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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 | -1043.5880733 | -1043.7990885 | 0.2110152 | 0.0000000 | 1043.7990885 | ||||||
| cm-1 | 896.9 | 711.6 | 185.3 | ||||||||
| eV | -28397.476 | 0.111 | -28397.364 | -28403.218 | 0.088 | -28403.129 | 5.742 | 0.023 | 5.765 | 0.000 | 28403.218 |