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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 | -77.3652545 | -77.6653945 | 0.3001400 | 0.0000000 | 77.6653945 | ||||||
| cm-1 | 7192.1 | 8022.6 | -830.5 | ||||||||
| eV | -2105.216 | 0.892 | -2104.324 | -2113.383 | 0.995 | -2112.388 | 8.167 | -0.103 | 8.064 | 0.000 | 2113.383 |