![]() |
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 | -129.9960753 | -130.3653104 | 0.3692351 | 0.0000000 | 130.3653104 | ||||||
cm-1 | 2847.5 | 2880.7 | -33.1 | ||||||||
eV | -3537.373 | 0.353 | -3537.020 | -3547.421 | 0.357 | -3547.063 | 10.047 | -0.004 | 10.043 | 0.000 | 3547.421 |