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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 | -75.2408880 | -75.7122563 | 0.4713683 | 0.0000000 | 75.7122563 | ||||||
| cm-1 | 1451.9 | 1754.8 | -302.9 | ||||||||
| eV | -2047.409 | 0.180 | -2047.229 | -2060.235 | 0.218 | -2060.018 | 12.827 | -0.038 | 12.789 | 0.000 | 2060.235 |