%chk=H:\1styearlab\J_IP_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   -0.10000001
 H                  0.00000000   -0.94280900    0.23333324
 H                 -0.81649655    0.47140450    0.23333324
 H                  0.81649655    0.47140450    0.23333324

 1 2 1.0 3 1.0 4 1.0
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