#! /bin/sh

# Example of a DRF bond energy calculation.

"$ADFBIN/adf" <<eor
ATOMS
  O       2.698990442000       0.000000000000      -0.000314732000
  H       1.927785302000       0.000000000000      -0.591074192000
  H       3.470195581000       0.000000000000      -0.591074192000
END

SYMMETRY NOSYM

BASIS
  type TZP
  core Large
  createoutput None
END

NOPRINT LOGFILE
DIMQM
  drf
END

DIMPAR
  GROUP mol2
    3
    O      -0.801009558000       0.000000000000      -0.000314732000 pol=5.7494 char=-0.7134114435520156
    H      -1.572214698000      -0.000000000000      -0.591074192000 pol=2.7927 char=0.3567057217727492
    H      -0.029804419000      -0.000000000000      -0.591074192000 pol=2.7927 char=0.3567057217727492
  SUBEND
END
eor