dft/pbe0/6-31g* ts(S0,search="qst2",product="nh3-inverted.xyz") dftgrid(rad_npts=150,ang_npts=974)
geom="""
N      0.000000     0.000000     0.098477
H      0.000000     0.937185    -0.295432
H     -0.811626    -0.468592    -0.295432
H      0.811626    -0.468592    -0.295432
"""