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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 | -77.5708510 | -77.8854811 | 0.3146302 | 0.0000000 | 77.8854811 | ||||||
| cm-1 | 7537.5 | 7817.2 | -279.7 | ||||||||
| eV | -2110.810 | 0.935 | -2109.876 | -2119.372 | 0.969 | -2118.403 | 8.562 | -0.035 | 8.527 | 0.000 | 2119.372 |