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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 | -467.4902769 | -467.8449447 | 0.3546677 | 0.0000000 | 467.8449447 | ||||||
| cm-1 | 143.7 | 300.5 | -156.8 | ||||||||
| eV | -12721.057 | 0.018 | -12721.040 | -12730.708 | 0.037 | -12730.671 | 9.651 | -0.019 | 9.632 | 0.000 | 12730.708 |