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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 | -77.3368584 | -77.6416059 | 0.3047475 | 0.0000000 | 77.6416059 | ||||||
| cm-1 | 7131.2 | 7796.4 | -665.2 | ||||||||
| eV | -2104.443 | 0.884 | -2103.559 | -2112.736 | 0.967 | -2111.769 | 8.293 | -0.082 | 8.210 | 0.000 | 2112.736 |