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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 | -77.9535855 | -78.3344161 | 0.3808306 | 0.0000000 | 78.3344161 | ||||||
| cm-1 | 10540.6 | 10905.8 | -365.2 | ||||||||
| eV | -2121.225 | 1.307 | -2119.918 | -2131.588 | 1.352 | -2130.236 | 10.363 | -0.045 | 10.318 | 0.000 | 2131.588 |