MOLPRO Basis Query, element=Nd, basis=cc-pwCVTZ-X2C, l=s
Basis Nd s cc-pwCVTZ-X2C
| Primitives | Contractions... |
|---|
| 72499500.000000 | 0.000283 | -0.000148 | 0.000083 | -0.000019 | 0.000010 | -0.000006 | -0.000009 | 0.000012 | -0.000016 | 0.000000 | 0.000000 | 0.000000 |
| 19056890.000000 | 0.000250 | -0.000131 | 0.000073 | -0.000017 | 0.000009 | -0.000005 | -0.000008 | 0.000011 | -0.000014 | 0.000000 | 0.000000 | 0.000000 |
| 6370555.000000 | 0.000731 | -0.000382 | 0.000214 | -0.000049 | 0.000027 | -0.000015 | -0.000023 | 0.000032 | -0.000041 | 0.000000 | 0.000000 | 0.000000 |
| 2339305.000000 | 0.001033 | -0.000541 | 0.000303 | -0.000070 | 0.000038 | -0.000021 | -0.000033 | 0.000045 | -0.000058 | 0.000000 | 0.000000 | 0.000000 |
| 923422.500000 | 0.002122 | -0.001113 | 0.000623 | -0.000144 | 0.000077 | -0.000043 | -0.000067 | 0.000092 | -0.000118 | 0.000000 | 0.000000 | 0.000000 |
| 381579.300000 | 0.003528 | -0.001854 | 0.001039 | -0.000241 | 0.000129 | -0.000072 | -0.000112 | 0.000154 | -0.000202 | 0.000000 | 0.000000 | 0.000000 |
| 164130.000000 | 0.006629 | -0.003496 | 0.001964 | -0.000456 | 0.000244 | -0.000136 | -0.000212 | 0.000290 | -0.000365 | 0.000000 | 0.000000 | 0.000000 |
| 73011.770000 | 0.011778 | -0.006247 | 0.003523 | -0.000819 | 0.000439 | -0.000245 | -0.000383 | 0.000523 | -0.000703 | 0.000000 | 0.000000 | 0.000000 |
| 33499.940000 | 0.021894 | -0.011709 | 0.006640 | -0.001545 | 0.000827 | -0.000461 | -0.000716 | 0.000983 | -0.001198 | 0.000000 | 0.000000 | 0.000000 |
| 15809.130000 | 0.039918 | -0.021625 | 0.012368 | -0.002888 | 0.001547 | -0.000863 | -0.001354 | 0.001849 | -0.002574 | 0.000000 | 0.000000 | 0.000000 |
| 7656.685000 | 0.072542 | -0.040160 | 0.023299 | -0.005463 | 0.002923 | -0.001628 | -0.002520 | 0.003467 | -0.004010 | 0.000000 | 0.000000 | 0.000000 |
| 3797.315000 | 0.125033 | -0.071828 | 0.042652 | -0.010089 | 0.005400 | -0.003014 | -0.004753 | 0.006476 | -0.009527 | 0.000000 | 0.000000 | 0.000000 |
| 1924.552000 | 0.195405 | -0.120100 | 0.074288 | -0.017801 | 0.009505 | -0.005290 | -0.008140 | 0.011248 | -0.011776 | 0.000000 | 0.000000 | 0.000000 |
| 994.948100 | 0.248678 | -0.171861 | 0.113397 | -0.027860 | 0.014879 | -0.008317 | -0.013260 | 0.017982 | -0.029707 | 0.000000 | 0.000000 | 0.000000 |
| 523.544500 | 0.218193 | -0.178915 | 0.128727 | -0.032609 | 0.017316 | -0.009604 | -0.014417 | 0.020270 | -0.011952 | 0.000000 | 0.000000 | 0.000000 |
| 279.395300 | 0.108817 | -0.058953 | 0.033794 | -0.008105 | 0.004424 | -0.002577 | -0.005248 | 0.006114 | -0.038128 | 0.000000 | 0.000000 | 0.000000 |
| 147.947400 | 0.060440 | 0.204339 | -0.270529 | 0.087193 | -0.046039 | 0.025955 | 0.043488 | -0.057946 | 0.141413 | 0.000000 | 0.000000 | 0.000000 |
| 80.587730 | 0.073391 | 0.353953 | -0.616604 | 0.227810 | -0.118894 | 0.066009 | 0.099283 | -0.143259 | 0.055707 | 0.000000 | 0.000000 | 0.000000 |
| 44.032320 | 0.044378 | 0.209334 | -0.450054 | 0.190132 | -0.101211 | 0.057830 | 0.102145 | -0.132600 | 0.433828 | 0.000000 | 0.000000 | 0.000000 |
| 23.160820 | 0.025434 | 0.154652 | 0.361876 | -0.266360 | 0.144132 | -0.083840 | -0.157002 | 0.203799 | -0.829159 | 0.000000 | 0.000000 | 0.000000 |
| 13.174240 | 0.029561 | 0.195678 | 0.750893 | -0.791918 | 0.444029 | -0.251859 | -0.403909 | 0.672436 | -0.037087 | 0.000000 | 0.000000 | 0.000000 |
| 7.309743 | 0.011435 | 0.075602 | 0.280715 | -0.229608 | 0.122976 | -0.075806 | -0.159623 | 0.082091 | -1.550600 | 0.000000 | 0.000000 | 0.000000 |
| 3.835859 | 0.000321 | 0.001227 | -0.022809 | 0.762636 | -0.551928 | 0.346711 | 0.850331 | -1.491270 | 5.940230 | 0.000000 | 0.000000 | 0.000000 |
| 2.031917 | -0.000262 | -0.002395 | -0.032748 | 0.575428 | -0.660535 | 0.426841 | 0.717949 | -0.811646 | -5.611480 | 0.000000 | 0.000000 | 0.000000 |
| 0.930449 | -0.000062 | -0.000511 | -0.004442 | 0.088284 | 0.182397 | -0.133817 | -1.362770 | 4.666110 | -0.992302 | 0.000000 | 0.000000 | 0.000000 |
| 0.488817 | -0.000003 | -0.000056 | -0.001689 | 0.065195 | 0.671680 | -0.619215 | -1.143160 | -3.465670 | 6.423570 | 0.000000 | 0.000000 | 0.000000 |
| 0.237093 | -0.000011 | -0.000095 | -0.000901 | 0.029977 | 0.246664 | -0.384252 | 1.618630 | -0.516127 | -5.469080 | 0.000000 | 0.000000 | 0.000000 |
| 0.061171 | 0.000000 | 0.000001 | -0.000119 | 0.006728 | 0.168389 | 0.496401 | 1.099350 | 2.822650 | 3.089730 | 0.000000 | 0.000000 | 0.000000 |
| 0.031932 | -0.000002 | -0.000018 | -0.000127 | 0.006077 | 0.153102 | 0.498882 | -1.233320 | -1.868660 | -1.265110 | 0.000000 | 0.000000 | 0.000000 |
| 0.015956 | 0.000000 | -0.000000 | -0.000036 | 0.002027 | 0.052967 | 0.164781 | -0.180959 | -0.203188 | -0.393408 | 1.000000 | 0.000000 | 0.000000 |
| 9.194352 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 5.781139 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: Q. Lu and K.A. Peterson, J. Chem. Phys. 145, 054111 (2016)