![]() |
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 | -896.0628309 | -896.4071628 | 0.3443319 | 0.0000000 | 896.4071628 | ||||||
cm-1 | 3813.4 | 3306.5 | 506.9 | ||||||||
eV | -24383.110 | 0.473 | -24382.637 | -24392.479 | 0.410 | -24392.069 | 9.370 | 0.063 | 9.433 | 0.000 | 24392.479 |