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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 | -287.6966267 | -287.9714231 | 0.2747965 | 0.0000000 | 287.9714231 | ||||||
| cm-1 | 1077.1 | 996.1 | 81.0 | ||||||||
| eV | -7828.623 | 0.134 | -7828.490 | -7836.101 | 0.124 | -7835.977 | 7.478 | 0.010 | 7.488 | 0.000 | 7836.101 |