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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 | -131.0572113 | -131.3778631 | 0.3206518 | 0.0000000 | 131.3778631 | ||||||
| cm-1 | 8424.1 | 8554.1 | -129.9 | ||||||||
| eV | -3566.248 | 1.044 | -3565.204 | -3574.973 | 1.061 | -3573.913 | 8.725 | -0.016 | 8.709 | 0.000 | 3574.973 |