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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 | -112.2726722 | -112.7501506 | 0.4774784 | -112.2719100 | 0.4782406 | ||||||
| cm-1 | 1093.8 | 1103.8 | -10.0 | ||||||||
| eV | -3055.095 | 0.136 | -3054.959 | -3068.088 | 0.137 | -3067.951 | 12.993 | -0.001 | 12.992 | -3055.074 | 13.014 |