![]() |
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 | -5150.6574287 | -5151.0350706 | 0.3776419 | 0.0000000 | 5151.0350706 | ||||||
cm-1 | 170.1 | 150.8 | 19.2 | ||||||||
eV | -140156.516 | 0.021 | -140156.495 | -140166.793 | 0.019 | -140166.774 | 10.276 | 0.002 | 10.279 | 0.000 | 140166.793 |