1 2 atom density matrix, multiplicity 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.67297581E+00 0.11256303E-35 -0.43915593E-17 0.35187664E-17 -0.11617622E-01 -0.37054305E-01 -0.74721980E-17 0.94698105E-19 0.56674746E-01 -0.15460175E+00 -0.43915593E-17 -0.35187664E-17 0.76094441E+00 -0.23470586E-35 0.23389237E-16 -0.89685105E-17 0.53984836E-01 0.78649650E-01 0.74721980E-17 -0.94698105E-19 -0.11617622E-01 0.37054305E-01 0.23389237E-16 0.89685105E-17 0.38173206E+00 0.00000000E+00 -0.23389237E-16 0.89685105E-17 -0.11617622E-01 -0.37054305E-01 -0.74721980E-17 -0.94698105E-19 0.53984836E-01 -0.78649650E-01 -0.23389237E-16 -0.89685105E-17 0.76094441E+00 0.23470586E-35 0.43915593E-17 -0.35187664E-17 0.56674746E-01 0.15460175E+00 0.74721980E-17 0.94698105E-19 -0.11617622E-01 0.37054305E-01 0.43915593E-17 0.35187664E-17 0.67297581E+00 -0.11256303E-35