| |
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 | -113.9513305 | -114.3456662 | 0.3943357 | 0.0000000 | 114.3456662 | ||||||
| cm-1 | 5152.6 | 5669.6 | -517.0 | ||||||||
| eV | -3100.773 | 0.639 | -3100.135 | -3111.504 | 0.703 | -3110.801 | 10.730 | -0.064 | 10.666 | 0.000 | 3111.504 |