Mass quadrupole moment Qyy about molecular centroid
Mass quadrupole moment Qzz about molecular centroid
Mass quadrupole moment Qxx about center of mass(cm)
Mass quadrupole moment Qyy about center of mass(cm)
Mass quadrupole moment Qzz about center of mass(cm)
Mass quadrupole moment Qxx about center of charge(cc)
eigenvalue ratio of 1st direction WHIM size descriptor and sum of directional WHIM size descriptors weighted by SMR
eigenvalue ratio of 2nd direction WHIM size descriptor and sum of directional WHIM size descriptors weighted by SMR
eigenvalue ratio of 3rd direction WHIM size descriptor and sum of directional WHIM size descriptors weighted by SMR
mean information content on the symmetry along 1st principal component covariance matrix weighted by SMR of the molecule atomic coordinates