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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 | -2399.8759935 | -2400.2354049 | 0.3594114 | 0.0000000 | 2400.2354049 | ||||||
| cm-1 | 2825.0 | 2905.6 | -80.6 | ||||||||
| eV | -65303.947 | 0.350 | -65303.597 | -65313.727 | 0.360 | -65313.367 | 9.780 | -0.010 | 9.770 | 0.000 | 65313.727 |