![]() |
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 | -833.6363278 | -834.0109768 | 0.3746491 | 0.0000000 | 834.0109768 | ||||||
cm-1 | 1199.3 | 1383.5 | -184.3 | ||||||||
eV | -22684.398 | 0.149 | -22684.249 | -22694.593 | 0.172 | -22694.421 | 10.195 | -0.023 | 10.172 | 0.000 | 22694.593 |