![]() |
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 | -75.2107045 | -75.6036417 | 0.3929372 | 0.0000000 | 75.6036417 | ||||||
cm-1 | 636.6 | 911.9 | -275.3 | ||||||||
eV | -2046.587 | 0.079 | -2046.508 | -2057.280 | 0.113 | -2057.167 | 10.692 | -0.034 | 10.658 | 0.000 | 2057.280 |