![]() |
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 | -1416.4691295 | -1416.7491882 | 0.2800587 | -1416.4343741 | 0.3148142 | ||||||
cm-1 | 1884.3 | 1591.7 | 292.7 | ||||||||
eV | -38544.085 | 0.234 | -38543.852 | -38551.706 | 0.197 | -38551.509 | 7.621 | 0.036 | 7.657 | -38543.139 | 8.567 |