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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 | -197.5137712 | -197.5704268 | 0.0566556 | 0.0000000 | 197.5704268 | ||||||
| cm-1 | 1055.2 | 933.7 | 121.5 | ||||||||
| eV | -5374.623 | 0.131 | -5374.492 | -5376.165 | 0.116 | -5376.049 | 1.542 | 0.015 | 1.557 | 0.000 | 5376.165 |