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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 | -1191.1500243 | -1191.5182156 | 0.3681912 | 0.0000000 | 1191.5182156 | ||||||
| cm-1 | 719.9 | 760.3 | -40.4 | ||||||||
| eV | -32412.841 | 0.089 | -32412.751 | -32422.860 | 0.094 | -32422.765 | 10.019 | -0.005 | 10.014 | 0.000 | 32422.860 |