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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 | -118.0456995 | -117.7462472 | -0.2994523 | 0.0000000 | 117.7462472 | ||||||
| cm-1 | 18713.3 | 16864.0 | 1849.3 | ||||||||
| eV | -3212.187 | 2.320 | -3209.867 | -3204.038 | 2.091 | -3201.947 | -8.149 | 0.229 | -7.919 | 0.000 | 3204.038 |