![]() |
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 | -94.2222796 | -94.5728073 | 0.3505277 | 0.0000000 | 94.5728073 | ||||||
cm-1 | 8158.6 | 8881.0 | -722.4 | ||||||||
eV | -2563.919 | 1.012 | -2562.907 | -2573.457 | 1.101 | -2572.356 | 9.538 | -0.090 | 9.449 | 0.000 | 2573.457 |