Minor fix to make it work with molecules lacking symmetry
Minor fix to make it work with molecules lacking symmetry


ATenderholt/cclib,ATenderholt/cclib,jchodera/cclib,andersx/cclib,cclib/cclib,andersx/cclib,ghutchis/cclib,langner/cclib,berquist/cclib,berquist/cclib,Clyde-fare/cclib,Schamnad/cclib,jchodera/cclib,langner/cclib,gaursagar/cclib,ghutchis/cclib,cclib/cclib,ben-albrecht/cclib,berquist/cclib,Clyde-fare/cclib,Schamnad/cclib,gaursagar/cclib,langner/cclib,cclib/cclib,ben-albrecht/cclib