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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 | -118.1588729 | -117.8602010 | -0.2986719 | 0.0000000 | 117.8602010 | ||||||
| cm-1 | 18772.3 | 16927.7 | 1844.6 | ||||||||
| eV | -3215.266 | 2.327 | -3212.939 | -3207.139 | 2.099 | -3205.040 | -8.127 | 0.229 | -7.899 | 0.000 | 3207.139 |