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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 | -55.5002428 | -55.9054952 | 0.4052524 | 0.0000000 | 55.9054952 | ||||||
| cm-1 | 3577.5 | 4003.0 | -425.5 | ||||||||
| eV | -1510.238 | 0.444 | -1509.795 | -1521.266 | 0.496 | -1520.770 | 11.027 | -0.053 | 10.975 | 0.000 | 1521.266 |