MOLPRO Basis Query, element=Sr, basis=VQZ-PP, l=s
Basis Sr s VQZ-PP
| Primitives | Contractions... |
|---|
| 608.814000 | 0.000031 | -0.000009 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 65.151600 | 0.000607 | -0.000153 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 35.901800 | -0.003239 | 0.000752 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 21.291500 | 0.019365 | -0.004826 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 13.286600 | -0.094529 | 0.025604 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 8.278270 | 0.241036 | -0.068821 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.451300 | -0.421455 | 0.130757 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.039780 | -0.248513 | 0.071939 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.836107 | 0.450025 | -0.151008 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.456440 | 0.622534 | -0.282904 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.238906 | 0.248604 | -0.253882 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.076621 | 0.008986 | 0.344635 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.037796 | -0.002528 | 0.645281 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.017969 | 0.000545 | 0.230997 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
Basis Sr s VQZ-PP
| Primitives | Contractions... |
|---|
| 608.814000 | 0.000031 | -0.000009 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 65.151600 | 0.000607 | -0.000153 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 35.901800 | -0.003239 | 0.000752 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 21.291500 | 0.019365 | -0.004826 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 13.286600 | -0.094529 | 0.025604 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 8.278270 | 0.241036 | -0.068821 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.451300 | -0.421455 | 0.130757 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.039780 | -0.248513 | 0.071939 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.836107 | 0.450025 | -0.151008 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.456440 | 0.622534 | -0.282904 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.238906 | 0.248604 | -0.253882 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.076621 | 0.008986 | 0.344635 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.037796 | -0.002528 | 0.645281 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.017969 | 0.000545 | 0.230997 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
Basis Sr s VQZ-PP
| Primitives | Contractions... |
|---|
| 608.814000 | 0.000031 | -0.000009 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 65.151600 | 0.000607 | -0.000153 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 35.901800 | -0.003239 | 0.000752 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 21.291500 | 0.019365 | -0.004826 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 13.286600 | -0.094529 | 0.025604 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 8.278270 | 0.241036 | -0.068821 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.451300 | -0.421455 | 0.130757 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.039780 | -0.248513 | 0.071939 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.836107 | 0.450025 | -0.151008 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.456440 | 0.622534 | -0.282904 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.238906 | 0.248604 | -0.253882 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.076621 | 0.008986 | 0.344635 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.037796 | -0.002528 | 0.645281 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.017969 | 0.000545 | 0.230997 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
Basis Sr s VQZ-PP
| Primitives | Contractions... |
|---|
| 608.814000 | 0.000031 | -0.000009 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 65.151600 | 0.000607 | -0.000153 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 35.901800 | -0.003239 | 0.000752 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 21.291500 | 0.019365 | -0.004826 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 13.286600 | -0.094529 | 0.025604 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 8.278270 | 0.241036 | -0.068821 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.451300 | -0.421455 | 0.130757 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.039780 | -0.248513 | 0.071939 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.836107 | 0.450025 | -0.151008 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.456440 | 0.622534 | -0.282904 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.238906 | 0.248604 | -0.253882 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.076621 | 0.008986 | 0.344635 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.037796 | -0.002528 | 0.645281 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.017969 | 0.000545 | 0.230997 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
Basis Sr s VQZ-PP
| Primitives | Contractions... |
|---|
| 608.814000 | 0.000031 | -0.000009 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 65.151600 | 0.000607 | -0.000153 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 35.901800 | -0.003239 | 0.000752 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 21.291500 | 0.019365 | -0.004826 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 13.286600 | -0.094529 | 0.025604 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 8.278270 | 0.241036 | -0.068821 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.451300 | -0.421455 | 0.130757 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.039780 | -0.248513 | 0.071939 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.836107 | 0.450025 | -0.151008 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.456440 | 0.622534 | -0.282904 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.238906 | 0.248604 | -0.253882 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.076621 | 0.008986 | 0.344635 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.037796 | -0.002528 | 0.645281 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.017969 | 0.000545 | 0.230997 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
Basis Sr s VQZ-PP
| Primitives | Contractions... |
|---|
| 608.814000 | 0.000031 | -0.000009 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 65.151600 | 0.000607 | -0.000153 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 35.901800 | -0.003239 | 0.000752 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 21.291500 | 0.019365 | -0.004826 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 13.286600 | -0.094529 | 0.025604 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 8.278270 | 0.241036 | -0.068821 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.451300 | -0.421455 | 0.130757 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.039780 | -0.248513 | 0.071939 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.836107 | 0.450025 | -0.151008 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.456440 | 0.622534 | -0.282904 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.238906 | 0.248604 | -0.253882 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.076621 | 0.008986 | 0.344635 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.037796 | -0.002528 | 0.645281 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.017969 | 0.000545 | 0.230997 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
Basis Sr s VQZ-PP
| Primitives | Contractions... |
|---|
| 608.814000 | 0.000031 | -0.000009 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 65.151600 | 0.000607 | -0.000153 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 35.901800 | -0.003239 | 0.000752 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 21.291500 | 0.019365 | -0.004826 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 13.286600 | -0.094529 | 0.025604 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 8.278270 | 0.241036 | -0.068821 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.451300 | -0.421455 | 0.130757 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.039780 | -0.248513 | 0.071939 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.836107 | 0.450025 | -0.151008 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.456440 | 0.622534 | -0.282904 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.238906 | 0.248604 | -0.253882 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.076621 | 0.008986 | 0.344635 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.037796 | -0.002528 | 0.645281 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.017969 | 0.000545 | 0.230997 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
Basis Sr s VQZ-PP
| Primitives | Contractions... |
|---|
| 608.814000 | 0.000031 | -0.000009 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 65.151600 | 0.000607 | -0.000153 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 35.901800 | -0.003239 | 0.000752 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 21.291500 | 0.019365 | -0.004826 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 13.286600 | -0.094529 | 0.025604 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 8.278270 | 0.241036 | -0.068821 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 3.451300 | -0.421455 | 0.130757 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 2.039780 | -0.248513 | 0.071939 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.836107 | 0.450025 | -0.151008 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.456440 | 0.622534 | -0.282904 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.238906 | 0.248604 | -0.253882 | 1.000000 | 0.000000 | 0.000000 | 0.000000 |
| 0.076621 | 0.008986 | 0.344635 | 0.000000 | 1.000000 | 0.000000 | 0.000000 |
| 0.037796 | -0.002528 | 0.645281 | 0.000000 | 0.000000 | 1.000000 | 0.000000 |
| 0.017969 | 0.000545 | 0.230997 | 0.000000 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)