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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 | -163.5904740 | -164.0012528 | 0.4107788 | 0.0000000 | 164.0012528 | ||||||
| cm-1 | 1599.3 | 2027.7 | -428.4 | ||||||||
| eV | -4451.523 | 0.198 | -4451.325 | -4462.701 | 0.251 | -4462.450 | 11.178 | -0.053 | 11.125 | 0.000 | 4462.701 |