Resp charges for organic molecule

 &cntrl

 nmol = 3,
 ihfree = 1,
 ioutopt = 1,
 qwt = 0.0100,
 iqopt = 2,

 &end
    0.60
Resp charges for organic molecule
    1   80
    7  -99
    1  -99
    1  -99
    1  -99
    6  -99
    1  -99
    6  -99
    1  -99
    1  -99
    6  -99
    8  -99
    7  -99
    1  -99
    1  -99
    6  -99
    8  -99
    7  -99
    1  -99
    6  -99
    1  -99
    6  -99
    1  -99
    1  -99
    6  -99
    8  -99
    7  -99
    1  -99
    1  -99
    6  -99
    8  -99
    7  -99
    1  -99
    6  -99
    1  -99
    6  -99
    1  -99
    1  -99
    6  -99
    8  -99
    7  -99
    1  -99
    1  -99
    6  -99
    8  -99
    1  -99
    8  -99
    6  -99
    1  -99
    6  -99
    1  -99
    8  -99
    1  -99
    6  -99
    1  -99
    8  -99
    1  -99
    6  -99
    1  -99
    8  -99
    1  -99
    6  -99
    1  -99
    8  -99
    6  -99
    1  -99
    1  -99
    8  -99
    7    0
    1    0
    1   69
    6    0
    1  -99
    1  -99
    6    0
    1  -99
    1  -99
    8    0
   15    0
    8    0
    8   79

    0.34
Resp charges for organic molecule
    1   80
    7  -99
    1  -99
    1  -99
    1  -99
    6  -99
    1  -99
    6  -99
    1  -99
    1  -99
    6  -99
    8  -99
    7  -99
    1  -99
    1  -99
    6  -99
    8  -99
    7  -99
    1  -99
    6  -99
    1  -99
    6  -99
    1  -99
    1  -99
    6  -99
    8  -99
    7  -99
    1  -99
    1  -99
    6  -99
    8  -99
    7  -99
    1  -99
    6  -99
    1  -99
    6  -99
    1  -99
    1  -99
    6  -99
    8  -99
    7  -99
    1  -99
    1  -99
    6  -99
    8  -99
    1  -99
    8  -99
    6  -99
    1  -99
    6  -99
    1  -99
    8  -99
    1  -99
    6  -99
    1  -99
    8  -99
    1  -99
    6  -99
    1  -99
    8  -99
    1  -99
    6  -99
    1  -99
    8  -99
    6  -99
    1  -99
    1  -99
    8  -99
    7    0
    1    0
    1   69
    6    0
    1  -99
    1  -99
    6    0
    1  -99
    1  -99
    8    0
   15    0
    8    0
    8   79

    0.06
Resp charges for organic molecule
    1   80
    7  -99
    1  -99
    1  -99
    1  -99
    6  -99
    1  -99
    6  -99
    1  -99
    1  -99
    6  -99
    8  -99
    7  -99
    1  -99
    1  -99
    6  -99
    8  -99
    7  -99
    1  -99
    6  -99
    1  -99
    6  -99
    1  -99
    1  -99
    6  -99
    8  -99
    7  -99
    1  -99
    1  -99
    6  -99
    8  -99
    7  -99
    1  -99
    6  -99
    1  -99
    6  -99
    1  -99
    1  -99
    6  -99
    8  -99
    7  -99
    1  -99
    1  -99
    6  -99
    8  -99
    1  -99
    8  -99
    6  -99
    1  -99
    6  -99
    1  -99
    8  -99
    1  -99
    6  -99
    1  -99
    8  -99
    1  -99
    6  -99
    1  -99
    8  -99
    1  -99
    6  -99
    1  -99
    8  -99
    6  -99
    1  -99
    1  -99
    8  -99
    7    0
    1    0
    1   69
    6    0
    1  -99
    1  -99
    6    0
    1  -99
    1  -99
    8    0
   15    0
    8    0
    8   79

   16   1.000
    1    1    1    2    1    3    1    4    1    5    1    6    1    7    1    8
    1    9    1   10    1   11    1   12    1   13    1   14    1   15    1   16

   14   0.000
    1   17    1   18    1   19    1   20    1   21    1   22    1   23    1   24
    1   25    1   26    1   27    1   28    1   29    1   30
   14   0.000
    1   31    1   32    1   33    1   34    1   35    1   36    1   37    1   38
    1   39    1   40    1   41    1   42    1   43    1   44
    2  -0.194
    1   45    1   46
   21   0.000
    1   47    1   48    1   49    1   50    1   51    1   52    1   53    1   54
    1   55    1   56    1   57    1   58    1   59    1   60    1   61    1   62
    1   63    1   64    1   65    1   66    1   67
   13   0.194
    1   68    1   69    1   70    1   71    1   72    1   73    1   74    1   75
    1   76    1   77    1   78    1   79    1   80

    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
    1   11    2   11
    2
    1   12    2   12
    2
    1   13    2   13
    2
    1   14    2   14
    2
    1   15    2   15
    2
    1   16    2   16
    2
    1   17    2   17
    2
    1   18    2   18
    2
    1   19    2   19
    2
    1   20    2   20
    2
    1   21    2   21
    2
    1   22    2   22
    2
    1   23    2   23
    2
    1   24    2   24
    2
    1   25    2   25
    2
    1   26    2   26
    2
    1   27    2   27
    2
    1   28    2   28
    2
    1   29    2   29
    2
    1   30    2   30
    2
    1   31    2   31
    2
    1   32    2   32
    2
    1   33    2   33
    2
    1   34    2   34
    2
    1   35    2   35
    2
    1   36    2   36
    2
    1   37    2   37
    2
    1   38    2   38
    2
    1   39    2   39
    2
    1   40    2   40
    2
    1   41    2   41
    2
    1   42    2   42
    2
    1   43    2   43
    2
    1   44    2   44
    2
    1   45    2   45
    2
    1   46    2   46
    2
    1   47    2   47
    2
    1   48    2   48
    2
    1   49    2   49
    2
    1   50    2   50
    2
    1   51    2   51
    2
    1   52    2   52
    2
    1   53    2   53
    2
    1   54    2   54
    2
    1   55    2   55
    2
    1   56    2   56
    2
    1   57    2   57
    2
    1   58    2   58
    2
    1   59    2   59
    2
    1   60    2   60
    2
    1   61    2   61
    2
    1   62    2   62
    2
    1   63    2   63
    2
    1   64    2   64
    2
    1   65    2   65
    2
    1   66    2   66
    2
    1   67    2   67
    2
    1   68    2   68
    2
    1   69    2   69
    2
    1   70    2   70
    2
    1   71    2   71
    2
    1   72    2   72
    2
    1   73    2   73
    2
    1   74    2   74
    2
    1   75    2   75
    2
    1   76    2   76
    2
    1   77    2   77
    2
    1   78    2   78
    2
    1   79    2   79
    2
    1   80    2   80
    2
    1    1    3    1
    2
    1    2    3    2
    2
    1    3    3    3
    2
    1    4    3    4
    2
    1    5    3    5
    2
    1    6    3    6
    2
    1    7    3    7
    2
    1    8    3    8
    2
    1    9    3    9
    2
    1   10    3   10
    2
    1   11    3   11
    2
    1   12    3   12
    2
    1   13    3   13
    2
    1   14    3   14
    2
    1   15    3   15
    2
    1   16    3   16
    2
    1   17    3   17
    2
    1   18    3   18
    2
    1   19    3   19
    2
    1   20    3   20
    2
    1   21    3   21
    2
    1   22    3   22
    2
    1   23    3   23
    2
    1   24    3   24
    2
    1   25    3   25
    2
    1   26    3   26
    2
    1   27    3   27
    2
    1   28    3   28
    2
    1   29    3   29
    2
    1   30    3   30
    2
    1   31    3   31
    2
    1   32    3   32
    2
    1   33    3   33
    2
    1   34    3   34
    2
    1   35    3   35
    2
    1   36    3   36
    2
    1   37    3   37
    2
    1   38    3   38
    2
    1   39    3   39
    2
    1   40    3   40
    2
    1   41    3   41
    2
    1   42    3   42
    2
    1   43    3   43
    2
    1   44    3   44
    2
    1   45    3   45
    2
    1   46    3   46
    2
    1   47    3   47
    2
    1   48    3   48
    2
    1   49    3   49
    2
    1   50    3   50
    2
    1   51    3   51
    2
    1   52    3   52
    2
    1   53    3   53
    2
    1   54    3   54
    2
    1   55    3   55
    2
    1   56    3   56
    2
    1   57    3   57
    2
    1   58    3   58
    2
    1   59    3   59
    2
    1   60    3   60
    2
    1   61    3   61
    2
    1   62    3   62
    2
    1   63    3   63
    2
    1   64    3   64
    2
    1   65    3   65
    2
    1   66    3   66
    2
    1   67    3   67
    2
    1   68    3   68
    2
    1   69    3   69
    2
    1   70    3   70
    2
    1   71    3   71
    2
    1   72    3   72
    2
    1   73    3   73
    2
    1   74    3   74
    2
    1   75    3   75
    2
    1   76    3   76
    2
    1   77    3   77
    2
    1   78    3   78
    2
    1   79    3   79
    2
    1   80    3   80

