&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT ethanol_sc
  RUN_TYPE energy
&END GLOBAL

&FORCE_EVAL
  METHOD FIST
  &MM
    &FORCEFIELD
      # parameters are complete rubbish, this is just a test
      &CHARGE
        ATOM H
        CHARGE 0.15
      &END CHARGE
      &CHARGE
        ATOM C
        CHARGE 0.0  #0.00757575757575757575
      &END CHARGE
      &CHARGE
        ATOM N
        CHARGE -0.3
      &END CHARGE
      &CHARGE
        ATOM O
        CHARGE -0.5
      &END CHARGE
      &DIPOLE
        APOL 0.26
        ATOM H
      &END DIPOLE
      &DIPOLE
        APOL 0.26
        ATOM C
      &END DIPOLE
      &DIPOLE
        APOL 0.10
        ATOM N
      &END DIPOLE
      &DIPOLE
        APOL 0.22
        ATOM O
      &END DIPOLE
      &NONBONDED
        &LENNARD-JONES
          ATOMS H H
          EPSILON 0.0
          SIGMA 1.0
        &END LENNARD-JONES
        &LENNARD-JONES
          ATOMS H C
          EPSILON 0.0
          SIGMA 1.0
        &END LENNARD-JONES
        &LENNARD-JONES
          ATOMS H N
          EPSILON 0.0
          SIGMA 1.0
        &END LENNARD-JONES
        &LENNARD-JONES
          ATOMS H O
          EPSILON 0.0
          SIGMA 1.0
        &END LENNARD-JONES
        &LENNARD-JONES
          ATOMS C C
          EPSILON 0.0
          SIGMA 1.0
        &END LENNARD-JONES
        &LENNARD-JONES
          ATOMS C N
          EPSILON 0.0
          SIGMA 1.0
        &END LENNARD-JONES
        &LENNARD-JONES
          ATOMS C O
          EPSILON 0.0
          SIGMA 1.0
        &END LENNARD-JONES
        &LENNARD-JONES
          ATOMS N N
          EPSILON 0.0
          SIGMA 1.0
        &END LENNARD-JONES
        &LENNARD-JONES
          ATOMS N O
          EPSILON 0.0
          SIGMA 1.0
        &END LENNARD-JONES
        &LENNARD-JONES
          ATOMS O O
          EPSILON 0.0
          SIGMA 1.0
        &END LENNARD-JONES
      &END NONBONDED
      &SPLINE
        EMAX_SPLINE 1.0
        RCUT_NB 80.00
      &END SPLINE
    &END FORCEFIELD
    &POISSON
      PERIODIC NONE
      POISSON_SOLVER ANALYTIC
      &EWALD
        ALPHA 0.3
        EWALD_TYPE EWALD
        GMAX 25
        O_SPLINE 6
        &MULTIPOLES T
          EPS_POL 1.0e-6
          MAX_IPOL_ITER 100
          MAX_MULTIPOLE_EXPANSION DIPOLE
          POL_SCF SELF_CONSISTENT
        &END MULTIPOLES
      &END EWALD
    &END POISSON
  &END MM
  &SUBSYS
    &CELL
      ABC 40.0 40.0 40.0
      PERIODIC NONE
    &END CELL
    &COORD
      H     -2.134027     0.421639    -0.021685
      O      1.104337    -0.329925    -0.000382
      C     -1.260295    -0.241283     0.000244
      C      0.021182     0.572065    -0.000169
      H      1.893041     0.194734     0.005734
      H     -1.323976    -0.904457    -0.872387
      H      0.072154     1.227787    -0.891747
      H     -1.343152    -0.872863     0.894426
      H      0.071795     1.228552     0.890830
    &END COORD
  &END SUBSYS
&END FORCE_EVAL
