![]() |
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 | -455.1698568 | -455.5965104 | 0.4266536 | 0.0000000 | 455.5965104 | ||||||
cm-1 | 1313.3 | 1566.6 | -253.3 | ||||||||
eV | -12385.802 | 0.163 | -12385.639 | -12397.412 | 0.194 | -12397.217 | 11.610 | -0.031 | 11.578 | 0.000 | 12397.412 |