import numpy as np
np.set_printoptions(precision=5, linewidth=200, suppress=True)
import psi4
# Memory for Psi4 in GB
psi4.set_memory('500 MB')
psi4.core.set_output_file("tei.out", False)
mol = psi4.geometry("""
O
H 1 1.1
H 1 1.1 2 104
symmetry c1
""")
psi4.set_options({'basis': 'sto-3g',
'scf_type': 'direct'})
wfn = psi4.core.Wavefunction.build(mol, psi4.core.get_global_option('BASIS'))
mints = psi4.core.MintsHelper(wfn.basisset())
# Get nbf and ndocc for closed shell molecules