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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 | -37.8982314 | -38.2709340 | 0.3727025 | -37.8982276 | 0.3727064 | ||||||
| cm-1 | 1412.4 | 1379.9 | 32.5 | ||||||||
| eV | -1031.263 | 0.175 | -1031.088 | -1041.405 | 0.171 | -1041.234 | 10.142 | 0.004 | 10.146 | -1031.263 | 10.142 |