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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 | -25.9479258 | -26.4057321 | 0.4578063 | 0.0000000 | 26.4057321 | ||||||
| cm-1 | 4360.4 | 5504.1 | -1143.7 | ||||||||
| eV | -706.079 | 0.541 | -705.538 | -718.537 | 0.682 | -717.854 | 12.458 | -0.142 | 12.316 | 0.000 | 718.537 |