![]() |
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 | -38.2897728 | -38.6242250 | 0.3344523 | 0.0000000 | 38.6242250 | ||||||
cm-1 | 3229.3 | 3625.9 | -396.6 | ||||||||
eV | -1041.918 | 0.400 | -1041.517 | -1051.019 | 0.450 | -1050.569 | 9.101 | -0.049 | 9.052 | 0.000 | 1051.019 |