%chk=\\icnas1.cc.ic.ac.uk\wd812\Desktop\Mod_inrog\wd812_bh3d3h_opt.chk
# opt b3lyp/3-21g geom=connectivity

BH3 optimisation

0 1
 B                  0.00000000    0.00000000    0.00000000
 H                  0.00000000    1.54812538    0.00000000
 H                 -1.34071591   -0.77406269    0.00000000
 H                  1.34071591   -0.77406269    0.00000000

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