![]() |
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 | -630.5087367 | -630.8307932 | 0.3220564 | 0.0000000 | 630.8307932 | ||||||
cm-1 | 235.9 | 300.4 | -64.5 | ||||||||
eV | -17157.015 | 0.029 | -17156.986 | -17165.779 | 0.037 | -17165.742 | 8.764 | -0.008 | 8.756 | 0.000 | 17165.779 |