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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 | -2233.6241110 | -2233.9845784 | 0.3604674 | 0.0000000 | 2233.9845784 | ||||||
| cm-1 | 1100.4 | 1073.9 | 26.6 | ||||||||
| eV | -60780.003 | 0.136 | -60779.867 | -60789.812 | 0.133 | -60789.679 | 9.809 | 0.003 | 9.812 | 0.000 | 60789.812 |