![]() |
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 | -290.2778133 | -290.6084039 | 0.3305906 | 0.0000000 | 290.6084039 | ||||||
cm-1 | 2524.4 | 2485.3 | 39.1 | ||||||||
eV | -7898.861 | 0.313 | -7898.548 | -7907.857 | 0.308 | -7907.549 | 8.996 | 0.005 | 9.001 | 0.000 | 7907.857 |