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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 | -389.0950013 | -389.3725001 | 0.2774988 | 0.0000000 | 389.3725001 | ||||||
| cm-1 | 476.1 | 387.4 | 88.6 | ||||||||
| eV | -10587.813 | 0.059 | -10587.754 | -10595.365 | 0.048 | -10595.317 | 7.551 | 0.011 | 7.562 | 0.000 | 10595.365 |