Cheminformatics, Chemoinformatics, Python, Quantum, Chemistry.
psi4.core.set_num_threads(1) zmatrix = '''\ H11 O11 H11 0.9600 C11 O11 1.4000 H11 108.0000 H12 C11 1.1000 O11 112.0000 H11 -60.0000 H13 C11 1.1000 O11 112.0000 H11 60.0000 H14 C11 1.1000 O11 111.8699 H11 -180.0000 ''' universe = psi4.geometry(zmatrix) universe.update_geometry() universe.print_out()