| |
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 | -337.1400074 | -337.4621024 | 0.3220950 | 0.0000000 | 337.4621024 | ||||||
| cm-1 | 3078.0 | 2588.1 | 489.9 | ||||||||
| eV | -9174.046 | 0.382 | -9173.665 | -9182.811 | 0.321 | -9182.490 | 8.765 | 0.061 | 8.825 | 0.000 | 9182.811 |