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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 | -338.9810012 | -339.2713263 | 0.2903251 | 0.0000000 | 339.2713263 | ||||||
| cm-1 | 5087.0 | 5573.8 | -486.8 | ||||||||
| eV | -9224.142 | 0.631 | -9223.511 | -9232.042 | 0.691 | -9231.351 | 7.900 | -0.060 | 7.840 | 0.000 | 9232.042 |