| |
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 | -48.6570795 | -49.0323577 | 0.3752782 | 0.0000000 | 49.0323577 | ||||||
| cm-1 | 210.4 | 515.6 | -305.2 | ||||||||
| eV | -1324.026 | 0.026 | -1324.000 | -1334.238 | 0.064 | -1334.174 | 10.212 | -0.038 | 10.174 | 0.000 | 1334.238 |