![]() |
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 | -115.6558300 | -115.9695523 | 0.3137223 | 0.0000000 | 115.9695523 | ||||||
cm-1 | 9018.0 | 8653.4 | 364.6 | ||||||||
eV | -3147.155 | 1.118 | -3146.037 | -3155.692 | 1.073 | -3154.619 | 8.537 | 0.045 | 8.582 | 0.000 | 3155.692 |