dft/pbe0/6-31g* opt dftgrid(rad_npts=150,ang_npts=974)
geom="""
N      0.000000     0.000000     0.000000
H      0.000000     1.016636     0.000000
H     -0.880433    -0.508318     0.000000
H      0.880433    -0.508318     0.000000
"""
