#! /bin/sh
for n in H C N
do
$ADFBIN/adf << eor
Create $n file=$ADFRESOURCES/DZP/$n
XC
 LibXC CAM-B3LYP
End
RIHARTREEFOCK
 useme true
End
End Input
eor
mv TAPE21 $n.t21
rm logfile
done


$ADFBIN/adf << eor
Atoms
 N       0.00000000       0.00000000       1.07112000
 C       0.00000000       0.00000000       3.88763000
 C       0.00000000      -1.14432000       1.77593000
 C       0.00000000       1.14432000       1.77593000
 C       0.00000000       1.19947000       3.17299000
 C       0.00000000      -1.19947000       3.17299000
 H       0.00000000      -2.16297000       3.68508000
 H       0.00000000      -2.06734000       1.18970000
 H       0.00000000       0.00000000       4.97897000
 H       0.00000000       2.16297000       3.68508000
 H       0.00000000       2.06734000       1.18970000
End
Fragments
 H H.t21
 C C.t21
 N N.t21
End
excitations
 onlysing
end
XC
 LibXC CAM-B3LYP
End
RIHARTREEFOCK
 useme true
End
End Input
eor