| |
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 | -2399.1835247 | -2399.5363967 | 0.3528720 | 0.0000000 | 2399.5363967 | ||||||
| cm-1 | 1119.5 | 1152.1 | -32.6 | ||||||||
| eV | -65285.104 | 0.139 | -65284.965 | -65294.706 | 0.143 | -65294.563 | 9.602 | -0.004 | 9.598 | 0.000 | 65294.706 |