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Abstract
Abstract Semiempirical NDDO calculations using experimental molecular geometries have been performed for all staggered and eclipsed forms of ethane and all the fluoroethanes. The NDDO method produces correct results for the stabilities of molecules with only one staggered and one eclipsed form. For fluoroethanes with two staggered and two eclipsed forms the gauche form is favoured by the calculation, producing incorrect results in two cases. Total-energy partitioning was used to interpret conformer stabilities. The experimentally established trends concerning the dependence of given bond lengths on changes in groups within the fluoroethanes are correlated with partitioned energy terms.
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