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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 | -69.0020338 | -69.3201151 | 0.3180813 | 0.0000000 | 69.3201151 | ||||||
| cm-1 | 476.4 | 441.1 | 35.3 | ||||||||
| eV | -1877.641 | 0.059 | -1877.582 | -1886.296 | 0.055 | -1886.242 | 8.655 | 0.004 | 8.660 | 0.000 | 1886.296 |