File: mol.in

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6    0     # of qmmm atoms, # of link atoms in Region I
CL   -1.591010336   -3.497323620   -4.177329152  119.381953977
C     0.623273531   -3.927769978   -4.243650888   88.802327810
H     0.627631085   -3.831528682   -5.334074435   77.449540155
H     0.737788528   -3.010768158   -3.634868517   83.899739734
H     0.444587282   -4.863821218   -3.677635261   90.477795343
CL    2.837655032   -4.254371189   -4.197078072  120.024810232