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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 | -416.5336107 | -416.9059753 | 0.3723645 | 0.0000000 | 416.9059753 | ||||||
| cm-1 | 1808.5 | 2102.1 | -293.5 | ||||||||
| eV | -11334.456 | 0.224 | -11334.232 | -11344.589 | 0.261 | -11344.328 | 10.133 | -0.036 | 10.096 | 0.000 | 11344.589 |