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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 | -56.1143872 | -56.4775593 | 0.3631720 | 0.0000000 | 56.4775593 | ||||||
| cm-1 | 6851.9 | 7257.9 | -406.0 | ||||||||
| eV | -1526.950 | 0.850 | -1526.101 | -1536.833 | 0.900 | -1535.933 | 9.882 | -0.050 | 9.832 | 0.000 | 1536.833 |