XLOGP3-AA of MOL opt.xyz: 4.77 -------------------------------------------------- + Contribution from Each Atom: 1 Cl.pi: 0.976 2 S.3: 0.844 3 N.3.pi: 0.439 4 N.3: 0.216 5 C.3.2h.X: -0.097 6 C.3.2h: 0.357 7 C.3.2h.X: -0.097 8 C.ar.(-X): -0.028 9 C.ar.(-X): -0.028 10 C.ar.(-X): -0.028 11 C.ar.(-X): -0.028 12 C.ar.h: 0.320 13 C.ar.h: 0.320 14 C.ar.h: 0.320 15 C.ar.h: 0.320 16 C.3.3h.X: 0.016 17 C.3.3h.X: 0.016 18 C.ar.(-X): -0.028 19 C.ar.h: 0.320 20 C.ar.h: 0.320 21 C.ar.h: 0.320