COMMA2_Qyy_Estate_mc
Estate value quadrupole moment Qyy about molecular centroid
COMMA2_Qzz_Estate_mc
Estate value quadrupole moment Qzz about molecular centroid
COMMA2_Qxx_Estate_cm
Estate value quadrupole moment Qxx about center of mass(cm)
COMMA2_Qxx_vdw_cr
VDW radius quadrupole moment Qxx about center of SMR fragment [...]
COMMA2_Qyy_vdw_cr
VDW radius quadrupole moment Qyy about center of SMR fragment [...]
COMMA2_Qzz_vdw_cr
VDW radius quadrupole moment Qzz about center of SMR fragment [...]
COMMA2_O1_en
Electronegativity quadrupole moment O1 about property field center
COMMA2_O2_en
Electronegativity quadrupole moment Q2 about molecular centroid
COMMA2_O3_en
Electronegativity quadrupole moment Q3 about molecular centroid
COMMA2_Qxx_en_mc
Electronegativity quadrupole moment Qxx about molecular centroid