| |
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 | -405.2810064 | -405.5683710 | 0.2873646 | 0.0000000 | 405.5683710 | ||||||
| cm-1 | 160.0 | 273.5 | -113.4 | ||||||||
| eV | -11028.257 | 0.020 | -11028.237 | -11036.077 | 0.034 | -11036.043 | 7.820 | -0.014 | 7.806 | 0.000 | 11036.077 |