![]() |
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 | -93.0791611 | -93.3924356 | 0.3132745 | 0.0000000 | 93.3924356 | ||||||
cm-1 | 8364.9 | 9435.3 | -1070.3 | ||||||||
eV | -2532.813 | 1.037 | -2531.776 | -2541.337 | 1.170 | -2540.168 | 8.525 | -0.133 | 8.392 | 0.000 | 2541.337 |