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Electrostatic Properties for NAG Geometry Optimized with B3LYP/6-311g(d,p) Basis
| Polarizability/Å3 | Dipole Moment/ Debye | |
|---|---|---|
| B3LYP/6-311g(d,p) | 17.29 | 5.1572 |
| B3LYP/aug-cc-pvDZ | 19.80 | 5.1604 |
| B3LYP/aug-cc-pvTZ | 19.82 | 5.1515 |
| MP2/6-311g(d,p) | 16.75 | 5.4377 |
| MP2/aug-cc-pvDZ | 19.46 | 5.4115 |
| CHEQ | 16.81 | 5.1160 |
