![]() |
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 | -395.6138324 | -396.0514847 | 0.4376523 | 0.0000000 | 396.0514847 | ||||||
cm-1 | 667.8 | 700.6 | -32.8 | ||||||||
eV | -10765.200 | 0.083 | -10765.117 | -10777.109 | 0.087 | -10777.022 | 11.909 | -0.004 | 11.905 | 0.000 | 10777.109 |