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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 | -132.2992032 | -132.6640988 | 0.3648957 | 0.0000000 | 132.6640988 | ||||||
| cm-1 | 9085.8 | 9546.3 | -460.5 | ||||||||
| eV | -3600.044 | 1.126 | -3598.918 | -3609.974 | 1.184 | -3608.790 | 9.929 | -0.057 | 9.872 | 0.000 | 3609.974 |