![]() |
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 | -896.7445426 | -897.1236954 | 0.3791529 | 0.0000000 | 897.1236954 | ||||||
cm-1 | 3658.1 | 3060.4 | 597.7 | ||||||||
eV | -24401.660 | 0.454 | -24401.206 | -24411.977 | 0.379 | -24411.598 | 10.317 | 0.074 | 10.391 | 0.000 | 24411.977 |