%chk=\\ic.ac.uk\homes\ss2310\3rdyearlab - Module2\BBr3 molecule\BBr3 optimised molecule - based on BH3.chk # opt b3lyp/gen nosymm geom=connectivity gfinput pseudo=cards BBr3 molecule based on BH3 6-31G basis set 0 1 B 0.00000000 0.00000000 0.00000000 Br 1.29903800 -0.75000000 0.00000000 Br 0.00000000 1.50000000 0.00000000 Br -1.29903800 -0.75000000 0.00000000 1 2 3 4 B 0 6-31G(d,p) **** Br 0 LanL2DZ **** Br 0 Lanl2DZ