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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 | -748.4404597 | -748.7025358 | 0.2620761 | 0.0000000 | 748.7025358 | ||||||
| cm-1 | 327.6 | 258.5 | 69.1 | ||||||||
| eV | -20366.101 | 0.041 | -20366.060 | -20373.232 | 0.032 | -20373.200 | 7.131 | 0.009 | 7.140 | 0.000 | 20373.232 |