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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 | -128.5473759 | -128.7284683 | 0.1810923 | 0.0000000 | 128.7284683 | ||||||
| cm-1 | 2183.5 | 1819.1 | 364.4 | ||||||||
| eV | -3497.952 | 0.271 | -3497.681 | -3502.880 | 0.226 | -3502.654 | 4.928 | 0.045 | 4.973 | 0.000 | 3502.880 |