RESP-A1 project. RESP input generated by R.E.D. &cntrl ioutopt=1, iqopt=1, nmol=2, ihfree=1, irstrnt=1, qwt= 0.0005 &end 1.0 1,4-Dioxane 0 14 Column not used by RESP (Added by R.E.D. for information) 8 0 1 6 0 2 1 0 3 1 0 4 6 0 5 1 0 6 1 0 7 8 1 8 6 0 9 1 0 10 1 0 11 6 0 12 1 0 13 1 0 14 1.0 1,4-Dioxane 0 14 8 0 1 6 0 2 1 0 3 1 0 4 6 0 5 1 0 6 1 0 7 8 1 8 6 0 9 1 0 10 1 0 11 6 0 12 1 0 13 1 0 14 Inter-'molecular' charge equivalencing (i.e. for orientations, conformations or different molecules) 2 1 1 2 1 2 1 2 2 2 2 1 3 2 3 2 1 4 2 4 2 1 5 2 5 2 1 6 2 6 2 1 7 2 7 2 1 9 2 9 2 1 10 2 10 2 1 11 2 11 2 1 12 2 12 2 1 13 2 13 2 1 14 2 14