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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 | -132.3262017 | -132.6914215 | 0.3652198 | 0.0000000 | 132.6914215 | ||||||
| cm-1 | 9046.4 | 9531.4 | -485.1 | ||||||||
| eV | -3600.779 | 1.122 | -3599.657 | -3610.717 | 1.182 | -3609.535 | 9.938 | -0.060 | 9.878 | 0.000 | 3610.717 |