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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 | -48.9125422 | -49.3790855 | 0.4665434 | 0.0000000 | 49.3790855 | ||||||
| cm-1 | 763.1 | 475.5 | 287.6 | ||||||||
| eV | -1330.978 | 0.095 | -1330.883 | -1343.673 | 0.059 | -1343.614 | 12.695 | 0.036 | 12.731 | 0.000 | 1343.673 |