![]() |
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 | -1396.2947774 | -1396.7306726 | 0.4358952 | 0.0000000 | 1396.7306726 | ||||||
cm-1 | 1748.6 | 1508.2 | 240.3 | ||||||||
eV | -37995.113 | 0.217 | -37994.896 | -38006.974 | 0.187 | -38006.787 | 11.861 | 0.030 | 11.891 | 0.000 | 38006.974 |