| |
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 | -92.4400236 | -92.8283739 | 0.3883502 | 0.0000000 | 92.8283739 | ||||||
| cm-1 | 3250.8 | 3518.6 | -267.8 | ||||||||
| eV | -2515.421 | 0.403 | -2515.018 | -2525.989 | 0.436 | -2525.552 | 10.568 | -0.033 | 10.534 | 0.000 | 2525.989 |