| |
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 | -138.6051844 | -138.9312658 | 0.3260814 | 0.0000000 | 138.9312658 | ||||||
| cm-1 | 5726.5 | 5243.9 | 482.6 | ||||||||
| eV | -3771.639 | 0.710 | -3770.929 | -3780.512 | 0.650 | -3779.862 | 8.873 | 0.060 | 8.933 | 0.000 | 3780.512 |