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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 | -749.1804711 | -749.4540107 | 0.2735395 | 0.0000000 | 749.4540107 | ||||||
| cm-1 | 320.1 | 254.0 | 66.0 | ||||||||
| eV | -20386.237 | 0.040 | -20386.198 | -20393.681 | 0.031 | -20393.649 | 7.443 | 0.008 | 7.452 | 0.000 | 20393.681 |