%chk=\\ic.ac.uk\homes\cif110\Year 3 Labs\Computational\BH3 Optimisation2.chk # opt b3lyp/gen geom=connectivity gfinput pseudo=read BBr3 Optimisation2 0 1 B 0.00000000 -0.00000000 -0.00014348 Br 0.00000000 1.74947365 -1.00996622 Br 0.00000000 -1.74947365 -1.00996622 Br -0.00000000 -0.00000000 2.01985652 1 2 1.0 3 1.0 4 1.0 2 3 4 B 0 6-31G(d,p) **** Br 0 LanL2DZ **** Br 0 LanL2DZ