| |
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 | -91.6479902 | -92.2421796 | 0.5941894 | 0.0000000 | 92.2421796 | ||||||
| cm-1 | 989.7 | 919.8 | 69.9 | ||||||||
| eV | -2493.869 | 0.123 | -2493.746 | -2510.037 | 0.114 | -2509.923 | 16.169 | 0.009 | 16.177 | 0.000 | 2510.037 |