![]() |
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 | -114.9586892 | -115.2611509 | 0.3024617 | -114.9570206 | 0.3041303 | ||||||
cm-1 | 9032.8 | 8406.1 | 626.7 | ||||||||
eV | -3128.185 | 1.120 | -3127.065 | -3136.415 | 1.042 | -3135.373 | 8.230 | 0.078 | 8.308 | -3128.140 | 8.276 |