| |
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 | -629.3089609 | -629.6149163 | 0.3059554 | 0.0000000 | 629.6149163 | ||||||
| cm-1 | 220.5 | 280.7 | -60.2 | ||||||||
| eV | -17124.368 | 0.027 | -17124.340 | -17132.693 | 0.035 | -17132.658 | 8.325 | -0.007 | 8.318 | 0.000 | 17132.693 |