RESP-A1 project. RESP input generated by R.E.D. &cntrl ioutopt=1, iqopt=2, nmol=26, ihfree=1, irstrnt=1, qwt=0.001 &end 1.0 Dimethylsulfoxide 0 10 Column not used by RESP (Added by R.E.D. for information) 6 0 1 1 0 2 1 2 3 1 2 4 16 -1 5 8 -1 6 6 1 7 1 2 8 1 2 9 1 2 10 1.0 Dimethylsulfoxide 0 10 6 0 1 1 0 2 1 2 3 1 2 4 16 -1 5 8 -1 6 6 1 7 1 2 8 1 2 9 1 2 10 1.0 Ethanol 0 9 Column not used by RESP (Added by R.E.D. for information) 6 0 1 1 0 2 1 2 3 1 2 4 6 0 5 1 0 6 1 6 7 8 -1 8 1 -1 9 1.0 Ethanol 0 9 6 0 1 1 0 2 1 2 3 1 2 4 6 0 5 1 0 6 1 6 7 8 -1 8 1 -1 9 1.0 Trifluoroethanol 0 9 Column not used by RESP (Added by R.E.D. for information) 6 -1 1 9 -1 2 9 -1 3 9 -1 4 6 0 5 1 0 6 1 6 7 8 -1 8 1 -1 9 1.0 Trifluoroethanol 0 9 6 -1 1 9 -1 2 9 -1 3 9 -1 4 6 0 5 1 0 6 1 6 7 8 -1 8 1 -1 9 1.0 Methanol 0 6 Column not used by RESP (Added by R.E.D. for information) 1 0 1 6 0 2 1 1 3 1 1 4 8 -1 5 1 -1 6 1.0 Methanol 0 6 1 0 1 6 0 2 1 1 3 1 1 4 8 -1 5 1 -1 6 1.0 Acetone 0 10 Column not used by RESP (Added by R.E.D. for information) 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 6 1 7 1 2 8 1 2 9 1 2 10 1.0 Acetone 0 10 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 6 1 7 1 2 8 1 2 9 1 2 10 1.0 Acetone 0 10 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 6 1 7 1 2 8 1 2 9 1 2 10 1.0 Acetone 0 10 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 6 1 7 1 2 8 1 2 9 1 2 10 1.0 Acetic-acid 0 8 Column not used by RESP (Added by R.E.D. for information) 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 8 -1 7 1 -1 8 1.0 Acetic-acid 0 8 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 8 -1 7 1 -1 8 1.0 Acetic-acid 0 8 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 8 -1 7 1 -1 8 1.0 Acetic-acid 0 8 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 8 -1 6 8 -1 7 1 -1 8 1.0 Acetonitrile 0 6 Column not used by RESP (Added by R.E.D. for information) 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 7 -1 6 1.0 Acetonitrile 0 6 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 7 -1 6 1.0 Benzene 0 12 Column not used by RESP (Added by R.E.D. for information) 6 -1 1 1 -1 2 6 -1 3 1 -1 4 6 -1 5 1 -1 6 6 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 1 -1 12 1.0 Benzene 0 12 6 -1 1 1 -1 2 6 -1 3 1 -1 4 6 -1 5 1 -1 6 6 -1 7 1 -1 8 6 -1 9 1 -1 10 6 -1 11 1 -1 12 1.0 Toluene 0 15 Column not used by RESP (Added by R.E.D. for information) 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 6 -1 6 1 -1 7 6 -1 8 1 -1 9 6 -1 10 1 -1 11 6 -1 12 1 -1 13 6 -1 14 1 -1 15 1.0 Toluene 0 15 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 6 -1 6 1 -1 7 6 -1 8 1 -1 9 6 -1 10 1 -1 11 6 -1 12 1 -1 13 6 -1 14 1 -1 15 1.0 Toluene 0 15 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 6 -1 6 1 -1 7 6 -1 8 1 -1 9 6 -1 10 1 -1 11 6 -1 12 1 -1 13 6 -1 14 1 -1 15 1.0 Toluene 0 15 6 0 1 1 0 2 1 2 3 1 2 4 6 -1 5 6 -1 6 1 -1 7 6 -1 8 1 -1 9 6 -1 10 1 -1 11 6 -1 12 1 -1 13 6 -1 14 1 -1 15 1.0 Chloroform 0 5 Column not used by RESP (Added by R.E.D. for information) 6 -1 1 1 -1 2 17 -1 3 17 -1 4 17 -1 5 1.0 Chloroform 0 5 6 -1 1 1 -1 2 17 -1 3 17 -1 4 17 -1 5 Inter-'molecular' charge equivalencing (i. e. for different orientations or conformations) 2 1 1 2 1 2 1 2 2 2 2 3 1 4 1 2 3 2 4 2 2 3 5 4 5 2 3 6 4 6 2 5 5 6 5 2 5 6 6 6 2 7 1 8 1 2 7 2 8 2 4 9 1 10 1 11 1 12 1 4 9 2 10 2 11 2 12 2 4 13 1 14 1 15 1 16 1 4 13 2 14 2 15 2 16 2 2 17 1 18 1 2 17 2 18 2 4 21 1 22 1 23 1 24 1 4 21 2 22 2 23 2 24 2