| |
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 | -130.6258235 | -130.9560212 | 0.3301977 | 0.0000000 | 130.9560212 | ||||||
| cm-1 | 8590.4 | 9443.2 | -852.8 | ||||||||
| eV | -3554.509 | 1.065 | -3553.444 | -3563.495 | 1.171 | -3562.324 | 8.985 | -0.106 | 8.879 | 0.000 | 3563.495 |