resp.in1

Resp charges for organic molecule

 &cntrl

 nmol = 7,
 ihfree = 0,
 iqopt = 2,
 qwt = 0.00050,

 &end
    1.0
Resp charges for organic molecule
    0   33
    6   -1
    6   -1
    6   -1
    6   -1
    6   -1
    6   -1
    8   -1
    8    0
    8   -1
    8   -1
    8   -1
    1   -1
    1   -1
    1   -1
    1   -1
    1   -1
    1   -1
    1   -1
    1   -1
    6    0
    1   -1
    6    0
    1   -1
    1   -1
    6    0
    8    0
    1   -1
    1   -1
    1   -1
    1   -1
    1    0
    1   -1
    1   -1

    1.0
Resp charges for organic molecule
    0   33
    6   -1
    6   -1
    6   -1
    6   -1
    6   -1
    6   -1
    8   -1
    8    0
    8   -1
    8   -1
    8   -1
    1   -1
    1   -1
    1   -1
    1   -1
    1   -1
    1   -1
    1   -1
    1   -1
    6    0
    1   -1
    6    0
    1   -1
    1   -1
    6    0
    8    0
    1   -1
    1   -1
    1   -1
    1   -1
    1    0
    1   -1
    1   -1

    1.0
Resp charges for organic molecule
    0   33
    6   -1
    6   -1
    6   -1
    6   -1
    6   -1
    6   -1
    8   -1
    8    0
    8   -1
    8   -1
    8   -1
    1   -1
    1   -1
    1   -1
    1   -1
    1   -1
    1   -1
    1   -1
    1   -1
    6    0
    1   -1
    6    0
    1   -1
    1   -1
    6    0
    8    0
    1   -1
    1   -1
    1   -1
    1   -1
    1    0
    1   -1
    1   -1

    1.0
Resp charges for organic molecule
    0   33
    6   -1
    6   -1
    6   -1
    6   -1
    6   -1
    6   -1
    8   -1
    8    0
    8   -1
    8   -1
    8   -1
    1   -1
    1   -1
    1   -1
    1   -1
    1   -1
    1   -1
    1   -1
    1   -1
    6    0
    1   -1
    6    0
    1   -1
    1   -1
    6    0
    8    0
    1   -1
    1   -1
    1   -1
    1   -1
    1    0
    1   -1
    1   -1

    1.0
Resp charges for organic molecule
    0   33
    6   -1
    6   -1
    6   -1
    6   -1
    6   -1
    6   -1
    8   -1
    8    0
    8   -1
    8   -1
    8   -1
    1   -1
    1   -1
    1   -1
    1   -1
    1   -1
    1   -1
    1   -1
    1   -1
    6    0
    1   -1
    6    0
    1   -1
    1   -1
    6    0
    8    0
    1   -1
    1   -1
    1   -1
    1   -1
    1    0
    1   -1
    1   -1

    1.0
Resp charges for organic molecule
    0   33
    6   -1
    6   -1
    6   -1
    6   -1
    6   -1
    6   -1
    8   -1
    8    0
    8   -1
    8   -1
    8   -1
    1   -1
    1   -1
    1   -1
    1   -1
    1   -1
    1   -1
    1   -1
    1   -1
    6    0
    1   -1
    6    0
    1   -1
    1   -1
    6    0
    8    0
    1   -1
    1   -1
    1   -1
    1   -1
    1    0
    1   -1
    1   -1

    1.0
Resp charges for organic molecule
    0   33
    6   -1
    6   -1
    6   -1
    6   -1
    6   -1
    6   -1
    8   -1
    8    0
    8   -1
    8   -1
    8   -1
    1   -1
    1   -1
    1   -1
    1   -1
    1   -1
    1   -1
    1   -1
    1   -1
    6    0
    1   -1
    6    0
    1   -1
    1   -1
    6    0
    8    0
    1   -1
    1   -1
    1   -1
    1   -1
    1    0
    1   -1
    1   -1


    7
    1    1    2    1    3    1    4    1    5    1    6    1    7    1
    7
    1    2    2    2    3    2    4    2    5    2    6    2    7    2
    7
    1    3    2    3    3    3    4    3    5    3    6    3    7    3
    7
    1    4    2    4    3    4    4    4    5    4    6    4    7    4
    7
    1    5    2    5    3    5    4    5    5    5    6    5    7    5
    7
    1    6    2    6    3    6    4    6    5    6    6    6    7    6
    7
    1    7    2    7    3    7    4    7    5    7    6    7    7    7
    7
    1    8    2    8    3    8    4    8    5    8    6    8    7    8
    7
    1    9    2    9    3    9    4    9    5    9    6    9    7    9
    7
    1   10    2   10    3   10    4   10    5   10    6   10    7   10
    7
    1   11    2   11    3   11    4   11    5   11    6   11    7   11
    7
    1   12    2   12    3   12    4   12    5   12    6   12    7   12
    7
    1   13    2   13    3   13    4   13    5   13    6   13    7   13
    7
    1   14    2   14    3   14    4   14    5   14    6   14    7   14
    7
    1   15    2   15    3   15    4   15    5   15    6   15    7   15
    7
    1   16    2   16    3   16    4   16    5   16    6   16    7   16
    7
    1   17    2   17    3   17    4   17    5   17    6   17    7   17
    7
    1   18    2   18    3   18    4   18    5   18    6   18    7   18
    7
    1   19    2   19    3   19    4   19    5   19    6   19    7   19
    7
    1   20    2   20    3   20    4   20    5   20    6   20    7   20
    7
    1   21    2   21    3   21    4   21    5   21    6   21    7   21
    7
    1   22    2   22    3   22    4   22    5   22    6   22    7   22
    7
    1   23    2   23    3   23    4   23    5   23    6   23    7   23
    7
    1   24    2   24    3   24    4   24    5   24    6   24    7   24
    7
    1   25    2   25    3   25    4   25    5   25    6   25    7   25
    7
    1   26    2   26    3   26    4   26    5   26    6   26    7   26
    7
    1   27    2   27    3   27    4   27    5   27    6   27    7   27
    7
    1   28    2   28    3   28    4   28    5   28    6   28    7   28
    7
    1   29    2   29    3   29    4   29    5   29    6   29    7   29
    7
    1   30    2   30    3   30    4   30    5   30    6   30    7   30
    7
    1   31    2   31    3   31    4   31    5   31    6   31    7   31
    7
    1   32    2   32    3   32    4   32    5   32    6   32    7   32
    7
    1   33    2   33    3   33    4   33    5   33    6   33    7   33