![]() |
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 | -152.3846278 | -152.7499298 | 0.3653020 | 0.0000000 | 152.7499298 | ||||||
cm-1 | 11657.7 | 12123.3 | -465.6 | ||||||||
eV | -4146.597 | 1.445 | -4145.151 | -4156.537 | 1.503 | -4155.034 | 9.940 | -0.058 | 9.883 | 0.000 | 4156.537 |