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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 | -38.6819461 | -39.0549878 | 0.3730417 | 0.0000000 | 39.0549878 | ||||||
| cm-1 | 3511.4 | 3683.3 | -171.9 | ||||||||
| eV | -1052.589 | 0.435 | -1052.154 | -1062.740 | 0.457 | -1062.284 | 10.151 | -0.021 | 10.130 | 0.000 | 1062.740 |