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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 | -131.6978928 | -132.0581281 | 0.3602352 | 0.0000000 | 132.0581281 | ||||||
| cm-1 | 9466.1 | 9410.9 | 55.2 | ||||||||
| eV | -3583.682 | 1.174 | -3582.508 | -3593.484 | 1.167 | -3592.318 | 9.802 | 0.007 | 9.809 | 0.000 | 3593.484 |