| Atom | E0 (au) | H0 (kcal・mol−1) | Hm (kcal・mol−1) | Ec (au) |
| H | −0.501258 | 51.63 | 1.01 | −0.001393 |
| He | −2.907054 | 0.00 | 0.00 | −0.002036 |
| Li | 0.000000 | 37.69 | 1.10 | −0.000211 |
| Be | 0.000000 | 76.48 | 0.46 | −0.002312 |
| B | −24.660873 | 136.20 | 0.29 | −0.005346 |
| C | −37.851975 | 169.98 | 0.25 | −0.005383 |
| N | −54.589136 | 112.53 | 1.04 | −0.003555 |
| O | −75.068499 | 58.99 | 1.04 | −0.007213 |
| F | −99.726602 | 18.47 | 1.05 | −0.001885 |
| Ne | −128.909463 | 0.00 | 0.00 | −0.021749 |
| Na | 0.000000 | 25.69 | 1.54 | −0.000032 |
| Mg | 0.000000 | 34.87 | 1.19 | −0.001603 |
| Al | −242.382859 | 78.23 | 1.08 | −0.003215 |
| Si | −289.388651 | 106.60 | 0.76 | −0.013175 |
| P | −341.276438 | 75.42 | 1.28 | −0.003958 |
| S | −398.125081 | 65.66 | 1.05 | −0.006948 |
| Cl | −460.158464 | 28.59 | 1.10 | −0.006929 |
| Ar | −527.542275 | 0.00 | 0.00 | −0.006574 |