![]() |
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 | -62.2778266 | -62.6768412 | 0.3990145 | 0.0000000 | 62.6768412 | ||||||
cm-1 | 532.2 | 580.2 | -48.1 | ||||||||
eV | -1694.666 | 0.066 | -1694.600 | -1705.524 | 0.072 | -1705.452 | 10.858 | -0.006 | 10.852 | 0.000 | 1705.524 |