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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 | -131.2716002 | -131.5962613 | 0.3246611 | 0.0000000 | 131.5962613 | ||||||
| cm-1 | 10066.0 | 8689.8 | 1376.2 | ||||||||
| eV | -3572.082 | 1.248 | -3570.834 | -3580.916 | 1.077 | -3579.839 | 8.834 | 0.171 | 9.005 | 0.000 | 3580.916 |