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 | -9.7035001 | -9.9854137 | 0.2819136 | 0.0000000 | 9.9854137 | ||||||
cm-1 | 130.0 | 288.4 | -158.4 | ||||||||
eV | -264.046 | 0.016 | -264.030 | -271.717 | 0.036 | -271.681 | 7.671 | -0.020 | 7.652 | 0.000 | 271.717 |