| |
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 | -75.1754497 | -75.6470918 | 0.4716422 | 0.0000000 | 75.6470918 | ||||||
| cm-1 | 1466.2 | 1781.1 | -314.9 | ||||||||
| eV | -2045.628 | 0.182 | -2045.446 | -2058.462 | 0.221 | -2058.241 | 12.834 | -0.039 | 12.795 | 0.000 | 2058.462 |