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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 | -2073.5634196 | -2073.8389401 | 0.2755205 | 0.0000000 | 2073.8389401 | ||||||
| cm-1 | 896.0 | 842.7 | 53.3 | ||||||||
| eV | -56424.530 | 0.111 | -56424.419 | -56432.027 | 0.104 | -56431.923 | 7.497 | 0.007 | 7.504 | 0.000 | 56432.027 |