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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 | -261.2263367 | -261.5632059 | 0.3368692 | 0.0000000 | 261.5632059 | ||||||
| cm-1 | 77.2 | 272.7 | -195.5 | ||||||||
| eV | -7108.330 | 0.010 | -7108.321 | -7117.497 | 0.034 | -7117.463 | 9.167 | -0.024 | 9.142 | 0.000 | 7117.497 |