%chk=\\ic.ac.uk\homes\ll4310\Desktop\3rdyearlabs\BH3 optimisation.chk
# opt b3lyp/6-31g(d,p) geom=connectivity

BH3 optimisation

0 1
 B                  0.00000000    0.00000000    0.00000000
 H                  0.00000000    1.50000000    0.00000000
 H                  1.29903800   -0.75000000    0.00000000
 H                 -1.29903800   -0.75000000    0.00000000

 1
 2
 3
 4