code: def geom2alpha(geom):
      mol = gto.Mole()
      mol.atom = geom
      mol.basis = "6-31G(2df,p)"  # QM9
      # mol.basis = '6-31G*' # Kddcup
      mol.nelectron += (
          mol.nelectron % 2
      )  # Make it full shell? Otherwise the density matrix will be 3D
      mol.build(0, 0)
  
      mf = dft.RKS(mol)
      mf.xc = "b3lyp"
      mf.kernel()
  
      polar = mf.Polarizability().polarizability()
      xx, yy, zz = polar.diagonal()
      return (xx + yy + zz) / 3
  
imports: from pyscf import gto, dft
  from rdkit import Chem
  from scipy.constants import physical_constants
label_desc: Use image node_id 2 for calling a global function with example usage: geom2alpha(geom) and returns: unknown