![]() |
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 | -298.8383430 | -299.1229792 | 0.2846362 | 0.0000000 | 299.1229792 | ||||||
cm-1 | 385.7 | 335.9 | 49.8 | ||||||||
eV | -8131.805 | 0.048 | -8131.757 | -8139.550 | 0.042 | -8139.509 | 7.745 | 0.006 | 7.752 | 0.000 | 8139.550 |