![]() |
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 | -5145.0018013 | -5145.3929157 | 0.3911144 | 0.0000000 | 5145.3929157 | ||||||
cm-1 | 183.1 | 159.4 | 23.8 | ||||||||
eV | -140002.619 | 0.023 | -140002.596 | -140013.262 | 0.020 | -140013.242 | 10.643 | 0.003 | 10.646 | 0.000 | 140013.262 |