| |
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 | -106.1431439 | -106.4865414 | 0.3433975 | 0.0000000 | 106.4865414 | ||||||
| cm-1 | 186.8 | 508.9 | -322.0 | ||||||||
| eV | -2888.302 | 0.023 | -2888.279 | -2897.646 | 0.063 | -2897.583 | 9.344 | -0.040 | 9.304 | 0.000 | 2897.646 |