| |
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 | -38.7523874 | -39.1230350 | 0.3706477 | 0.0000000 | 39.1230350 | ||||||
| cm-1 | 3500.3 | 3692.4 | -192.1 | ||||||||
| eV | -1054.506 | 0.434 | -1054.072 | -1064.592 | 0.458 | -1064.134 | 10.086 | -0.024 | 10.062 | 0.000 | 1064.592 |