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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 | -0.5904790 | -1.1533916 | 0.5629126 | 0.0000000 | 1.1533916 | ||||||
| cm-1 | 1071.6 | 1987.5 | -915.8 | ||||||||
| eV | -16.068 | 0.133 | -15.935 | -31.385 | 0.246 | -31.139 | 15.318 | -0.114 | 15.204 | 0.000 | 31.385 |