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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 | -89.4302755 | -89.8020988 | 0.3718233 | 0.0000000 | 89.8020988 | ||||||
| cm-1 | 587.2 | 708.6 | -121.4 | ||||||||
| eV | -2433.522 | 0.073 | -2433.449 | -2443.639 | 0.088 | -2443.552 | 10.118 | -0.015 | 10.103 | 0.000 | 2443.639 |