| |
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 | -114.7967244 | -115.0709589 | 0.2742345 | 0.0000000 | 115.0709589 | ||||||
| cm-1 | 8590.0 | 7885.9 | 704.0 | ||||||||
| eV | -3123.778 | 1.065 | -3122.713 | -3131.240 | 0.978 | -3130.262 | 7.462 | 0.087 | 7.550 | 0.000 | 3131.240 |