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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 | -38.0646135 | -38.4639082 | 0.3992947 | 0.0000000 | 38.4639082 | ||||||
| cm-1 | 1363.5 | 1345.7 | 17.8 | ||||||||
| eV | -1035.791 | 0.169 | -1035.622 | -1046.656 | 0.167 | -1046.489 | 10.865 | 0.002 | 10.868 | 0.000 | 1046.656 |