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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 | -1188.2616389 | -1188.6330504 | 0.3714115 | 0.0000000 | 1188.6330504 | ||||||
| cm-1 | 691.9 | 608.8 | 83.1 | ||||||||
| eV | -32334.244 | 0.086 | -32334.158 | -32344.350 | 0.075 | -32344.275 | 10.107 | 0.010 | 10.117 | 0.000 | 32344.350 |