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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 | -1192.6560397 | -1192.9928761 | 0.3368364 | 0.0000000 | 1192.9928761 | ||||||
| cm-1 | 781.7 | 702.1 | 79.6 | ||||||||
| eV | -32453.821 | 0.097 | -32453.724 | -32462.987 | 0.087 | -32462.900 | 9.166 | 0.010 | 9.176 | 0.000 | 32462.987 |