0 !Lloro verbose output: 1 1 !ThreeD_Change allows the following actions 1 !Order_XYZ orders XYZ from greater to lesser absolute sum 1 !Center_of_Charges translates all XYZ to the nuclear center of charges 0 !Positive_Octant changes XYZ signs trying molecule lies in positive octant 1 !Dipole_align aligns XYZ such that nuclear dipole moment lies in X axis 1 !Quadrupole_Align orients XYZ to nuclear quadrupole principal components