 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






