%chk=\\icfs16.cc.ic.ac.uk\hg508\computational lab\module 2\HAYLEIGH_TLBR3_OPT2.chk
# opt b3lyp/lanl2dz geom=connectivity

TlBr3 optimisation 2

0 1
 Tl                 0.00000000    0.00000000   -0.00000000
 Br                 0.00000000    2.65095281    0.00000000
 Br                 2.29579248   -1.32547641    0.00000000
 Br                -2.29579248   -1.32547641    0.00000000

 1 2 1.0 3 1.0 4 1.0
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