![]() |
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 | -138.0405190 | -138.4935339 | 0.4530149 | 0.0000000 | 138.4935339 | ||||||
cm-1 | 7832.3 | 8242.4 | -410.0 | ||||||||
eV | -3756.274 | 0.971 | -3755.302 | -3768.601 | 1.022 | -3767.579 | 12.327 | -0.051 | 12.276 | 0.000 | 3768.601 |