| |
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 | -118.2129556 | -117.9116862 | -0.3012694 | 0.0000000 | 117.9116862 | ||||||
| cm-1 | 18633.2 | 16841.2 | 1792.1 | ||||||||
| eV | -3216.738 | 2.310 | -3214.428 | -3208.540 | 2.088 | -3206.452 | -8.198 | 0.222 | -7.976 | 0.000 | 3208.540 |