![]() |
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 | -547.8412503 | -548.2716392 | 0.4303889 | 0.0000000 | 548.2716392 | ||||||
cm-1 | 1275.6 | 1392.9 | -117.3 | ||||||||
eV | -14907.519 | 0.158 | -14907.360 | -14919.230 | 0.173 | -14919.057 | 11.711 | -0.015 | 11.697 | 0.000 | 14919.230 |