![]() |
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 | -30.8371527 | -31.2934934 | 0.4563407 | 0.0000000 | 31.2934934 | ||||||
cm-1 | 1105.8 | 887.2 | 218.6 | ||||||||
eV | -839.122 | 0.137 | -838.984 | -851.539 | 0.110 | -851.429 | 12.418 | 0.027 | 12.445 | 0.000 | 851.539 |