![]() |
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 | -129.8417809 | -130.2105518 | 0.3687710 | 0.0000000 | 130.2105518 | ||||||
cm-1 | 2966.9 | 2995.9 | -29.0 | ||||||||
eV | -3533.175 | 0.368 | -3532.807 | -3543.209 | 0.371 | -3542.838 | 10.035 | -0.004 | 10.031 | 0.000 | 3543.209 |