![]() |
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 | -164.2284416 | -164.6213442 | 0.3929026 | 0.0000000 | 164.6213442 | ||||||
cm-1 | 4072.8 | 4526.9 | -454.1 | ||||||||
eV | -4468.883 | 0.505 | -4468.378 | -4479.575 | 0.561 | -4479.013 | 10.691 | -0.056 | 10.635 | 0.000 | 4479.575 |