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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 | -116.7587844 | -116.4171884 | -0.3415960 | 0.0000000 | 116.4171884 | ||||||
| cm-1 | 18449.4 | 17000.5 | 1448.9 | ||||||||
| eV | -3177.168 | 2.287 | -3174.881 | -3167.873 | 2.108 | -3165.765 | -9.295 | 0.180 | -9.116 | 0.000 | 3167.873 |