$system mem=128 disk=-1024,-1 $end $control task=optimize theory=DFT basis=b2un.in $end $optimize tol=1e-5 $end $molecule sym=1,0.01 cartesian set=L2 82 0.00000000 0.00000000 0.00000000 82 1.97036328 1.97036328 -1.97036328 82 -1.97036328 1.97036328 -1.97036328 82 1.97036328 -1.97036328 -1.97036328 82 -1.97036328 -1.97036328 -1.97036328 82 1.97036328 1.97036328 1.97036328 82 -1.97036328 1.97036328 1.97036328 82 1.97036328 -1.97036328 1.97036328 82 -1.97036328 -1.97036328 1.97036328 82 3.55657048 0.00000000 0.00000000 82 -3.55657048 0.00000000 0.00000000 82 0.00000000 3.55657048 0.00000000 82 0.00000000 -3.55657048 0.00000000 82 0.00000000 0.00000000 -3.55657048 82 0.00000000 0.00000000 3.55657048 1 5.41582044 0.00000000 0.00000000 1 -5.41582044 0.00000000 0.00000000 1 0.00000000 5.41582044 0.00000000 1 0.00000000 -5.41582044 0.00000000 1 0.00000000 0.00000000 -5.41582044 1 0.00000000 0.00000000 5.41582044 $end Energy = -324967.7701524055