1 2 atom density matrix, multiplicity 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.67297799E+00 -0.17243623E-35 -0.45225816E-17 0.35798928E-17 -0.11771257E-01 -0.36974979E-01 -0.73883986E-17 0.82441061E-19 0.56695279E-01 -0.15461317E+00 -0.45225816E-17 -0.35798928E-17 0.76092668E+00 -0.92287612E-35 0.23516127E-16 -0.89592421E-17 0.53995594E-01 0.78648719E-01 0.73883986E-17 -0.82441061E-19 -0.11771257E-01 0.36974979E-01 0.23516127E-16 0.89592421E-17 0.38168350E+00 0.00000000E+00 -0.23516127E-16 0.89592421E-17 -0.11771257E-01 -0.36974979E-01 -0.73883986E-17 -0.82441061E-19 0.53995594E-01 -0.78648719E-01 -0.23516127E-16 -0.89592421E-17 0.76092668E+00 0.92287612E-35 0.45225816E-17 -0.35798928E-17 0.56695279E-01 0.15461317E+00 0.73883986E-17 0.82441061E-19 -0.11771257E-01 0.36974979E-01 0.45225816E-17 0.35798928E-17 0.67297799E+00 0.17243623E-35