![]() |
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 | -312.3111049 | -312.7806916 | 0.4695867 | 0.0000000 | 312.7806916 | ||||||
cm-1 | 2905.2 | 2969.8 | -64.6 | ||||||||
eV | -8498.417 | 0.360 | -8498.057 | -8511.195 | 0.368 | -8510.827 | 12.778 | -0.008 | 12.770 | 0.000 | 8511.195 |