![]() |
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 | -129.4373440 | -129.8283162 | 0.3909722 | 0.0000000 | 129.8283162 | ||||||
cm-1 | 2845.1 | 2887.1 | -42.0 | ||||||||
eV | -3522.169 | 0.353 | -3521.817 | -3532.808 | 0.358 | -3532.450 | 10.639 | -0.005 | 10.634 | 0.000 | 3532.808 |