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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 | -289.5443808 | -289.8405163 | 0.2961356 | 0.0000000 | 289.8405163 | ||||||
| cm-1 | 1042.0 | 970.4 | 71.6 | ||||||||
| eV | -7878.903 | 0.129 | -7878.774 | -7886.962 | 0.120 | -7886.841 | 8.058 | 0.009 | 8.067 | 0.000 | 7886.962 |