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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 | -289.7018711 | -289.9895756 | 0.2877045 | 0.0000000 | 289.9895756 | ||||||
| cm-1 | 1037.4 | 974.9 | 62.5 | ||||||||
| eV | -7883.189 | 0.129 | -7883.060 | -7891.018 | 0.121 | -7890.897 | 7.829 | 0.008 | 7.837 | 0.000 | 7891.018 |