004526 | -0.012857 | 0.000000 |
117.391850 | 0.203877 | 0.162402 | -0.139213 | 0.092882 | -0.041578 | 0.009854 | 0.028059 | 0.000000 |
59.914566 | 0.218924 | 0.627281 | -0.387139 | 0.269770 | -0.122357 | 0.029489 | 0.085904 | 0.000000 |
30.964836 | 0.122823 | 0.330887 | -0.050610 | 0.039162 | -0.014209 | 0.002810 | 0.005655 | 0.000000 |
15.562509 | 0.011937 | -0.102857 | 0.655621 | -0.566603 | 0.274637 | -0.065961 | -0.189800 | 0.000000 |
8.032197 | -0.001524 | -0.106608 | 0.485927 | -0.366392 | 0.178924 | -0.045096 | -0.134472 | 0.000000 |
3.750574 | -0.000224 | -0.009006 | 0.058665 | 0.666215 | -0.482797 | 0.128627 | 0.406987 | 0.000000 |
1.816437 | 0.000269 | 0.003333 | -0.001846 | 0.566680 | -0.362199 | 0.090768 | 0.262597 | 0.000000 |
0.685100 | -0.000019 | 0.000185 | 0.000971 | 0.078692 | 0.569894 | -0.188362 | -0.963876 | 0.000000 |
0.287768 | 0.000019 | 0.000086 | -0.000237 | 0.015952 | 0.603852 | -0.269279 | 0.164752 | 0.000000 |
0.084285 | -0.000005 | -0.000007 | 0.000123 | 0.004326 | 0.074729 | 0.334004 | 0.868464 | 0.000000 |
0.029225 | 0.000002 | 0.000003 | -0.000038 | -0.000879 | -0.008506 | 0.798343 | 0.095434 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)
|