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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 | -473.4600180 | -473.8094480 | 0.3494300 | 0.0000000 | 473.8094480 | ||||||
| cm-1 | 2738.8 | 2893.4 | -154.6 | ||||||||
| eV | -12883.502 | 0.340 | -12883.163 | -12893.011 | 0.359 | -12892.652 | 9.508 | -0.019 | 9.489 | 0.000 | 12893.011 |