| |
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 | -114.5671851 | -114.9396362 | 0.3724511 | 0.0000000 | 114.9396362 | ||||||
| cm-1 | 9980.4 | 10791.2 | -810.8 | ||||||||
| eV | -3117.532 | 1.237 | -3116.294 | -3127.667 | 1.338 | -3126.329 | 10.135 | -0.101 | 10.034 | 0.000 | 3127.667 |