![]() |
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 | -130.0358167 | -130.3965580 | 0.3607413 | 0.0000000 | 130.3965580 | ||||||
cm-1 | 2854.7 | 2940.3 | -85.6 | ||||||||
eV | -3538.455 | 0.354 | -3538.101 | -3548.271 | 0.365 | -3547.906 | 9.816 | -0.011 | 9.806 | 0.000 | 3548.271 |