%chk=H:\1styearlab\yh_NH3_optimisation.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    0.11501668
 H                  0.00000000    0.94307988   -0.26837226
 H                 -0.81673113   -0.47153994   -0.26837226
 H                  0.81673113   -0.47153994   -0.26837226

 1 2 1.0 3 1.0 4 1.0
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