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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 | -116.6850609 | -116.3396980 | -0.3453629 | 0.0000000 | 116.3396980 | ||||||
| cm-1 | 18530.9 | 17055.4 | 1475.6 | ||||||||
| eV | -3175.162 | 2.298 | -3172.864 | -3165.764 | 2.115 | -3163.650 | -9.398 | 0.183 | -9.215 | 0.000 | 3165.764 |