#! /bin/sh

$ADFBIN/adf << eor
TITLE methane-dimer non-relativistic

debug dispersion

ATOMS
C  -0.000959    0.000775    1.853082
H  -0.747186    0.712608    1.489389
H   0.987865    0.294742    1.490258
H  -0.241511   -0.998876    1.480724
H  -0.002970   -0.005330    2.946903
C   0.000962   -0.000776   -1.853082
H   0.004264    0.004684   -2.946903
H  -0.989749   -0.289559   -1.491241
H   0.743184   -0.716138   -1.488107
H   0.246099    0.997870   -1.481022
End

Basis
 Type TZP
End

NumericalQuality good

XC
 GGA Becke LYP
 Dispersion DDsC
End

Geometry
End

eprint
geostep Energy GradientTerms Gradients Upd
end

symmetry nosym

End input
eor


mv TAPE21 Methane2_nonrel.t21
rm logfile