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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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| 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 | -477.7081262 | -478.0208778 | 0.3127516 | 0.0000000 | 478.0208778 | ||||||
| cm-1 | 15801.4 | 16118.2 | -316.8 | ||||||||
| eV | -12999.099 | 1.959 | -12997.140 | -13007.610 | 1.998 | -13005.611 | 8.510 | -0.039 | 8.471 | 0.000 | 13007.610 |