| |
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 | -112.3131085 | -112.7906263 | 0.4775177 | 0.0000000 | 112.7906263 | ||||||
| cm-1 | 1098.5 | 1102.5 | -4.0 | ||||||||
| eV | -3056.195 | 0.136 | -3056.059 | -3069.189 | 0.137 | -3069.052 | 12.994 | -0.000 | 12.993 | 0.000 | 3069.189 |