![]() |
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 | -15.3725991 | -15.7685216 | 0.3959226 | 0.0000000 | 15.7685216 | ||||||
cm-1 | 1675.5 | 2674.2 | -998.7 | ||||||||
eV | -418.310 | 0.208 | -418.102 | -429.083 | 0.332 | -428.752 | 10.774 | -0.124 | 10.650 | 0.000 | 429.083 |