![]() |
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 | -118.0707986 | -118.3384915 | 0.2676929 | 0.0000000 | 118.3384915 | ||||||
cm-1 | 19372.9 | 19297.3 | 75.6 | ||||||||
eV | -3212.870 | 2.402 | -3210.468 | -3220.154 | 2.393 | -3217.762 | 7.284 | 0.009 | 7.294 | 0.000 | 3220.154 |