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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 | -388.3327846 | -388.5861586 | 0.2533740 | 0.0000000 | 388.5861586 | ||||||
| cm-1 | 500.2 | 418.5 | 81.7 | ||||||||
| eV | -10567.072 | 0.062 | -10567.010 | -10573.967 | 0.052 | -10573.915 | 6.895 | 0.010 | 6.905 | 0.000 | 10573.967 |