%chk=\\icnas4.cc.ic.ac.uk\at3815\Labs\IMM2\at3815_nh3_optf_pop.chk
# opt freq b3lyp/6-31g(d,p) geom=connectivity integral=grid=ultrafine
pop=(full,nbo)

NH3 optimisation

0 1
 N                 -0.00000000    0.00000000   -0.12999997
 H                  0.00000000    1.22565170    0.30333326
 H                  1.06144551   -0.61282585    0.30333326
 H                 -1.06144551   -0.61282585    0.30333326

 1 2 1.0 3 1.0 4 1.0
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