![]() |
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 | -129.4203937 | -129.7563073 | 0.3359136 | 0.0000000 | 129.7563073 | ||||||
cm-1 | 1187.5 | 911.0 | 276.5 | ||||||||
eV | -3521.708 | 0.147 | -3521.561 | -3530.849 | 0.113 | -3530.736 | 9.141 | 0.034 | 9.175 | 0.000 | 3530.849 |