MOLPRO Basis Query, element=Yb, basis=cc-pwCVTZ-DK3, l=p
Basis Yb p cc-pwCVTZ-DK3
Primitives | Contractions... |
19107950.000000 | 0.000013 | -0.000011 | 0.000003 | -0.000001 | 0.000000 | 0.000001 | -0.000002 | 0.000003 | 0.000000 | 0.000000 | 0.000000 |
3501186.000000 | 0.000035 | -0.000030 | 0.000009 | -0.000004 | 0.000001 | 0.000003 | -0.000005 | 0.000007 | 0.000000 | 0.000000 | 0.000000 |
815886.000000 | 0.000104 | -0.000087 | 0.000025 | -0.000011 | 0.000002 | 0.000009 | -0.000014 | 0.000021 | 0.000000 | 0.000000 | 0.000000 |
220989.900000 | 0.000289 | -0.000241 | 0.000070 | -0.000030 | 0.000006 | 0.000026 | -0.000040 | 0.000059 | 0.000000 | 0.000000 | 0.000000 |
67204.630000 | 0.000821 | -0.000687 | 0.000199 | -0.000087 | 0.000018 | 0.000074 | -0.000114 | 0.000170 | 0.000000 | 0.000000 | 0.000000 |
22575.620000 | 0.002378 | -0.001998 | 0.000580 | -0.000253 | 0.000052 | 0.000217 | -0.000329 | 0.000485 | 0.000000 | 0.000000 | 0.000000 |
8318.935000 | 0.007002 | -0.005918 | 0.001725 | -0.000752 | 0.000154 | 0.000644 | -0.000986 | 0.001488 | 0.000000 | 0.000000 | 0.000000 |
3337.514000 | 0.020368 | -0.017390 | 0.005102 | -0.002221 | 0.000456 | 0.001907 | -0.002894 | 0.004232 | 0.000000 | 0.000000 | 0.000000 |
1441.254000 | 0.055953 | -0.048665 | 0.014471 | -0.006306 | 0.001293 | 0.005396 | -0.008292 | 0.012608 | 0.000000 | 0.000000 | 0.000000 |
661.327500 | 0.133587 | -0.119884 | 0.036382 | -0.015827 | 0.003249 | 0.013611 | -0.020626 | 0.029962 | 0.000000 | 0.000000 | 0.000000 |
318.090800 | 0.248827 | -0.233754 | 0.073247 | -0.031902 | 0.006546 | 0.027299 | -0.042223 | 0.065438 | 0.000000 | 0.000000 | 0.000000 |
158.751200 | 0.307036 | -0.293494 | 0.092719 | -0.040239 | 0.008271 | 0.034836 | -0.052001 | 0.071447 | 0.000000 | 0.000000 | 0.000000 |
81.440720 | 0.216941 | -0.079598 | -0.005990 | 0.002454 | -0.000571 | -0.003141 | 0.002380 | 0.009408 | 0.000000 | 0.000000 | 0.000000 |
42.407510 | 0.135048 | 0.371799 | -0.259923 | 0.115490 | -0.023928 | -0.101219 | 0.166850 | -0.294842 | 0.000000 | 0.000000 | 0.000000 |
22.750130 | 0.116684 | 0.519688 | -0.384078 | 0.170402 | -0.035628 | -0.156178 | 0.239528 | -0.353613 | 0.000000 | 0.000000 | 0.000000 |
12.151890 | 0.044816 | 0.196263 | 0.080872 | -0.055769 | 0.012833 | 0.073603 | -0.132218 | 0.265409 | 1.000000 | 0.000000 | 0.000000 |
6.321852 | 0.001730 | -0.008333 | 0.594619 | -0.334975 | 0.073144 | 0.332147 | -0.676546 | 1.656690 | 0.000000 | 0.000000 | 0.000000 |
3.237693 | -0.001503 | -0.018811 | 0.433396 | -0.264465 | 0.059742 | 0.260659 | -0.072428 | -1.889610 | 0.000000 | 0.000000 | 0.000000 |
1.531876 | -0.000364 | -0.003821 | 0.084121 | 0.214410 | -0.062648 | -0.646946 | 1.391000 | -0.766597 | 0.000000 | 0.000000 | 0.000000 |
0.740328 | -0.000003 | -0.000310 | 0.020119 | 0.549827 | -0.154308 | -0.444208 | -0.288137 | 2.682460 | 0.000000 | 0.000000 | 0.000000 |
0.347615 | -0.000046 | -0.000460 | 0.016076 | 0.379684 | -0.163152 | 0.323601 | -1.206920 | -1.739950 | 0.000000 | 0.000000 | 0.000000 |
0.147220 | 0.000004 | -0.000003 | 0.001967 | 0.066198 | 0.120278 | 0.578561 | 0.498087 | -0.222506 | 0.000000 | 0.000000 | 0.000000 |
0.057913 | -0.000003 | -0.000020 | 0.000201 | 0.000295 | 0.618610 | 0.284930 | 0.582274 | 0.719924 | 0.000000 | 0.000000 | 0.000000 |
0.022664 | 0.000001 | 0.000005 | -0.000026 | 0.000893 | 0.406322 | -0.000520 | -0.008617 | -0.014840 | 0.000000 | 1.000000 | 0.000000 |
8.570091 | 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)
|