![]() |
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 | -15.4799921 | -15.9017437 | 0.4217516 | 0.0000000 | 15.9017437 | ||||||
cm-1 | 1811.3 | 2764.8 | -953.5 | ||||||||
eV | -421.232 | 0.225 | -421.007 | -432.708 | 0.343 | -432.366 | 11.476 | -0.118 | 11.358 | 0.000 | 432.708 |