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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 | -389.0318986 | -389.3043704 | 0.2724718 | 0.0000000 | 389.3043704 | ||||||
| cm-1 | 491.2 | 414.8 | 76.5 | ||||||||
| eV | -10586.096 | 0.061 | -10586.035 | -10593.511 | 0.051 | -10593.459 | 7.414 | 0.009 | 7.424 | 0.000 | 10593.511 |