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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 | -237.7629233 | -238.0740056 | 0.3110823 | 0.0000000 | 238.0740056 | ||||||
| cm-1 | 4483.6 | 4072.6 | 411.0 | ||||||||
| eV | -6469.858 | 0.556 | -6469.302 | -6478.323 | 0.505 | -6477.818 | 8.465 | 0.051 | 8.516 | 0.000 | 6478.323 |