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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 | -49.0021978 | -49.3304893 | 0.3282915 | 0.0000000 | 49.3304893 | ||||||
| cm-1 | 193.3 | 491.2 | -297.9 | ||||||||
| eV | -1333.418 | 0.024 | -1333.394 | -1342.351 | 0.061 | -1342.290 | 8.933 | -0.037 | 8.896 | 0.000 | 1342.351 |