![]() |
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 | -2642.3176337 | -2642.6361308 | 0.3184971 | 0.0000000 | 2642.6361308 | ||||||
cm-1 | 100.8 | 362.1 | -261.2 | ||||||||
eV | -71901.119 | 0.013 | -71901.107 | -71909.786 | 0.045 | -71909.741 | 8.667 | -0.032 | 8.634 | 0.000 | 71909.786 |