%chk=\\icnas1.cc.ic.ac.uk\lz3717\Desktop\1styearlab\NH3 SHERRY 12.chk
# opt freq b3lyp/6-31g(d,p) geom=connectivity integral=grid=ultrafine

NH3 optimisation 1

0 1
 N                 -3.65325074   -0.13931888    0.00000000
 H                 -3.31992885   -1.08213197    0.00000000
 H                 -3.31991164    0.33208129    0.81649673
 H                 -3.31991164    0.33208129   -0.81649673

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