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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 | -626.1501595 | -626.4489389 | 0.2987794 | 0.0000000 | 626.4489389 | ||||||
| cm-1 | 196.1 | 274.8 | -78.8 | ||||||||
| eV | -17038.412 | 0.024 | -17038.388 | -17046.543 | 0.034 | -17046.508 | 8.130 | -0.010 | 8.120 | 0.000 | 17046.543 |