Fluoroethylene Optimization

Our second example takes another member of the vinyl series, and considers the effect of replacing one of the hydrogens in ethylene with a fluorine. The fluoroethylene optimization converges at step 5. By looking at the optimized parameters for each job, we can compare the structures of the two molecules  

For a more extended study, perform an optimization on each of these molecules  

1 -difluoroethylene (C2v symmetry) cis 1,2-difluoroethylene (C2, symmetry) trans 1,2-difluoroethylene (C21, sjuumetry) 

Compare the effects of the successive fluorine substitutions en the various structural features of the molecule. 

Exploring Chemistry with Electronic Structure Methods 

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