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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 | -40.8327572 | -41.2680913 | 0.4353342 | 0.0000000 | 41.2680913 | ||||||
| cm-1 | 1526.2 | 1553.9 | -27.7 | ||||||||
| eV | -1111.116 | 0.189 | -1110.927 | -1122.962 | 0.193 | -1122.769 | 11.846 | -0.003 | 11.843 | 0.000 | 1122.962 |