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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 | -259.6266360 | -259.9211016 | 0.2944656 | 0.0000000 | 259.9211016 | ||||||
| cm-1 | 107.7 | 323.6 | -215.9 | ||||||||
| eV | -7064.800 | 0.013 | -7064.787 | -7072.813 | 0.040 | -7072.773 | 8.013 | -0.027 | 7.986 | 0.000 | 7072.813 |