![]() |
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 | -77.3594672 | -77.6707194 | 0.3112523 | 0.0000000 | 77.6707194 | ||||||
cm-1 | 7525.1 | 8104.8 | -579.7 | ||||||||
eV | -2105.058 | 0.933 | -2104.125 | -2113.528 | 1.005 | -2112.523 | 8.470 | -0.072 | 8.398 | 0.000 | 2113.528 |