$system mem=256 disk=-2048 $end
$control
 task=optimize
 theory=DFT_n4
 basis=b2u.in
$end
$dft func=LPBEVV $end
$grid acc=1e-9 $end
$scf conv=1e-7 $end
$optimize sym=1 tol=1e-5,1e-4 $end

$molecule
 sym=1,0.01
 unit=b
 cartesian
 set=L1a
   6     0.00000000   0.00000000  -2.05041816
   6     2.26696121   0.00000000  -3.36310474
   6     2.26881277   0.00000000  -5.98329034
   6     0.00000000   0.00000000  -7.29399227
   6    -2.26881277   0.00000000  -5.98329034
   6    -2.26696121   0.00000000  -3.36310474
   1     0.00000000   0.00000000   0.00146855
   1     4.04460972   0.00000000  -2.33045602
   1     4.04858611   0.00000000  -7.01166941
   1     0.00000000   0.00000000  -9.34935731
   1    -4.04858611   0.00000000  -7.01166941
   1    -4.04460972   0.00000000  -2.33045602
   6    -2.62013354   0.00000000   4.67595412
   6    -1.31014406  -2.26953537   4.67484247
   6     1.31014406  -2.26953537   4.67484247
   6     2.62013354  -0.00000000   4.67595412
   6     1.31014406   2.26953537   4.67484247
   6    -1.31014406   2.26953537   4.67484247
   1    -4.67544490   0.00000000   4.67427942
   1    -2.33720534  -4.04946602   4.66737582
   1     2.33720534  -4.04946602   4.66737582
   1     4.67544490  -0.00000000   4.67427942
   1     2.33720534   4.04946602   4.66737582
   1    -2.33720534   4.04946602   4.66737582
$end
 Energy =   -464.2097220304
 symmetry: C2v
  dipole =   0.210447 au (  0.534908 D)
