| |
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 | -1.3783646 | -1.6034153 | 0.2250507 | 0.0000000 | 1.6034153 | ||||||
| cm-1 | 94.5 | 8.7 | 85.8 | ||||||||
| eV | -37.507 | 0.012 | -37.495 | -43.631 | 0.001 | -43.630 | 6.124 | 0.011 | 6.135 | 0.000 | 43.631 |