| |
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 | -200.2221947 | -200.4798152 | 0.2576205 | 0.0000000 | 200.4798152 | ||||||
| cm-1 | 809.6 | 693.8 | 115.8 | ||||||||
| eV | -5448.323 | 0.100 | -5448.223 | -5455.333 | 0.086 | -5455.247 | 7.010 | 0.014 | 7.025 | 0.000 | 5455.333 |