![]() |
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 | -94.0327639 | -94.3898274 | 0.3570635 | 0.0000000 | 94.3898274 | ||||||
cm-1 | 8127.4 | 8868.8 | -741.4 | ||||||||
eV | -2558.762 | 1.008 | -2557.754 | -2568.478 | 1.100 | -2567.378 | 9.716 | -0.092 | 9.624 | 0.000 | 2568.478 |