![]() |
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 | -578.4298354 | -578.7657443 | 0.3359089 | 0.0000000 | 578.7657443 | ||||||
cm-1 | 247.5 | 274.0 | -26.4 | ||||||||
eV | -15739.876 | 0.031 | -15739.846 | -15749.017 | 0.034 | -15748.983 | 9.141 | -0.003 | 9.137 | 0.000 | 15749.017 |