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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 | -397.9470531 | -398.3216116 | 0.3745585 | 0.0000000 | 398.3216116 | ||||||
| cm-1 | 1272.0 | 1346.3 | -74.3 | ||||||||
| eV | -10828.690 | 0.158 | -10828.532 | -10838.882 | 0.167 | -10838.715 | 10.192 | -0.009 | 10.183 | 0.000 | 10838.882 |