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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 | -2401.4372305 | -2401.7944635 | 0.3572330 | 0.0000000 | 2401.7944635 | ||||||
| cm-1 | 1108.7 | 1161.4 | -52.7 | ||||||||
| eV | -65346.430 | 0.137 | -65346.293 | -65356.151 | 0.144 | -65356.007 | 9.721 | -0.007 | 9.714 | 0.000 | 65356.151 |