MOLPRO Basis Query, element=Zr, basis=AWCVTZ-DK, l=s
Basis Zr s AWCVTZ-DK
Primitives | Contractions... |
137465000.000000 | 0.000039 | -0.000021 | 0.000006 | -0.000002 | 0.000001 | 0.000001 | 0.000002 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
21983900.000000 | 0.000102 | -0.000056 | 0.000015 | -0.000006 | 0.000002 | 0.000003 | 0.000004 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
4663660.000000 | 0.000283 | -0.000154 | 0.000043 | -0.000016 | 0.000004 | 0.000008 | 0.000012 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1230450.000000 | 0.000653 | -0.000355 | 0.000099 | -0.000037 | 0.000010 | 0.000018 | 0.000027 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
382971.000000 | 0.001417 | -0.000772 | 0.000215 | -0.000080 | 0.000022 | 0.000039 | 0.000058 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
134784.000000 | 0.002929 | -0.001599 | 0.000447 | -0.000166 | 0.000046 | 0.000081 | 0.000118 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
51894.200000 | 0.006014 | -0.003296 | 0.000925 | -0.000343 | 0.000094 | 0.000171 | 0.000254 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
21319.800000 | 0.012435 | -0.006857 | 0.001930 | -0.000716 | 0.000197 | 0.000347 | 0.000500 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
9179.920000 | 0.026199 | -0.014608 | 0.004153 | -0.001538 | 0.000423 | 0.000777 | 0.001171 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
4092.810000 | 0.055464 | -0.031519 | 0.009071 | -0.003362 | 0.000927 | 0.001605 | 0.002282 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1875.390000 | 0.113289 | -0.066879 | 0.019828 | -0.007328 | 0.002018 | 0.003757 | 0.005740 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
879.674000 | 0.205198 | -0.130468 | 0.040530 | -0.015004 | 0.004142 | 0.007036 | 0.009809 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
421.703000 | 0.286104 | -0.212031 | 0.072448 | -0.026712 | 0.007360 | 0.014137 | 0.022216 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
206.513000 | 0.240114 | -0.229569 | 0.088422 | -0.032915 | 0.009119 | 0.013974 | 0.017217 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
103.264000 | 0.094379 | -0.048005 | 0.015067 | -0.005423 | 0.001443 | 0.008252 | 0.020372 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
52.640300 | 0.070684 | 0.345762 | -0.242861 | 0.094262 | -0.026146 | -0.060027 | -0.108096 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
27.249800 | 0.093767 | 0.520904 | -0.497424 | 0.211200 | -0.059649 | -0.080580 | -0.084613 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
14.219300 | 0.039626 | 0.224490 | -0.233507 | 0.097433 | -0.027077 | -0.103214 | -0.226453 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
7.390030 | 0.010375 | 0.037826 | 0.485421 | -0.257754 | 0.074124 | 0.239263 | 0.521330 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
3.757850 | 0.008367 | 0.020208 | 0.702017 | -0.643729 | 0.205178 | 0.218895 | 0.138069 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
1.823910 | 0.001955 | 0.004371 | 0.163135 | -0.121134 | 0.031696 | 0.360608 | 0.885217 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.872074 | -0.000059 | -0.000177 | 0.001655 | 0.766070 | -0.307969 | -1.333999 | -3.709192 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.396584 | 0.000013 | -0.000013 | 0.003001 | 0.547913 | -0.384229 | 0.056225 | 3.475697 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.104533 | -0.000011 | -0.000023 | -0.000362 | 0.043377 | 0.224379 | 2.598673 | -0.266610 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.055685 | 0.000008 | 0.000014 | 0.000295 | -0.016679 | 0.652652 | -1.590164 | -2.271272 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
0.024962 | -0.000002 | -0.000004 | -0.000081 | 0.004758 | 0.318942 | -0.554343 | 1.833948 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
2.119200 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
0.488800 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
0.011200 | 0.000000 | 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)