%chk=\\ic.ac.uk\homes\ss2310\3rdyearlab\Better basis set for optimised BH3.chk
# opt b3lyp/6-31g(d,p) geom=connectivity nosymm

BH3 optimisation

0 1
 B                  0.00000000    0.00000000    0.00000000
 H                  0.00000000    1.22503100    0.00000000
 H                 -1.06090800   -0.61251600    0.00000000
 H                  1.06090800   -0.61251600    0.00000000

 1 2 1.0 3 1.0 4 1.0
 2
 3
 4

