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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 | -46.5049814 | -46.9345657 | 0.4295843 | 0.0000000 | 46.9345657 | ||||||
| cm-1 | 1828.3 | 1534.8 | 293.4 | ||||||||
| eV | -1265.465 | 0.227 | -1265.238 | -1277.154 | 0.190 | -1276.964 | 11.690 | 0.036 | 11.726 | 0.000 | 1277.154 |