| |
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 | -342.8867364 | -343.0721739 | 0.1854374 | 0.0000000 | 343.0721739 | ||||||
| cm-1 | 7476.7 | 6190.5 | 1286.2 | ||||||||
| eV | -9330.423 | 0.927 | -9329.496 | -9335.469 | 0.768 | -9334.701 | 5.046 | 0.159 | 5.205 | 0.000 | 9335.469 |