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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 | -343.5616921 | -343.9344309 | 0.3727389 | 0.0000000 | 343.9344309 | ||||||
| cm-1 | 443.7 | 564.6 | -120.8 | ||||||||
| eV | -9348.789 | 0.055 | -9348.734 | -9358.932 | 0.070 | -9358.862 | 10.143 | -0.015 | 10.128 | 0.000 | 9358.932 |