| |
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 | -116.8183060 | -117.1118618 | 0.2935558 | 0.0000000 | 117.1118618 | ||||||
| cm-1 | 14438.9 | 13964.9 | 473.9 | ||||||||
| eV | -3178.788 | 1.790 | -3176.998 | -3186.776 | 1.731 | -3185.044 | 7.988 | 0.059 | 8.047 | 0.000 | 3186.776 |