| |
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 | -113.2914228 | -113.5770582 | 0.2856353 | 0.0000000 | 113.5770582 | ||||||
| cm-1 | 3362.5 | 2754.7 | 607.7 | ||||||||
| eV | -3082.816 | 0.417 | -3082.400 | -3090.589 | 0.342 | -3090.247 | 7.773 | 0.075 | 7.848 | 0.000 | 3090.589 |