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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 | -2860.6034380 | -2860.8906195 | 0.2871815 | 0.0000000 | 2860.8906195 | ||||||
| cm-1 | 222.5 | 184.7 | 37.7 | ||||||||
| eV | -77840.978 | 0.028 | -77840.951 | -77848.793 | 0.023 | -77848.770 | 7.815 | 0.005 | 7.819 | 0.000 | 77848.793 |