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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 | -118.0540074 | -117.7509175 | -0.3030899 | 0.0000000 | 117.7509175 | ||||||
| cm-1 | 18594.3 | 16803.9 | 1790.5 | ||||||||
| eV | -3212.413 | 2.305 | -3210.108 | -3204.165 | 2.083 | -3202.082 | -8.247 | 0.222 | -8.026 | 0.000 | 3204.165 |