![]() |
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 | -115.2731561 | -115.6633182 | 0.3901622 | 0.0000000 | 115.6633182 | ||||||
cm-1 | 9927.4 | 10845.6 | -918.3 | ||||||||
eV | -3136.742 | 1.231 | -3135.511 | -3147.359 | 1.345 | -3146.014 | 10.617 | -0.114 | 10.503 | 0.000 | 3147.359 |