LinearTransit run for bimolecular nucleophilic reaction of F^- and CH₃Cl

$ADFBIN/quild << eor
Title LinearTransit for Sn2 reaction of F- + CH3Cl

XC
 GGA OPBE
END

QUILD
  nrlt 11
  cvg_grd 1.0e-4
  CONSTR
    dist 1 6 2.5 1.5
  SUBEND
END

ATOMS
   C             0.000000     0.000000     0.000000
   H            -0.530807     0.919384693     0.112892
   H            -0.530807    -0.919384693     0.112892
   H             1.061614     0.000000     0.112892
   Cl            0.000000     0.000000    -1.724300
   F             0.000000     0.000000     2.500000
END

Geometry
End

BASIS
 type TZ2P
 core NONE
END

INTEGRATION 6.0 6.0

SCF
 converge 1.0e-6 1.0e-6
 diis ok=0.01
 iterations 99
END

Charge -1

EPRINT
 SFO noeig noovl
END

endinput
eor