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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 | -200.9585108 | -201.2835971 | 0.3250862 | 0.0000000 | 201.2835971 | ||||||
| cm-1 | 1829.9 | 1547.1 | 282.8 | ||||||||
| eV | -5468.359 | 0.227 | -5468.132 | -5477.205 | 0.192 | -5477.013 | 8.846 | 0.035 | 8.881 | 0.000 | 5477.205 |