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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 | -0.6083927 | -1.1681574 | 0.5597646 | 0.0000000 | 1.1681574 | ||||||
| cm-1 | 1011.8 | 2118.0 | -1106.2 | ||||||||
| eV | -16.555 | 0.125 | -16.430 | -31.787 | 0.263 | -31.525 | 15.232 | -0.137 | 15.095 | 0.000 | 31.787 |