MOLPRO Basis Query, element=Rb, basis=cc-pVQZ-PP, l=p
Basis Rb p cc-pVQZ-PP
| Primitives | Contractions... |
|---|
| 57.835500 | 0.000207 | -0.000038 | 0.000000 | 0.000000 | 0.000000 |
| 5.937400 | 0.034745 | -0.005370 | 0.000000 | 0.000000 | 0.000000 |
| 3.304280 | -0.155753 | 0.024876 | 0.000000 | 0.000000 | 0.000000 |
| 0.889301 | 0.268958 | -0.048841 | 0.000000 | 0.000000 | 0.000000 |
| 0.498447 | 0.345006 | -0.051770 | 0.000000 | 0.000000 | 0.000000 |
| 0.296751 | 0.314066 | -0.076414 | 0.000000 | 0.000000 | 0.000000 |
| 0.167006 | 0.184908 | -0.043685 | 0.000000 | 0.000000 | 0.000000 |
| 0.083159 | 0.035016 | -0.067052 | 0.000000 | 0.000000 | 0.000000 |
| 0.051616 | -0.000064 | 0.256150 | 1.000000 | 0.000000 | 0.000000 |
| 0.021267 | 0.001148 | 0.618616 | 0.000000 | 1.000000 | 0.000000 |
| 0.009544 | -0.000174 | 0.279708 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
Basis Rb p cc-pVQZ-PP
| Primitives | Contractions... |
|---|
| 57.835500 | 0.000207 | -0.000038 | 0.000000 | 0.000000 | 0.000000 |
| 5.937400 | 0.034745 | -0.005370 | 0.000000 | 0.000000 | 0.000000 |
| 3.304280 | -0.155753 | 0.024876 | 0.000000 | 0.000000 | 0.000000 |
| 0.889301 | 0.268958 | -0.048841 | 0.000000 | 0.000000 | 0.000000 |
| 0.498447 | 0.345006 | -0.051770 | 0.000000 | 0.000000 | 0.000000 |
| 0.296751 | 0.314066 | -0.076414 | 0.000000 | 0.000000 | 0.000000 |
| 0.167006 | 0.184908 | -0.043685 | 0.000000 | 0.000000 | 0.000000 |
| 0.083159 | 0.035016 | -0.067052 | 0.000000 | 0.000000 | 0.000000 |
| 0.051616 | -0.000064 | 0.256150 | 1.000000 | 0.000000 | 0.000000 |
| 0.021267 | 0.001148 | 0.618616 | 0.000000 | 1.000000 | 0.000000 |
| 0.009544 | -0.000174 | 0.279708 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
Basis Rb p cc-pVQZ-PP
| Primitives | Contractions... |
|---|
| 57.835500 | 0.000207 | -0.000038 | 0.000000 | 0.000000 | 0.000000 |
| 5.937400 | 0.034745 | -0.005370 | 0.000000 | 0.000000 | 0.000000 |
| 3.304280 | -0.155753 | 0.024876 | 0.000000 | 0.000000 | 0.000000 |
| 0.889301 | 0.268958 | -0.048841 | 0.000000 | 0.000000 | 0.000000 |
| 0.498447 | 0.345006 | -0.051770 | 0.000000 | 0.000000 | 0.000000 |
| 0.296751 | 0.314066 | -0.076414 | 0.000000 | 0.000000 | 0.000000 |
| 0.167006 | 0.184908 | -0.043685 | 0.000000 | 0.000000 | 0.000000 |
| 0.083159 | 0.035016 | -0.067052 | 0.000000 | 0.000000 | 0.000000 |
| 0.051616 | -0.000064 | 0.256150 | 1.000000 | 0.000000 | 0.000000 |
| 0.021267 | 0.001148 | 0.618616 | 0.000000 | 1.000000 | 0.000000 |
| 0.009544 | -0.000174 | 0.279708 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
Basis Rb p cc-pVQZ-PP
| Primitives | Contractions... |
|---|
| 57.835500 | 0.000207 | -0.000038 | 0.000000 | 0.000000 | 0.000000 |
| 5.937400 | 0.034745 | -0.005370 | 0.000000 | 0.000000 | 0.000000 |
| 3.304280 | -0.155753 | 0.024876 | 0.000000 | 0.000000 | 0.000000 |
| 0.889301 | 0.268958 | -0.048841 | 0.000000 | 0.000000 | 0.000000 |
| 0.498447 | 0.345006 | -0.051770 | 0.000000 | 0.000000 | 0.000000 |
| 0.296751 | 0.314066 | -0.076414 | 0.000000 | 0.000000 | 0.000000 |
| 0.167006 | 0.184908 | -0.043685 | 0.000000 | 0.000000 | 0.000000 |
| 0.083159 | 0.035016 | -0.067052 | 0.000000 | 0.000000 | 0.000000 |
| 0.051616 | -0.000064 | 0.256150 | 1.000000 | 0.000000 | 0.000000 |
| 0.021267 | 0.001148 | 0.618616 | 0.000000 | 1.000000 | 0.000000 |
| 0.009544 | -0.000174 | 0.279708 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
Basis Rb p cc-pVQZ-PP
| Primitives | Contractions... |
|---|
| 57.835500 | 0.000207 | -0.000038 | 0.000000 | 0.000000 | 0.000000 |
| 5.937400 | 0.034745 | -0.005370 | 0.000000 | 0.000000 | 0.000000 |
| 3.304280 | -0.155753 | 0.024876 | 0.000000 | 0.000000 | 0.000000 |
| 0.889301 | 0.268958 | -0.048841 | 0.000000 | 0.000000 | 0.000000 |
| 0.498447 | 0.345006 | -0.051770 | 0.000000 | 0.000000 | 0.000000 |
| 0.296751 | 0.314066 | -0.076414 | 0.000000 | 0.000000 | 0.000000 |
| 0.167006 | 0.184908 | -0.043685 | 0.000000 | 0.000000 | 0.000000 |
| 0.083159 | 0.035016 | -0.067052 | 0.000000 | 0.000000 | 0.000000 |
| 0.051616 | -0.000064 | 0.256150 | 1.000000 | 0.000000 | 0.000000 |
| 0.021267 | 0.001148 | 0.618616 | 0.000000 | 1.000000 | 0.000000 |
| 0.009544 | -0.000174 | 0.279708 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
Basis Rb p cc-pVQZ-PP
| Primitives | Contractions... |
|---|
| 57.835500 | 0.000207 | -0.000038 | 0.000000 | 0.000000 | 0.000000 |
| 5.937400 | 0.034745 | -0.005370 | 0.000000 | 0.000000 | 0.000000 |
| 3.304280 | -0.155753 | 0.024876 | 0.000000 | 0.000000 | 0.000000 |
| 0.889301 | 0.268958 | -0.048841 | 0.000000 | 0.000000 | 0.000000 |
| 0.498447 | 0.345006 | -0.051770 | 0.000000 | 0.000000 | 0.000000 |
| 0.296751 | 0.314066 | -0.076414 | 0.000000 | 0.000000 | 0.000000 |
| 0.167006 | 0.184908 | -0.043685 | 0.000000 | 0.000000 | 0.000000 |
| 0.083159 | 0.035016 | -0.067052 | 0.000000 | 0.000000 | 0.000000 |
| 0.051616 | -0.000064 | 0.256150 | 1.000000 | 0.000000 | 0.000000 |
| 0.021267 | 0.001148 | 0.618616 | 0.000000 | 1.000000 | 0.000000 |
| 0.009544 | -0.000174 | 0.279708 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
Basis Rb p cc-pVQZ-PP
| Primitives | Contractions... |
|---|
| 57.835500 | 0.000207 | -0.000038 | 0.000000 | 0.000000 | 0.000000 |
| 5.937400 | 0.034745 | -0.005370 | 0.000000 | 0.000000 | 0.000000 |
| 3.304280 | -0.155753 | 0.024876 | 0.000000 | 0.000000 | 0.000000 |
| 0.889301 | 0.268958 | -0.048841 | 0.000000 | 0.000000 | 0.000000 |
| 0.498447 | 0.345006 | -0.051770 | 0.000000 | 0.000000 | 0.000000 |
| 0.296751 | 0.314066 | -0.076414 | 0.000000 | 0.000000 | 0.000000 |
| 0.167006 | 0.184908 | -0.043685 | 0.000000 | 0.000000 | 0.000000 |
| 0.083159 | 0.035016 | -0.067052 | 0.000000 | 0.000000 | 0.000000 |
| 0.051616 | -0.000064 | 0.256150 | 1.000000 | 0.000000 | 0.000000 |
| 0.021267 | 0.001148 | 0.618616 | 0.000000 | 1.000000 | 0.000000 |
| 0.009544 | -0.000174 | 0.279708 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
Basis Rb p cc-pVQZ-PP
| Primitives | Contractions... |
|---|
| 57.835500 | 0.000207 | -0.000038 | 0.000000 | 0.000000 | 0.000000 |
| 5.937400 | 0.034745 | -0.005370 | 0.000000 | 0.000000 | 0.000000 |
| 3.304280 | -0.155753 | 0.024876 | 0.000000 | 0.000000 | 0.000000 |
| 0.889301 | 0.268958 | -0.048841 | 0.000000 | 0.000000 | 0.000000 |
| 0.498447 | 0.345006 | -0.051770 | 0.000000 | 0.000000 | 0.000000 |
| 0.296751 | 0.314066 | -0.076414 | 0.000000 | 0.000000 | 0.000000 |
| 0.167006 | 0.184908 | -0.043685 | 0.000000 | 0.000000 | 0.000000 |
| 0.083159 | 0.035016 | -0.067052 | 0.000000 | 0.000000 | 0.000000 |
| 0.051616 | -0.000064 | 0.256150 | 1.000000 | 0.000000 | 0.000000 |
| 0.021267 | 0.001148 | 0.618616 | 0.000000 | 1.000000 | 0.000000 |
| 0.009544 | -0.000174 | 0.279708 | 0.000000 | 0.000000 | 1.000000 |
Comment: J.G. Hill and K.A. Peterson, J. Chem. Phys. 147, 244106 (2017)
| 