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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 | -129.2391888 | -129.5714628 | 0.3322740 | 0.0000000 | 129.5714628 | ||||||
| cm-1 | 1122.2 | 917.8 | 204.3 | ||||||||
| eV | -3516.777 | 0.139 | -3516.638 | -3525.819 | 0.114 | -3525.705 | 9.042 | 0.025 | 9.067 | 0.000 | 3525.819 |