%chk=H:\downloads\Computational Lab\IMM2\1styearlab\01363227_PHunt_nh3_optf_pop.chk
# opt freq b3lyp/6-31g(d,p) geom=connectivity integral=grid=ultrafine
pop=(full,nbo)

nh3 optimisatio

0 1
 N                 -2.19814240    0.72755417    0.00000000
 H                 -1.76482394   -0.49810284    0.00000000
 H                 -1.76480156    1.34037440    1.06144575
 H                 -1.76480156    1.34037440   -1.06144575

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