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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 | -760.8501655 | -761.0037582 | 0.1535928 | 0.0000000 | 761.0037582 | ||||||
| cm-1 | 40.1 | 53.5 | -13.5 | ||||||||
| eV | -20703.786 | 0.005 | -20703.781 | -20707.965 | 0.007 | -20707.959 | 4.179 | -0.002 | 4.178 | 0.000 | 20707.965 |