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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 | -169.6034066 | -169.7885927 | 0.1851861 | 0.0000000 | 169.7885927 | ||||||
| cm-1 | 87.3 | 118.9 | -31.6 | ||||||||
| eV | -4615.143 | 0.011 | -4615.133 | -4620.183 | 0.015 | -4620.168 | 5.039 | -0.004 | 5.035 | 0.000 | 4620.183 |