#! /bin/sh

$ADFBIN/adf << eor
Title Calculate the optimum structure of a dibenzene molecule and dispersion 

Atoms
C 0.000000 0.000000 1.059035
C 0.000000 -1.206008 1.757674
C 0.000000 -1.207177 3.151591
C 0.000000 0.000000 3.848575
C 0.000000 1.207177 3.151591
C 0.000000 1.206008 1.757674
H 0.000000 0.000000 -0.021580
H 0.000000 -2.141639 1.214422
H 0.000000 -2.143566 3.692995
H 0.000000 0.000000 4.930150
H 0.000000 2.143566 3.692995
H 0.000000 2.141639 1.214422
C -1.394063 0.000000 -2.454152
C -0.697047 1.207238 -2.454628
C 0.697047 1.207238 -2.454628
C 1.394063 0.000000 -2.454152
C 0.697047 -1.207238 -2.454628
C -0.697047 -1.207238 -2.454628
H -2.475399 0.000000 -2.450322
H -1.238232 2.143565 -2.453676
H 1.238232 2.143565 -2.453676
H 2.475399 0.000000 -2.450322
H 1.238232 -2.143565 -2.453676
H -1.238232 -2.143565 -2.453676
end 

Basis
   type TZP
End

XC
  GGA PBE
  dispersion uff
END

End Input
eor

$ADFBIN/densf <<eor
GRID MEDIUM
NCI BOTH
eor