![]() |
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 | -94.0830180 | -94.4504779 | 0.3674599 | 0.0000000 | 94.4504779 | ||||||
cm-1 | 7787.5 | 8384.4 | -596.9 | ||||||||
eV | -2560.129 | 0.966 | -2559.164 | -2570.128 | 1.040 | -2569.089 | 9.999 | -0.074 | 9.925 | 0.000 | 2570.128 |