ESP-A1 project. RESP input generated by R.E.D. &cntrl ioutopt=1, iqopt=1, nmol=28, ihfree=1, irstrnt=1, qwt= 0.0000 &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 0 5 8 0 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 0 5 8 0 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 0 8 1 0 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 0 8 1 0 9 1.0 Trifluoroethanol 0 9 Column not used by RESP (Added by R.E.D. for information) 6 0 1 9 0 2 9 2 3 9 2 4 6 0 5 1 0 6 1 6 7 8 0 8 1 0 9 1.0 Trifluoroethanol 0 9 6 0 1 9 0 2 9 2 3 9 2 4 6 0 5 1 0 6 1 6 7 8 0 8 1 0 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 0 5 1 0 6 1.0 Methanol 0 6 1 0 1 6 0 2 1 1 3 1 1 4 8 0 5 1 0 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 0 5 8 0 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 0 5 8 0 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 0 5 8 0 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 0 5 8 0 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 0 5 8 0 6 8 0 7 1 0 8 1.0 Acetic-acid 0 8 6 0 1 1 0 2 1 2 3 1 2 4 6 0 5 8 0 6 8 0 7 1 0 8 1.0 Acetic-acid 0 8 6 0 1 1 0 2 1 2 3 1 2 4 6 0 5 8 0 6 8 0 7 1 0 8 1.0 Acetic-acid 0 8 6 0 1 1 0 2 1 2 3 1 2 4 6 0 5 8 0 6 8 0 7 1 0 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 0 5 7 0 6 1.0 Acetonitrile 0 6 6 0 1 1 0 2 1 2 3 1 2 4 6 0 5 7 0 6 1.0 Benzene 0 12 Column not used by RESP (Added by R.E.D. for information) 6 0 1 1 0 2 6 1 3 1 2 4 6 1 5 1 2 6 6 1 7 1 2 8 6 1 9 1 2 10 6 1 11 1 2 12 1.0 Benzene 0 12 6 0 1 1 0 2 6 1 3 1 2 4 6 1 5 1 2 6 6 1 7 1 2 8 6 1 9 1 2 10 6 1 11 1 2 12 1.0 Benzene 0 12 6 0 1 1 0 2 6 1 3 1 2 4 6 1 5 1 2 6 6 1 7 1 2 8 6 1 9 1 2 10 6 1 11 1 2 12 1.0 Benzene 0 12 6 0 1 1 0 2 6 1 3 1 2 4 6 1 5 1 2 6 6 1 7 1 2 8 6 1 9 1 2 10 6 1 11 1 2 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 0 5 6 0 6 1 0 7 6 0 8 1 0 9 6 0 10 1 0 11 6 8 12 1 9 13 6 6 14 1 7 15 1.0 Toluene 0 15 6 0 1 1 0 2 1 2 3 1 2 4 6 0 5 6 0 6 1 0 7 6 0 8 1 0 9 6 0 10 1 0 11 6 8 12 1 9 13 6 6 14 1 7 15 1.0 Toluene 0 15 6 0 1 1 0 2 1 2 3 1 2 4 6 0 5 6 0 6 1 0 7 6 0 8 1 0 9 6 0 10 1 0 11 6 8 12 1 9 13 6 6 14 1 7 15 1.0 Toluene 0 15 6 0 1 1 0 2 1 2 3 1 2 4 6 0 5 6 0 6 1 0 7 6 0 8 1 0 9 6 0 10 1 0 11 6 8 12 1 9 13 6 6 14 1 7 15 1.0 Chloroform 0 5 Column not used by RESP (Added by R.E.D. for information) 6 0 1 1 0 2 17 0 3 17 3 4 17 3 5 1.0 Chloroform 0 5 6 0 1 1 0 2 17 0 3 17 3 4 17 3 5 Inter-'molecular' charge equivalencing (i.e. for different orientations or conformations) 2 1 1 2 1 2 1 2 2 2 2 1 5 2 5 2 1 6 2 6 2 3 1 4 1 2 3 2 4 2 2 3 5 4 5 2 3 6 4 6 2 3 8 4 8 2 3 9 4 9 2 5 1 6 1 2 5 2 6 2 2 5 5 6 5 2 5 6 6 6 2 5 8 6 8 2 5 9 6 9 2 7 1 8 1 2 7 2 8 2 2 7 5 8 5 2 7 6 8 6 4 9 1 10 1 11 1 12 1 4 9 2 10 2 11 2 12 2 4 9 5 10 5 11 5 12 5 4 9 6 10 6 11 6 12 6 4 13 1 14 1 15 1 16 1 4 13 2 14 2 15 2 16 2 4 13 5 14 5 15 5 16 5 4 13 6 14 6 15 6 16 6 4 13 7 14 7 15 7 16 7 4 13 8 14 8 15 8 16 8 2 17 1 18 1 2 17 2 18 2 2 17 5 18 5 2 17 6 18 6 4 19 1 20 1 21 1 22 1 4 19 2 20 2 21 2 22 2 4 23 1 24 1 25 1 26 1 4 23 2 24 2 25 2 26 2 4 23 5 24 5 25 5 26 5 4 23 6 24 6 25 6 26 6 4 23 7 24 7 25 7 26 7 4 23 8 24 8 25 8 26 8 4 23 9 24 9 25 9 26 9 4 23 10 24 10 25 10 26 10 4 23 11 24 11 25 11 26 11 2 27 1 28 1 2 27 2 28 2 2 27 3 28 3