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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 | -151.1432205 | -151.5136407 | 0.3704202 | 0.0000000 | 151.5136407 | ||||||
| cm-1 | 5804.9 | 5689.2 | 115.8 | ||||||||
| eV | -4112.816 | 0.720 | -4112.096 | -4122.896 | 0.705 | -4122.190 | 10.080 | 0.014 | 10.094 | 0.000 | 4122.896 |