#!/bin/sh

$ADFBIN/adf << eor
title accurate HF geometry optimization with large QZ4P basis set
basis
 type QZ4P
 core None
end

adddiffusefit
dependency bas=1e-4
ATOMS
    O         0.000000    0.000000   -0.007124
    H         0.000000    0.751933    0.556531
    H         0.000000   -0.751933    0.556531
END

NumericalQuality Good
xc
 hartreefock
end

geometry
end

end input
eor
rm logfile
mv TAPE21 t21

$ADFBIN/adf << eor
title accurate HF frequency calculation with large QZ4P basis set
restart t21 &
 noscf
 noorb
end
basis
 type QZ4P
 core None
end

adddiffusefit
dependency bas=1e-4
ATOMS
    O         0.000000    0.000000   -0.007124
    H         0.000000    0.751933    0.556531
    H         0.000000   -0.751933    0.556531
END

NumericalQuality Good
xc
 hartreefock
end

geometry
 frequencies symm
end

end input
eor
rm TAPE21 logfile