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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 | -13.3084362 | -13.6721700 | 0.3637338 | 0.0000000 | 13.6721700 | ||||||
| cm-1 | 10811.6 | 11156.8 | -345.2 | ||||||||
| eV | -362.141 | 1.340 | -360.801 | -372.039 | 1.383 | -370.655 | 9.898 | -0.043 | 9.855 | 0.000 | 372.039 |