MOLPRO Basis Query, element=Yb, basis=cc-pwCVTZ-X2C, l=d
Basis Yb d cc-pwCVTZ-X2C
Primitives | Contractions... |
14110.360000 | 0.000097 | -0.000045 | 0.000010 | 0.000020 | 0.000028 | -0.000037 | 0.000000 | 0.000000 | 0.000000 |
3607.728000 | 0.000764 | -0.000359 | 0.000077 | 0.000165 | 0.000257 | -0.000233 | 0.000000 | 0.000000 | 0.000000 |
1274.854000 | 0.004388 | -0.002072 | 0.000443 | 0.000905 | 0.001259 | -0.001709 | 0.000000 | 0.000000 | 0.000000 |
532.123300 | 0.019556 | -0.009311 | 0.002000 | 0.004274 | 0.006603 | -0.006125 | 0.000000 | 0.000000 | 0.000000 |
245.425600 | 0.067039 | -0.032310 | 0.006932 | 0.014153 | 0.019795 | -0.026665 | 0.000000 | 0.000000 | 0.000000 |
120.800400 | 0.173140 | -0.085104 | 0.018355 | 0.039332 | 0.061261 | -0.055335 | 0.000000 | 0.000000 | 0.000000 |
61.985870 | 0.314366 | -0.152783 | 0.032780 | 0.066397 | 0.089660 | -0.133342 | 0.000000 | 0.000000 | 0.000000 |
32.638310 | 0.367772 | -0.158521 | 0.033723 | 0.077448 | 0.140400 | -0.094397 | 0.000000 | 0.000000 | 0.000000 |
17.382580 | 0.221705 | 0.043192 | -0.015206 | -0.046823 | -0.119905 | -0.016564 | 1.000000 | 0.000000 | 0.000000 |
9.107660 | 0.049627 | 0.363443 | -0.090414 | -0.177853 | -0.311936 | 0.958031 | 0.000000 | 1.000000 | 0.000000 |
4.641268 | -0.002127 | 0.459115 | -0.114312 | -0.315725 | -0.554939 | -0.499431 | 0.000000 | 0.000000 | 0.000000 |
2.271254 | -0.002553 | 0.244823 | -0.004238 | 0.164797 | 1.323450 | -1.209420 | 0.000000 | 0.000000 | 0.000000 |
0.988890 | -0.000489 | 0.041064 | 0.231624 | 0.834145 | -0.171193 | 1.929450 | 0.000000 | 0.000000 | 0.000000 |
0.399055 | 0.000035 | 0.000150 | 0.431093 | -0.061097 | -0.957452 | -1.362280 | 0.000000 | 0.000000 | 0.000000 |
0.149807 | -0.000013 | 0.000702 | 0.422971 | -0.537605 | 0.566534 | 0.201527 | 0.000000 | 0.000000 | 0.000000 |
0.052100 | 0.000006 | -0.000133 | 0.170095 | -0.203530 | 0.230544 | 0.458901 | 0.000000 | 0.000000 | 1.000000 |
Comment: Q. Lu and K.A. Peterson, J. Chem. Phys. 145, 054111 (2016)
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