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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 | -69.0182887 | -69.3437334 | 0.3254448 | 0.0000000 | 69.3437334 | ||||||
| cm-1 | 463.0 | 453.9 | 9.1 | ||||||||
| eV | -1878.083 | 0.057 | -1878.026 | -1886.939 | 0.056 | -1886.883 | 8.856 | 0.001 | 8.857 | 0.000 | 1886.939 |