![]() |
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 | -114.9875619 | -115.2912716 | 0.3037097 | 0.0000000 | 115.2912716 | ||||||
cm-1 | 9057.6 | 8476.1 | 581.5 | ||||||||
eV | -3128.971 | 1.123 | -3127.848 | -3137.235 | 1.051 | -3136.184 | 8.264 | 0.072 | 8.336 | 0.000 | 3137.235 |