![]() |
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 | -261.7901970 | -262.1479401 | 0.3577431 | 0.0000000 | 262.1479401 | ||||||
cm-1 | 63.3 | 255.7 | -192.4 | ||||||||
eV | -7123.674 | 0.008 | -7123.666 | -7133.408 | 0.032 | -7133.377 | 9.735 | -0.024 | 9.711 | 0.000 | 7133.408 |