![]() |
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 | -113.7730369 | -114.0735516 | 0.3005147 | 0.0000000 | 114.0735516 | ||||||
cm-1 | 9913.9 | 10789.6 | -875.6 | ||||||||
eV | -3095.922 | 1.229 | -3094.693 | -3104.099 | 1.338 | -3102.761 | 8.177 | -0.109 | 8.069 | 0.000 | 3104.099 |