MOLPRO Basis Query, element=K, basis=cc-pVQZ-PP, l=s
Basis K s cc-pVQZ-PP
| Primitives | Contractions... |
|---|
| 882.011000 | 0.000187 | -0.000041 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144.996000 | 0.000995 | -0.000219 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 33.898600 | 0.003064 | -0.000650 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.498500 | -0.027053 | 0.005453 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 8.818070 | 0.163547 | -0.034469 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4.754070 | -0.308139 | 0.069168 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.580720 | -0.237814 | 0.046568 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.453300 | 0.128690 | -0.023541 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.805220 | 0.436208 | -0.117445 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.432633 | 0.527522 | -0.149664 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.212384 | 0.187029 | -0.205369 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.051530 | 0.003194 | 0.292614 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.028784 | -0.000691 | 0.600919 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.014215 | 0.000240 | 0.258076 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
Basis K s cc-pVQZ-PP
| Primitives | Contractions... |
|---|
| 882.011000 | 0.000187 | -0.000041 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144.996000 | 0.000995 | -0.000219 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 33.898600 | 0.003064 | -0.000650 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.498500 | -0.027053 | 0.005453 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 8.818070 | 0.163547 | -0.034469 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4.754070 | -0.308139 | 0.069168 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.580720 | -0.237814 | 0.046568 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.453300 | 0.128690 | -0.023541 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.805220 | 0.436208 | -0.117445 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.432633 | 0.527522 | -0.149664 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.212384 | 0.187029 | -0.205369 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.051530 | 0.003194 | 0.292614 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.028784 | -0.000691 | 0.600919 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.014215 | 0.000240 | 0.258076 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
Basis K s cc-pVQZ-PP
| Primitives | Contractions... |
|---|
| 882.011000 | 0.000187 | -0.000041 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144.996000 | 0.000995 | -0.000219 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 33.898600 | 0.003064 | -0.000650 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.498500 | -0.027053 | 0.005453 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 8.818070 | 0.163547 | -0.034469 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4.754070 | -0.308139 | 0.069168 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.580720 | -0.237814 | 0.046568 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.453300 | 0.128690 | -0.023541 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.805220 | 0.436208 | -0.117445 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.432633 | 0.527522 | -0.149664 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.212384 | 0.187029 | -0.205369 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.051530 | 0.003194 | 0.292614 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.028784 | -0.000691 | 0.600919 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.014215 | 0.000240 | 0.258076 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
Basis K s cc-pVQZ-PP
| Primitives | Contractions... |
|---|
| 882.011000 | 0.000187 | -0.000041 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144.996000 | 0.000995 | -0.000219 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 33.898600 | 0.003064 | -0.000650 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.498500 | -0.027053 | 0.005453 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 8.818070 | 0.163547 | -0.034469 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4.754070 | -0.308139 | 0.069168 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.580720 | -0.237814 | 0.046568 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.453300 | 0.128690 | -0.023541 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.805220 | 0.436208 | -0.117445 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.432633 | 0.527522 | -0.149664 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.212384 | 0.187029 | -0.205369 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.051530 | 0.003194 | 0.292614 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.028784 | -0.000691 | 0.600919 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.014215 | 0.000240 | 0.258076 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
Basis K s cc-pVQZ-PP
| Primitives | Contractions... |
|---|
| 882.011000 | 0.000187 | -0.000041 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144.996000 | 0.000995 | -0.000219 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 33.898600 | 0.003064 | -0.000650 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.498500 | -0.027053 | 0.005453 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 8.818070 | 0.163547 | -0.034469 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4.754070 | -0.308139 | 0.069168 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.580720 | -0.237814 | 0.046568 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.453300 | 0.128690 | -0.023541 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.805220 | 0.436208 | -0.117445 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.432633 | 0.527522 | -0.149664 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.212384 | 0.187029 | -0.205369 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.051530 | 0.003194 | 0.292614 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.028784 | -0.000691 | 0.600919 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.014215 | 0.000240 | 0.258076 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
Basis K s cc-pVQZ-PP
| Primitives | Contractions... |
|---|
| 882.011000 | 0.000187 | -0.000041 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144.996000 | 0.000995 | -0.000219 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 33.898600 | 0.003064 | -0.000650 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.498500 | -0.027053 | 0.005453 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 8.818070 | 0.163547 | -0.034469 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4.754070 | -0.308139 | 0.069168 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.580720 | -0.237814 | 0.046568 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.453300 | 0.128690 | -0.023541 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.805220 | 0.436208 | -0.117445 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.432633 | 0.527522 | -0.149664 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.212384 | 0.187029 | -0.205369 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.051530 | 0.003194 | 0.292614 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.028784 | -0.000691 | 0.600919 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.014215 | 0.000240 | 0.258076 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
Basis K s cc-pVQZ-PP
| Primitives | Contractions... |
|---|
| 882.011000 | 0.000187 | -0.000041 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 144.996000 | 0.000995 | -0.000219 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 33.898600 | 0.003064 | -0.000650 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 14.498500 | -0.027053 | 0.005453 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 8.818070 | 0.163547 | -0.034469 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 4.754070 | -0.308139 | 0.069168 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.580720 | -0.237814 | 0.046568 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 1.453300 | 0.128690 | -0.023541 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.805220 | 0.436208 | -0.117445 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.432633 | 0.527522 | -0.149664 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.212384 | 0.187029 | -0.205369 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.051530 | 0.003194 | 0.292614 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.028784 | -0.000691 | 0.600919 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.014215 | 0.000240 | 0.258076 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)