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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 | -2398.5469172 | -2398.8903130 | 0.3433958 | 0.0000000 | 2398.8903130 | ||||||
| cm-1 | 2759.3 | 2821.2 | -61.9 | ||||||||
| eV | -65267.781 | 0.342 | -65267.439 | -65277.125 | 0.350 | -65276.775 | 9.344 | -0.008 | 9.337 | 0.000 | 65277.125 |