![]() |
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 | -299.4907358 | -299.7839295 | 0.2931937 | 0.0000000 | 299.7839295 | ||||||
cm-1 | 385.8 | 332.0 | 53.8 | ||||||||
eV | -8149.557 | 0.048 | -8149.510 | -8157.536 | 0.041 | -8157.494 | 7.978 | 0.007 | 7.985 | 0.000 | 8157.536 |