![]() |
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 | -919.5323622 | -919.9466166 | 0.4142544 | 0.0000000 | 919.9466166 | ||||||
cm-1 | 292.4 | 250.7 | 41.7 | ||||||||
eV | -25021.748 | 0.036 | -25021.712 | -25033.021 | 0.031 | -25032.989 | 11.272 | 0.005 | 11.278 | 0.000 | 25033.021 |