![]() |
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 | -347.4238268 | -347.7546909 | 0.3308641 | 0.0000000 | 347.7546909 | ||||||
cm-1 | 2092.6 | 2396.1 | -303.5 | ||||||||
eV | -9453.883 | 0.259 | -9453.624 | -9462.886 | 0.297 | -9462.589 | 9.003 | -0.038 | 8.966 | 0.000 | 9462.886 |