![]() |
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 | -7.7540928 | -8.0366182 | 0.2825254 | 0.0000000 | 8.0366182 | ||||||
cm-1 | 210.7 | 669.9 | -459.2 | ||||||||
eV | -211.000 | 0.026 | -210.973 | -218.688 | 0.083 | -218.604 | 7.688 | -0.057 | 7.631 | 0.000 | 218.688 |