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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 | -497.2075200 | -497.6301289 | 0.4226089 | 0.0000000 | 497.6301289 | ||||||
| cm-1 | 7758.9 | 8069.6 | -310.8 | ||||||||
| eV | -13529.705 | 0.962 | -13528.743 | -13541.204 | 1.001 | -13540.204 | 11.500 | -0.039 | 11.461 | 0.000 | 13541.204 |