 RESP-A1 project. RESP input generated by R.E.D.
 &cntrl
  ioutopt=1, iqopt=1, nmol=26, ihfree=1, irstrnt=1, qwt= 0.0005 
 &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    0                      3
    1    0                      4
   16    0                      5
    8    0                      6
    6    0                      7
    1    0                      8
    1    0                      9
    1    0                     10

  1.0
 Dimethylsulfoxide 
    0   10
    6    0                      1
    1    0                      2
    1    0                      3
    1    0                      4
   16    0                      5
    8    0                      6
    6    0                      7
    1    0                      8
    1    0                      9
    1    0                     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    0                      3
    1    0                      4
    6    0                      5
    1    0                      6
    1    0                      7
    8    0                      8
    1    0                      9

  1.0
 Ethanol 
    0    9
    6    0                      1
    1    0                      2
    1    0                      3
    1    0                      4
    6    0                      5
    1    0                      6
    1    0                      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    0                      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    0                      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    0                      3
    1    0                      4
    8    0                      5
    1    0                      6

  1.0
 Methanol 
    0    6
    1    0                      1
    6    0                      2
    1    0                      3
    1    0                      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    0                      3
    1    0                      4
    6    0                      5
    8    0                      6
    6    0                      7
    1    0                      8
    1    0                      9
    1    0                     10

  1.0
 Acetone 
    0   10
    6    0                      1
    1    0                      2
    1    0                      3
    1    0                      4
    6    0                      5
    8    0                      6
    6    0                      7
    1    0                      8
    1    0                      9
    1    0                     10

  1.0
 Acetone 
    0   10
    6    0                      1
    1    0                      2
    1    0                      3
    1    0                      4
    6    0                      5
    8    0                      6
    6    0                      7
    1    0                      8
    1    0                      9
    1    0                     10

  1.0
 Acetone 
    0   10
    6    0                      1
    1    0                      2
    1    0                      3
    1    0                      4
    6    0                      5
    8    0                      6
    6    0                      7
    1    0                      8
    1    0                      9
    1    0                     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    0                      3
    1    0                      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    0                      3
    1    0                      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    0                      3
    1    0                      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    0                      3
    1    0                      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    0                      3
    1    0                      4
    6    0                      5
    7    0                      6

  1.0
 Acetonitrile 
    0    6
    6    0                      1
    1    0                      2
    1    0                      3
    1    0                      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
 Toluene 
    0   15          Column not used by RESP (Added by R.E.D. for information)
    6    0                      1
    1    0                      2
    1    0                      3
    1    0                      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    0                      3
    1    0                      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    0                      3
    1    0                      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    0                      3
    1    0                      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    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    8    2    8
    2
    1    9    2    9
    2
    1   10    2   10
    2
    3    1    4    1
    2
    3    2    4    2
    2
    3    3    4    3
    2
    3    4    4    4
    2
    3    5    4    5
    2
    3    6    4    6
    2
    3    7    4    7
    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    7    6    7
    2
    5    8    6    8
    2
    5    9    6    9
    2
    7    1    8    1
    2
    7    2    8    2
    2
    7    3    8    3
    2
    7    4    8    4
    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    3   10    3   11    3   12    3
    4
    9    4   10    4   11    4   12    4
    4
    9    5   10    5   11    5   12    5
    4
    9    6   10    6   11    6   12    6
    4
    9    7   10    7   11    7   12    7
    4
    9    8   10    8   11    8   12    8
    4
    9    9   10    9   11    9   12    9
    4
    9   10   10   10   11   10   12   10
    4
   13    1   14    1   15    1   16    1
    4
   13    2   14    2   15    2   16    2
    4
   13    3   14    3   15    3   16    3
    4
   13    4   14    4   15    4   16    4
    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    3   18    3
    2
   17    4   18    4
    2
   17    5   18    5
    2
   17    6   18    6
    2
   19    1   20    1
    2
   19    2   20    2
    4
   21    1   22    1   23    1   24    1
    4
   21    2   22    2   23    2   24    2
    4
   21    3   22    3   23    3   24    3
    4
   21    4   22    4   23    4   24    4
    4
   21    5   22    5   23    5   24    5
    4
   21    6   22    6   23    6   24    6
    4
   21    7   22    7   23    7   24    7
    4
   21    8   22    8   23    8   24    8
    4
   21    9   22    9   23    9   24    9
    4
   21   10   22   10   23   10   24   10
    4
   21   11   22   11   23   11   24   11
    2
   25    1   26    1
    2
   25    2   26    2
    2
   25    3   26    3






