%chk=\\icnas2.cc.ic.ac.uk\em316\MO2ndCompLab\EM316_bh3_opt.chk
# opt b3lyp/3-21g geom=connectivity integral=grid=ultrafine

BH3 optimisation

0 1
 B                 -2.41486066   -0.32507739    0.00000000
 H                 -0.86486066   -0.32507739    0.00000000
 H                 -3.18486066    1.00860173    0.00000000
 H                 -3.17986066   -1.65009626    0.00000000

 1 2 1.0 3 1.0 4 1.0
 2
 3
 4

