| |
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 | -499.0095103 | -499.4253134 | 0.4158031 | 0.0000000 | 499.4253134 | ||||||
| cm-1 | 7371.0 | 7999.5 | -628.5 | ||||||||
| eV | -13578.739 | 0.914 | -13577.825 | -13590.054 | 0.992 | -13589.062 | 11.315 | -0.078 | 11.237 | 0.000 | 13590.054 |