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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 | -113.9971245 | -114.3313203 | 0.3341958 | 0.0000000 | 114.3313203 | ||||||
| cm-1 | 650.7 | 587.5 | 63.2 | ||||||||
| eV | -3102.020 | 0.081 | -3101.939 | -3111.113 | 0.073 | -3111.041 | 9.094 | 0.008 | 9.102 | 0.000 | 3111.113 |