| |
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 | -131.2844757 | -131.6084466 | 0.3239708 | 0.0000000 | 131.6084466 | ||||||
| cm-1 | 9982.6 | 8619.8 | 1362.8 | ||||||||
| eV | -3572.432 | 1.238 | -3571.195 | -3581.248 | 1.069 | -3580.179 | 8.816 | 0.169 | 8.985 | 0.000 | 3581.248 |