| |
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 | -118.1303388 | -117.8347889 | -0.2955499 | 0.0000000 | 117.8347889 | ||||||
| cm-1 | 18594.8 | 16801.7 | 1793.1 | ||||||||
| eV | -3214.490 | 2.305 | -3212.185 | -3206.448 | 2.083 | -3204.365 | -8.042 | 0.222 | -7.820 | 0.000 | 3206.448 |