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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 | -497.2377472 | -497.6596451 | 0.4218979 | 0.0000000 | 497.6596451 | ||||||
| cm-1 | 7680.8 | 8445.4 | -764.6 | ||||||||
| eV | -13530.527 | 0.952 | -13529.575 | -13542.008 | 1.047 | -13540.961 | 11.480 | -0.095 | 11.386 | 0.000 | 13542.008 |