| |
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 | -608.5895026 | -608.9901847 | 0.4006821 | 0.0000000 | 608.9901847 | ||||||
| cm-1 | 1591.6 | 1254.4 | 337.3 | ||||||||
| eV | -16560.563 | 0.197 | -16560.365 | -16571.466 | 0.156 | -16571.310 | 10.903 | 0.042 | 10.945 | 0.000 | 16571.466 |