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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 | -111.8041753 | -112.3082062 | 0.5040309 | 0.0000000 | 112.3082062 | ||||||
| cm-1 | 1265.8 | 920.6 | 345.2 | ||||||||
| eV | -3042.346 | 0.157 | -3042.189 | -3056.062 | 0.114 | -3055.948 | 13.715 | 0.043 | 13.758 | 0.000 | 3056.062 |