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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 | -118.0755683 | -117.7767681 | -0.2988002 | 0.0000000 | 117.7767681 | ||||||
| cm-1 | 18499.8 | 16750.3 | 1749.6 | ||||||||
| eV | -3213.000 | 2.294 | -3210.706 | -3204.869 | 2.077 | -3202.792 | -8.131 | 0.217 | -7.914 | 0.000 | 3204.869 |