![]() |
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 | -115.6433081 | -115.9552926 | 0.3119845 | 0.0000000 | 115.9552926 | ||||||
cm-1 | 9038.1 | 8641.3 | 396.8 | ||||||||
eV | -3146.814 | 1.121 | -3145.694 | -3155.304 | 1.071 | -3154.233 | 8.490 | 0.049 | 8.539 | 0.000 | 3155.304 |