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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 | -416.7120059 | -417.0876168 | 0.3756109 | 0.0000000 | 417.0876168 | ||||||
| cm-1 | 1861.2 | 2144.7 | -283.6 | ||||||||
| eV | -11339.310 | 0.231 | -11339.080 | -11349.531 | 0.266 | -11349.265 | 10.221 | -0.035 | 10.186 | 0.000 | 11349.531 |