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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 | -176.0882392 | -176.4821543 | 0.3939151 | 0.0000000 | 176.4821543 | ||||||
| cm-1 | 4178.8 | 4303.6 | -124.7 | ||||||||
| eV | -4791.605 | 0.518 | -4791.087 | -4802.324 | 0.534 | -4801.790 | 10.719 | -0.015 | 10.704 | 0.000 | 4802.324 |