COMMA2_Qyy_charge_mc
MPEOE charge quadrupole moment Qyy about molecular centroid
COMMA2_Qzz_charge_mc
MPEOE charge quadrupole moment Qzz about molecular centroid
COMMA2_Qxx_charge_cm
MPEOE charge quadrupole moment Qxx about center of mass(cm)
WHIM_gWSHA_K_SMR
The shape of the molecule represented by directional WHIM shape [...]
WHIM_gWSYM_G_SMR
The total symmetry of the molecule represented by directional WHIM [...]
WHIM_gWDEN_D_SMR
The total density of the atoms accounted for by directional [...]
COMMA2_O1_mass
Mass quadrupole moment O1 about property field center
COMMA2_O2_mass
Mass quadrupole moment Q2 about molecular centroid
COMMA2_O3_mass
Mass quadrupole moment Q3 about molecular centroid
COMMA2_Qxx_mass_mc
Mass quadrupole moment Qxx about molecular centroid