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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 | -497.0609250 | -497.4255853 | 0.3646603 | 0.0000000 | 497.4255853 | ||||||
| cm-1 | 492.4 | 408.3 | 84.1 | ||||||||
| eV | -13525.716 | 0.061 | -13525.655 | -13535.639 | 0.051 | -13535.588 | 9.923 | 0.010 | 9.933 | 0.000 | 13535.639 |