%chk=\\icfs7.cc.ic.ac.uk\sp3609\Computational Labs\module 2\tlbr3optimisation.chk
# opt b3lyp/lanl2dz geom=connectivity

TlBr3 optimisation

0 1
 Tl                -0.00000000   -0.00000000    0.00000000
 B                 -2.10444173    1.21500000   -0.00000000
 B                  2.10444173    1.21500000   -0.00000000
 B                  0.00000000   -2.43000000   -0.00000000

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