| |
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 | -188.7402531 | -189.0445074 | 0.3042543 | 0.0000000 | 189.0445074 | ||||||
| cm-1 | 4555.6 | 4480.0 | 75.6 | ||||||||
| eV | -5135.883 | 0.565 | -5135.319 | -5144.163 | 0.555 | -5143.607 | 8.279 | 0.009 | 8.289 | 0.000 | 5144.163 |