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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 | -113.5928077 | -113.9013944 | 0.3085867 | 0.0000000 | 113.9013944 | ||||||
| cm-1 | 3484.7 | 2751.4 | 733.3 | ||||||||
| eV | -3091.017 | 0.432 | -3090.585 | -3099.415 | 0.341 | -3099.073 | 8.397 | 0.091 | 8.488 | 0.000 | 3099.415 |