MOLPRO Basis Query, element=Sr, basis=cc-pVQZ-PP, l=p
Basis Sr p cc-pVQZ-PP
| Primitives | Contractions... |
|---|
| 128.576000 | 0.000044 | -0.000012 | 0.000000 | 0.000000 | 0.000000 |
| 8.024150 | 0.029113 | -0.007310 | 0.000000 | 0.000000 | 0.000000 |
| 5.015800 | -0.076386 | 0.019773 | 0.000000 | 0.000000 | 0.000000 |
| 2.689290 | -0.106900 | 0.026086 | 0.000000 | 0.000000 | 0.000000 |
| 1.167490 | 0.214441 | -0.060964 | 0.000000 | 0.000000 | 0.000000 |
| 0.627346 | 0.443136 | -0.115640 | 0.000000 | 0.000000 | 0.000000 |
| 0.331690 | 0.368219 | -0.145387 | 0.000000 | 0.000000 | 0.000000 |
| 0.170768 | 0.126853 | -0.038012 | 0.000000 | 0.000000 | 0.000000 |
| 0.073079 | 0.011601 | 0.363295 | 1.000000 | 0.000000 | 0.000000 |
| 0.034110 | 0.000393 | 0.568698 | 0.000000 | 1.000000 | 0.000000 |
| 0.015751 | 0.000148 | 0.199295 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
Basis Sr p cc-pVQZ-PP
| Primitives | Contractions... |
|---|
| 128.576000 | 0.000044 | -0.000012 | 0.000000 | 0.000000 | 0.000000 |
| 8.024150 | 0.029113 | -0.007310 | 0.000000 | 0.000000 | 0.000000 |
| 5.015800 | -0.076386 | 0.019773 | 0.000000 | 0.000000 | 0.000000 |
| 2.689290 | -0.106900 | 0.026086 | 0.000000 | 0.000000 | 0.000000 |
| 1.167490 | 0.214441 | -0.060964 | 0.000000 | 0.000000 | 0.000000 |
| 0.627346 | 0.443136 | -0.115640 | 0.000000 | 0.000000 | 0.000000 |
| 0.331690 | 0.368219 | -0.145387 | 0.000000 | 0.000000 | 0.000000 |
| 0.170768 | 0.126853 | -0.038012 | 0.000000 | 0.000000 | 0.000000 |
| 0.073079 | 0.011601 | 0.363295 | 1.000000 | 0.000000 | 0.000000 |
| 0.034110 | 0.000393 | 0.568698 | 0.000000 | 1.000000 | 0.000000 |
| 0.015751 | 0.000148 | 0.199295 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
Basis Sr p cc-pVQZ-PP
| Primitives | Contractions... |
|---|
| 128.576000 | 0.000044 | -0.000012 | 0.000000 | 0.000000 | 0.000000 |
| 8.024150 | 0.029113 | -0.007310 | 0.000000 | 0.000000 | 0.000000 |
| 5.015800 | -0.076386 | 0.019773 | 0.000000 | 0.000000 | 0.000000 |
| 2.689290 | -0.106900 | 0.026086 | 0.000000 | 0.000000 | 0.000000 |
| 1.167490 | 0.214441 | -0.060964 | 0.000000 | 0.000000 | 0.000000 |
| 0.627346 | 0.443136 | -0.115640 | 0.000000 | 0.000000 | 0.000000 |
| 0.331690 | 0.368219 | -0.145387 | 0.000000 | 0.000000 | 0.000000 |
| 0.170768 | 0.126853 | -0.038012 | 0.000000 | 0.000000 | 0.000000 |
| 0.073079 | 0.011601 | 0.363295 | 1.000000 | 0.000000 | 0.000000 |
| 0.034110 | 0.000393 | 0.568698 | 0.000000 | 1.000000 | 0.000000 |
| 0.015751 | 0.000148 | 0.199295 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
Basis Sr p cc-pVQZ-PP
| Primitives | Contractions... |
|---|
| 128.576000 | 0.000044 | -0.000012 | 0.000000 | 0.000000 | 0.000000 |
| 8.024150 | 0.029113 | -0.007310 | 0.000000 | 0.000000 | 0.000000 |
| 5.015800 | -0.076386 | 0.019773 | 0.000000 | 0.000000 | 0.000000 |
| 2.689290 | -0.106900 | 0.026086 | 0.000000 | 0.000000 | 0.000000 |
| 1.167490 | 0.214441 | -0.060964 | 0.000000 | 0.000000 | 0.000000 |
| 0.627346 | 0.443136 | -0.115640 | 0.000000 | 0.000000 | 0.000000 |
| 0.331690 | 0.368219 | -0.145387 | 0.000000 | 0.000000 | 0.000000 |
| 0.170768 | 0.126853 | -0.038012 | 0.000000 | 0.000000 | 0.000000 |
| 0.073079 | 0.011601 | 0.363295 | 1.000000 | 0.000000 | 0.000000 |
| 0.034110 | 0.000393 | 0.568698 | 0.000000 | 1.000000 | 0.000000 |
| 0.015751 | 0.000148 | 0.199295 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
Basis Sr p cc-pVQZ-PP
| Primitives | Contractions... |
|---|
| 128.576000 | 0.000044 | -0.000012 | 0.000000 | 0.000000 | 0.000000 |
| 8.024150 | 0.029113 | -0.007310 | 0.000000 | 0.000000 | 0.000000 |
| 5.015800 | -0.076386 | 0.019773 | 0.000000 | 0.000000 | 0.000000 |
| 2.689290 | -0.106900 | 0.026086 | 0.000000 | 0.000000 | 0.000000 |
| 1.167490 | 0.214441 | -0.060964 | 0.000000 | 0.000000 | 0.000000 |
| 0.627346 | 0.443136 | -0.115640 | 0.000000 | 0.000000 | 0.000000 |
| 0.331690 | 0.368219 | -0.145387 | 0.000000 | 0.000000 | 0.000000 |
| 0.170768 | 0.126853 | -0.038012 | 0.000000 | 0.000000 | 0.000000 |
| 0.073079 | 0.011601 | 0.363295 | 1.000000 | 0.000000 | 0.000000 |
| 0.034110 | 0.000393 | 0.568698 | 0.000000 | 1.000000 | 0.000000 |
| 0.015751 | 0.000148 | 0.199295 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
Basis Sr p cc-pVQZ-PP
| Primitives | Contractions... |
|---|
| 128.576000 | 0.000044 | -0.000012 | 0.000000 | 0.000000 | 0.000000 |
| 8.024150 | 0.029113 | -0.007310 | 0.000000 | 0.000000 | 0.000000 |
| 5.015800 | -0.076386 | 0.019773 | 0.000000 | 0.000000 | 0.000000 |
| 2.689290 | -0.106900 | 0.026086 | 0.000000 | 0.000000 | 0.000000 |
| 1.167490 | 0.214441 | -0.060964 | 0.000000 | 0.000000 | 0.000000 |
| 0.627346 | 0.443136 | -0.115640 | 0.000000 | 0.000000 | 0.000000 |
| 0.331690 | 0.368219 | -0.145387 | 0.000000 | 0.000000 | 0.000000 |
| 0.170768 | 0.126853 | -0.038012 | 0.000000 | 0.000000 | 0.000000 |
| 0.073079 | 0.011601 | 0.363295 | 1.000000 | 0.000000 | 0.000000 |
| 0.034110 | 0.000393 | 0.568698 | 0.000000 | 1.000000 | 0.000000 |
| 0.015751 | 0.000148 | 0.199295 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
Basis Sr p cc-pVQZ-PP
| Primitives | Contractions... |
|---|
| 128.576000 | 0.000044 | -0.000012 | 0.000000 | 0.000000 | 0.000000 |
| 8.024150 | 0.029113 | -0.007310 | 0.000000 | 0.000000 | 0.000000 |
| 5.015800 | -0.076386 | 0.019773 | 0.000000 | 0.000000 | 0.000000 |
| 2.689290 | -0.106900 | 0.026086 | 0.000000 | 0.000000 | 0.000000 |
| 1.167490 | 0.214441 | -0.060964 | 0.000000 | 0.000000 | 0.000000 |
| 0.627346 | 0.443136 | -0.115640 | 0.000000 | 0.000000 | 0.000000 |
| 0.331690 | 0.368219 | -0.145387 | 0.000000 | 0.000000 | 0.000000 |
| 0.170768 | 0.126853 | -0.038012 | 0.000000 | 0.000000 | 0.000000 |
| 0.073079 | 0.011601 | 0.363295 | 1.000000 | 0.000000 | 0.000000 |
| 0.034110 | 0.000393 | 0.568698 | 0.000000 | 1.000000 | 0.000000 |
| 0.015751 | 0.000148 | 0.199295 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
Basis Sr p cc-pVQZ-PP
| Primitives | Contractions... |
|---|
| 128.576000 | 0.000044 | -0.000012 | 0.000000 | 0.000000 | 0.000000 |
| 8.024150 | 0.029113 | -0.007310 | 0.000000 | 0.000000 | 0.000000 |
| 5.015800 | -0.076386 | 0.019773 | 0.000000 | 0.000000 | 0.000000 |
| 2.689290 | -0.106900 | 0.026086 | 0.000000 | 0.000000 | 0.000000 |
| 1.167490 | 0.214441 | -0.060964 | 0.000000 | 0.000000 | 0.000000 |
| 0.627346 | 0.443136 | -0.115640 | 0.000000 | 0.000000 | 0.000000 |
| 0.331690 | 0.368219 | -0.145387 | 0.000000 | 0.000000 | 0.000000 |
| 0.170768 | 0.126853 | -0.038012 | 0.000000 | 0.000000 | 0.000000 |
| 0.073079 | 0.011601 | 0.363295 | 1.000000 | 0.000000 | 0.000000 |
| 0.034110 | 0.000393 | 0.568698 | 0.000000 | 1.000000 | 0.000000 |
| 0.015751 | 0.000148 | 0.199295 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)