| |
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 | -76.6557737 | -76.9627958 | 0.3070221 | -76.6096708 | 0.3531250 | ||||||
| cm-1 | 7650.6 | 7696.7 | -46.1 | ||||||||
| eV | -2085.910 | 0.949 | -2084.961 | -2094.264 | 0.954 | -2093.310 | 8.354 | -0.006 | 8.349 | -2084.655 | 9.609 |