import psi4
mol=psi4.geometry('''
 0 1
 symmetry c1
    N            0.000000042827     0.042320528608     0.000000000000
    H           -0.962919472381    -0.196005457377     0.000000000000
    H            0.481459438661    -0.196005395323     0.833910147352
    H            0.481459438661    -0.196005395323    -0.833910147352
''')

diedri=[135, 140, 145, 150, 155, 160, 165, 170, 175, 180]
psi4.set_options({"basis"           : '6-311G'})
PES=[]
for phi in diedri:
   psi4.set_module_options('optking', {'fixed_dihedral': "2 1 3 4 "+str(phi)})
   energy=psi4.optimize('scf', molecule=mol)
   PES.append((phi, energy))


for point in PES:
  print(" %5.1f%20.10f" % (point[0], point[1]))