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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 | -436.5357894 | -436.8169383 | 0.2811488 | 0.0000000 | 436.8169383 | ||||||
| cm-1 | 3091.7 | 2478.8 | 612.9 | ||||||||
| eV | -11878.743 | 0.383 | -11878.360 | -11886.393 | 0.307 | -11886.086 | 7.650 | 0.076 | 7.726 | 0.000 | 11886.393 |