| |
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 | -113.5721253 | -113.9186455 | 0.3465202 | 0.0000000 | 113.9186455 | ||||||
| cm-1 | 5375.8 | 5711.5 | -335.7 | ||||||||
| eV | -3090.455 | 0.667 | -3089.788 | -3099.884 | 0.708 | -3099.176 | 9.429 | -0.042 | 9.388 | 0.000 | 3099.884 |