![]() |
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 | -15.3695083 | -15.7679460 | 0.3984377 | 0.0000000 | 15.7679460 | ||||||
cm-1 | 1785.4 | 2741.6 | -956.2 | ||||||||
eV | -418.226 | 0.221 | -418.004 | -429.068 | 0.340 | -428.728 | 10.842 | -0.119 | 10.723 | 0.000 | 429.068 |