%chk=\\ic.ac.uk\homes\jq411\Desktop\COMPLAB\bh3_opt.chk
# opt b3lyp/3-21g geom=connectivity

BH3 optimisation

0 1
 B                  2.11231518   -1.16991698    0.14738822
 H                  3.61231518   -1.16991698    0.14738822
 H                  1.36231518    0.12912113    0.14738822
 H                  1.36231518   -2.46895508    0.14738822

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