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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 | -105.5326005 | -105.8989560 | 0.3663555 | 0.0000000 | 105.8989560 | ||||||
| cm-1 | 416.7 | 342.3 | 74.4 | ||||||||
| eV | -2871.688 | 0.052 | -2871.636 | -2881.657 | 0.042 | -2881.615 | 9.969 | 0.009 | 9.978 | 0.000 | 2881.657 |