| |
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 | -118.1781265 | -117.8736840 | -0.3044425 | 0.0000000 | 117.8736840 | ||||||
| cm-1 | 18601.0 | 16800.0 | 1801.0 | ||||||||
| eV | -3215.790 | 2.306 | -3213.484 | -3207.506 | 2.083 | -3205.423 | -8.284 | 0.223 | -8.061 | 0.000 | 3207.506 |