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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 | -540.7444817 | -541.0649047 | 0.3204230 | 0.0000000 | 541.0649047 | ||||||
| cm-1 | 1179.9 | 997.3 | 182.6 | ||||||||
| eV | -14714.406 | 0.146 | -14714.259 | -14723.125 | 0.124 | -14723.001 | 8.719 | 0.023 | 8.742 | 0.000 | 14723.125 |