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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 | -2078.1279197 | -2078.4217668 | 0.2938471 | 0.0000000 | 2078.4217668 | ||||||
| cm-1 | 4372.2 | 4178.3 | 193.9 | ||||||||
| eV | -56548.737 | 0.542 | -56548.194 | -56556.733 | 0.518 | -56556.214 | 7.996 | 0.024 | 8.020 | 0.000 | 56556.733 |