![]() |
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 | -75.5005523 | -75.8904716 | 0.3899193 | 0.0000000 | 75.8904716 | ||||||
cm-1 | 641.6 | 900.6 | -259.0 | ||||||||
eV | -2054.475 | 0.080 | -2054.395 | -2065.085 | 0.112 | -2064.973 | 10.610 | -0.032 | 10.578 | 0.000 | 2065.085 |