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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 | -343.3155045 | -343.5251559 | 0.2096513 | 0.0000000 | 343.5251559 | ||||||
| cm-1 | 7375.7 | 6288.5 | 1087.2 | ||||||||
| eV | -9342.090 | 0.914 | -9341.176 | -9347.795 | 0.780 | -9347.015 | 5.705 | 0.135 | 5.840 | 0.000 | 9347.795 |