| |
Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
|
|
| You are here: Home > Ions > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy | |
| Cation | Neutral | Difference | Vertical | Difference | |||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
| Hartrees | -212.7888767 | -213.2369888 | 0.4481120 | 0.0000000 | 213.2369888 | ||||||
| cm-1 | 4223.8 | 4378.6 | -154.8 | ||||||||
| eV | -5790.280 | 0.524 | -5789.756 | -5802.474 | 0.543 | -5801.931 | 12.194 | -0.019 | 12.175 | 0.000 | 5802.474 |