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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 | -2022.0446911 | -2022.4259390 | 0.3812479 | 0.0000000 | 2022.4259390 | ||||||
| cm-1 | 329.6 | 289.4 | 40.3 | ||||||||
| eV | -55022.634 | 0.041 | -55022.593 | -55033.009 | 0.036 | -55032.973 | 10.374 | 0.005 | 10.379 | 0.000 | 55033.009 |