Table 2.
The total energy of examined molecules (versus Hartree)13.
| Molecules | Total energy (experimental) | Total energy (our model) |
|---|---|---|
| Li2 | − 14.9951 | − 14.99553 |
| CH | − 38.4788 | − 38.47462 |
| CH2 (1A1) | − 39.1346 | − 39.12451 |
| CH2 (3B1) | − 39.1484 | − 39.14978 |
| NH | − 55.2227 | − 55.22271 |
| CH3 | − 39.8355 | − 39.83338 |
| NH2 | − 55.8794 | − 55.88145 |
| OH | − 75.7371 | − 75.74185 |
| CH4 | − 40.5158 | − 40.50829 |
| H2O | − 76.4383 | − 76.43823 |
| HF | − 100.459 | − 100.4600 |
| H2 | − 1.1745 | − 1.176598 |
| LiH | − 8.0704 | − 8.073238 |
| CO | − 113.326 | − 113.3207 |
| HCN | − 93.4311 | − 93.42615 |
| N2 | − 109.542 | − 109.5360 |
| HCO | − 113.857 | − 113.8624 |
| NO | − 129.905 | − 129.9022 |
| C2H4 | − 78.5888 | − 78.57484 |
| H2CO | − 114.509 | − 114.5084 |
| O2 | − 150.327 | − 150.3493 |
| C2H6 | − 79.8274 | − 79.80910 |
| F2 | − 199.53 | − 199.5463 |
| H2O2 | − 151.564 | − 151.5724 |
| H3COH | − 115.731 | − 115.7231 |
| N2H4 | − 111.878 | − 111.8715 |
| CO2 | − 188.601 | − 188.6098 |
| BeH | − 15.2468 | − 15.25018 |
| SiH2(3B1) | − 290.569 | − 290.5712 |
| H2S | − 399.403 | − 399.4023 |
| Hcl | − 460.819 | − 460.8197 |
| PH3 | − 343.146 | − 343.1403 |
| SiH4 | − 291.874 | − 291.8631 |
| CS | − 436.229 | − 436.2236 |
| SiO | − 364.734 | − 364.7255 |
| SO | − 473.378 | − 473.3893 |
| ClO | − 535.32 | − 535.3352 |
| CH3Cl | − 500.124 | − 500.1178 |
| CLF | − 559.982 | − 559.9915 |
| CSH4 | − 438.712 | − 438.7029 |
| HOCl | − 535.98 | − 535.9870 |
| SO2 | − 548.659 | − 548.6561 |
| Na2 | − 324.536 | − 324.5576 |
| LiF | − 107.434 | − 107.4343 |
| SiH2 (1A1) | − 290.602 | − 290.5969 |
| Cl2 | − 920.39 | − 920.3977 |
| Si2H6 | − 582.567 | − 582.5472 |
| NaCl | − 622.561 | − 622.5670 |
| Si2 | − 578.839 | − 578.8378 |
| P2 | − 682.704 | − 682.7042 |
| S2 | − 796.384 | − 796.3956 |
| PH2 | − 342.504 | − 342.5055 |
| SiH3 | − 291.221 | − 291.2170 |
| CN | − 92.725 | − 92.72058 |
| C2H2 | − 77.3355 | − 77.32817 |
| NH3 | − 56.5647 | − 56.56075 |