| |
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 | -48.4477203 | -48.6994852 | 0.2517649 | 0.0000000 | 48.6994852 | ||||||
| cm-1 | 248.1 | 555.5 | -307.4 | ||||||||
| eV | -1318.330 | 0.031 | -1318.299 | -1325.180 | 0.069 | -1325.112 | 6.851 | -0.038 | 6.813 | 0.000 | 1325.180 |