![]() |
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 | -77.5577309 | -77.8729539 | 0.3152229 | 0.0000000 | 77.8729539 | ||||||
cm-1 | 7329.9 | 7685.5 | -355.5 | ||||||||
eV | -2110.453 | 0.909 | -2109.544 | -2119.031 | 0.953 | -2118.078 | 8.578 | -0.044 | 8.534 | 0.000 | 2119.031 |