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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 | -110.0623679 | -110.3953288 | 0.3329609 | 0.0000000 | 110.3953288 | ||||||
| cm-1 | 6277.4 | 6010.1 | 267.3 | ||||||||
| eV | -2994.949 | 0.778 | -2994.171 | -3004.010 | 0.745 | -3003.265 | 9.060 | 0.033 | 9.093 | 0.000 | 3004.010 |