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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 | -77.3971621 | -77.7028442 | 0.3056821 | 0.0000000 | 77.7028442 | ||||||
| cm-1 | 7250.1 | 7740.3 | -490.2 | ||||||||
| eV | -2106.084 | 0.899 | -2105.185 | -2114.402 | 0.960 | -2113.442 | 8.318 | -0.061 | 8.257 | 0.000 | 2114.402 |