MOLPRO Basis Query, element=U, basis=cc-pwCVQZ-X2C, l=p
Basis U p cc-pwCVQZ-X2C
| Primitives | Contractions... |
|---|
| 78339499.000000 | 0.000010 | -0.000012 | 0.000001 | -0.000002 | 0.000001 | -0.000000 | -0.000001 | -0.000001 | -0.000001 | 0.000001 | 0.000000 | 0.000000 | 0.000000 |
| 29808990.000000 | 0.000004 | -0.000005 | 0.000001 | -0.000001 | 0.000000 | -0.000000 | -0.000000 | -0.000000 | -0.000001 | 0.000001 | 0.000000 | 0.000000 | 0.000000 |
| 11443420.000000 | 0.000028 | -0.000034 | 0.000004 | -0.000005 | 0.000002 | -0.000000 | -0.000001 | -0.000002 | -0.000003 | 0.000004 | 0.000000 | 0.000000 | 0.000000 |
| 4581199.800000 | 0.000036 | -0.000044 | 0.000005 | -0.000006 | 0.000003 | -0.000001 | -0.000002 | -0.000003 | -0.000004 | 0.000005 | 0.000000 | 0.000000 | 0.000000 |
| 1897246.000000 | 0.000091 | -0.000111 | 0.000012 | -0.000016 | 0.000007 | -0.000002 | -0.000005 | -0.000008 | -0.000011 | 0.000012 | 0.000000 | 0.000000 | 0.000000 |
| 809797.420000 | 0.000161 | -0.000195 | 0.000022 | -0.000028 | 0.000012 | -0.000003 | -0.000008 | -0.000014 | -0.000019 | 0.000022 | 0.000000 | 0.000000 | 0.000000 |
| 355067.410000 | 0.000340 | -0.000413 | 0.000046 | -0.000059 | 0.000026 | -0.000006 | -0.000018 | -0.000029 | -0.000041 | 0.000047 | 0.000000 | 0.000000 | 0.000000 |
| 159603.260000 | 0.000661 | -0.000803 | 0.000090 | -0.000114 | 0.000051 | -0.000012 | -0.000034 | -0.000056 | -0.000078 | 0.000089 | 0.000000 | 0.000000 | 0.000000 |
| 73450.101000 | 0.001370 | -0.001669 | 0.000187 | -0.000238 | 0.000107 | -0.000025 | -0.000072 | -0.000118 | -0.000169 | 0.000191 | 0.000000 | 0.000000 | 0.000000 |
| 34594.867000 | 0.002818 | -0.003446 | 0.000389 | -0.000492 | 0.000221 | -0.000051 | -0.000148 | -0.000242 | -0.000334 | 0.000383 | 0.000000 | 0.000000 | 0.000000 |
| 16686.687000 | 0.005980 | -0.007350 | 0.000838 | -0.001055 | 0.000473 | -0.000110 | -0.000317 | -0.000524 | -0.000758 | 0.000855 | 0.000000 | 0.000000 | 0.000000 |
| 8256.416400 | 0.012711 | -0.015751 | 0.001824 | -0.002274 | 0.001018 | -0.000238 | -0.000683 | -0.001113 | -0.001525 | 0.001756 | 0.000000 | 0.000000 | 0.000000 |
| 4196.778400 | 0.026922 | -0.033756 | 0.003998 | -0.004923 | 0.002205 | -0.000515 | -0.001481 | -0.002452 | -0.003579 | 0.004027 | 0.000000 | 0.000000 | 0.000000 |
| 2191.894200 | 0.054827 | -0.070049 | 0.008581 | -0.010354 | 0.004635 | -0.001082 | -0.003107 | -0.005054 | -0.006842 | 0.007920 | 0.000000 | 0.000000 | 0.000000 |
| 1174.828300 | 0.102761 | -0.134810 | 0.017301 | -0.020357 | 0.009119 | -0.002129 | -0.006129 | -0.010184 | -0.015108 | 0.016927 | 0.000000 | 0.000000 | 0.000000 |
| 644.614780 | 0.165616 | -0.224979 | 0.030567 | -0.034814 | 0.015575 | -0.003635 | -0.010436 | -0.016861 | -0.022135 | 0.025954 | 0.000000 | 0.000000 | 0.000000 |
| 361.413880 | 0.209644 | -0.289331 | 0.040342 | -0.045412 | 0.020354 | -0.004752 | -0.013708 | -0.023156 | -0.036584 | 0.040115 | 0.000000 | 0.000000 | 0.000000 |
| 206.270340 | 0.194144 | -0.204953 | 0.012418 | -0.023183 | 0.010313 | -0.002400 | -0.006811 | -0.009762 | -0.005164 | 0.008874 | 0.000000 | 0.000000 | 0.000000 |
| 119.336700 | 0.157939 | 0.095610 | -0.095375 | 0.059661 | -0.026661 | 0.006242 | 0.017851 | 0.026743 | 0.021153 | -0.032656 | 0.000000 | 0.000000 | 0.000000 |
| 70.143086 | 0.170475 | 0.439216 | -0.269298 | 0.188938 | -0.085525 | 0.020067 | 0.058307 | 0.102570 | 0.184085 | -0.202722 | 0.000000 | 0.000000 | 0.000000 |
| 41.704070 | 0.149093 | 0.441657 | -0.255357 | 0.173886 | -0.077375 | 0.018094 | 0.051657 | 0.075239 | 0.042791 | -0.075106 | 0.000000 | 0.000000 | 0.000000 |
| 24.702880 | 0.061439 | 0.138034 | 0.126429 | -0.094859 | 0.045239 | -0.010769 | -0.031195 | -0.038986 | 0.038705 | 0.036030 | 0.000000 | 0.000000 | 0.000000 |
| 14.496398 | 0.006729 | -0.091087 | 0.538453 | -0.448627 | 0.221539 | -0.052972 | -0.156234 | -0.296140 | -0.650458 | 0.726129 | 0.000000 | 0.000000 | 0.000000 |
| 8.575870 | -0.001615 | -0.093733 | 0.443828 | -0.405816 | 0.197258 | -0.046975 | -0.135620 | -0.181685 | 0.077391 | -0.092742 | 1.000000 | 0.000000 | 0.000000 |
| 4.980861 | -0.000478 | -0.025449 | 0.124948 | 0.213301 | -0.151778 | 0.038151 | 0.121490 | 0.187437 | -0.091993 | -0.078846 | 0.000000 | 1.000000 | 0.000000 |
| 2.840408 | 0.000123 | 0.001120 | 0.008955 | 0.623160 | -0.443763 | 0.114489 | 0.338765 | 0.725288 | 2.339170 | -3.877290 | 0.000000 | 0.000000 | 0.000000 |
| 1.604826 | 0.000103 | 0.001424 | 0.001159 | 0.367116 | -0.267748 | 0.069487 | 0.275777 | 0.350016 | -2.189770 | 8.151550 | 0.000000 | 0.000000 | 0.000000 |
| 0.883461 | 0.000025 | 0.000467 | -0.000289 | 0.080516 | 0.244887 | -0.080841 | -0.557904 | -1.771520 | -1.832440 | -6.893810 | 0.000000 | 0.000000 | 0.000000 |
| 0.474768 | 0.000003 | 0.000004 | 0.000225 | 0.023821 | 0.534621 | -0.182334 | -0.511240 | -0.081001 | 3.836000 | 1.247350 | 0.000000 | 0.000000 | 0.000000 |
| 0.253545 | 0.000002 | 0.000061 | -0.000038 | 0.013867 | 0.372016 | -0.180882 | 0.042588 | 1.529340 | -1.302260 | 3.317220 | 0.000000 | 0.000000 | 0.000000 |
| 0.131069 | 0.000000 | -0.000011 | 0.000063 | 0.003464 | 0.099226 | 0.015048 | 0.533911 | 0.063989 | -1.307350 | -3.470520 | 0.000000 | 0.000000 | 0.000000 |
| 0.062883 | 0.000000 | 0.000008 | -0.000019 | 0.000297 | 0.008971 | 0.401603 | 0.500129 | -0.807897 | 0.836006 | 0.980914 | 0.000000 | 0.000000 | 0.000000 |
| 0.030170 | -0.000000 | -0.000003 | 0.000009 | 0.000034 | 0.001249 | 0.538452 | 0.077132 | -0.152818 | 0.268688 | 0.369930 | 0.000000 | 0.000000 | 0.000000 |
| 0.014263 | 0.000000 | 0.000001 | -0.000002 | -0.000001 | -0.000063 | 0.181308 | 0.003652 | -0.005744 | -0.000042 | 0.021434 | 0.000000 | 0.000000 | 1.000000 |
Comment: R. Feng and K.A. Peterson, J. Chem. Phys. 147, 084108 (2017)