![]() |
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 | -113.9844473 | -114.3107078 | 0.3262606 | 0.0000000 | 114.3107078 | ||||||
cm-1 | 687.8 | 607.6 | 80.2 | ||||||||
eV | -3101.675 | 0.085 | -3101.589 | -3110.553 | 0.075 | -3110.477 | 8.878 | 0.010 | 8.888 | 0.000 | 3110.553 |