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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 | -2720.9442772 | -2721.2122758 | 0.2679986 | 0.0000000 | 2721.2122758 | ||||||
| cm-1 | 76.0 | 143.3 | -67.3 | ||||||||
| eV | -74040.659 | 0.009 | -74040.650 | -74047.952 | 0.018 | -74047.934 | 7.293 | -0.008 | 7.284 | 0.000 | 74047.952 |