![]() |
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 | -5144.9874868 | -5145.3755860 | 0.3880992 | 0.0000000 | 5145.3755860 | ||||||
cm-1 | 187.8 | 165.1 | 22.8 | ||||||||
eV | -140002.229 | 0.023 | -140002.206 | -140012.790 | 0.020 | -140012.770 | 10.561 | 0.003 | 10.564 | 0.000 | 140012.790 |