![]() |
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 | -56.1956546 | -56.5707990 | 0.3751444 | 0.0000000 | 56.5707990 | ||||||
cm-1 | 6924.6 | 7243.5 | -318.9 | ||||||||
eV | -1529.162 | 0.859 | -1528.303 | -1539.370 | 0.898 | -1538.472 | 10.208 | -0.040 | 10.169 | 0.000 | 1539.370 |