![]() |
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 | -129.8151348 | -130.1720912 | 0.3569564 | 0.0000000 | 130.1720912 | ||||||
cm-1 | 2901.2 | 2911.7 | -10.5 | ||||||||
eV | -3532.449 | 0.360 | -3532.090 | -3542.163 | 0.361 | -3541.802 | 9.713 | -0.001 | 9.712 | 0.000 | 3542.163 |