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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 | -388.0960874 | -388.3597727 | 0.2636853 | -388.0920764 | 0.2676964 | ||||||
| cm-1 | 469.2 | 393.5 | 75.7 | ||||||||
| eV | -10560.632 | 0.058 | -10560.573 | -10567.807 | 0.049 | -10567.758 | 7.175 | 0.009 | 7.185 | -10560.522 | 7.284 |