![]() |
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 | -153.4052840 | -153.7762178 | 0.3709338 | 0.0000000 | 153.7762178 | ||||||
cm-1 | 11288.2 | 12053.8 | -765.7 | ||||||||
eV | -4174.370 | 1.400 | -4172.971 | -4184.464 | 1.494 | -4182.969 | 10.094 | -0.095 | 9.999 | 0.000 | 4184.464 |