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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 | -39.2162109 | -39.5466636 | 0.3304528 | 0.0000000 | 39.5466636 | ||||||
| cm-1 | 6653.8 | 6202.2 | 451.5 | ||||||||
| eV | -1067.127 | 0.825 | -1066.302 | -1076.119 | 0.769 | -1075.350 | 8.992 | 0.056 | 9.048 | 0.000 | 1076.119 |