dft/pbe0/6-31g* opt dftgrid(rad_npts=150,ang_npts=974)
geom="""
N      0.000000     0.000000     0.115000
H      0.000000     0.940000    -0.268000
H      0.814064    -0.470000    -0.268000
H     -0.814064    -0.470000    -0.268000
"""
