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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 | -152.1820470 | -152.5344970 | 0.3524500 | 0.0000000 | 152.5344970 | ||||||
| cm-1 | 6852.9 | 6956.2 | -103.2 | ||||||||
| eV | -4141.084 | 0.850 | -4140.234 | -4150.675 | 0.862 | -4149.812 | 9.591 | -0.013 | 9.578 | 0.000 | 4150.675 |