| |
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 | -2151.9695263 | -2152.3714352 | 0.4019089 | 0.0000000 | 2152.3714352 | ||||||
| cm-1 | 416.4 | 467.1 | -50.7 | ||||||||
| eV | -58558.069 | 0.052 | -58558.017 | -58569.005 | 0.058 | -58568.947 | 10.936 | -0.006 | 10.930 | 0.000 | 58569.005 |