| |
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 | -77.7390867 | -78.0628245 | 0.3237378 | 0.0000000 | 78.0628245 | ||||||
| cm-1 | 10406.7 | 10769.3 | -362.6 | ||||||||
| eV | -2115.388 | 1.290 | -2114.098 | -2124.197 | 1.335 | -2122.862 | 8.809 | -0.045 | 8.764 | 0.000 | 2124.197 |