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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 | -113.7667801 | -114.1142010 | 0.3474208 | 0.0000000 | 114.1142010 | ||||||
| cm-1 | 595.6 | 525.5 | 70.1 | ||||||||
| eV | -3095.752 | 0.074 | -3095.678 | -3105.205 | 0.065 | -3105.140 | 9.454 | 0.009 | 9.462 | 0.000 | 3105.205 |