IMIDAZOLE EXPERIMENTAL DIPOLE MOMENT 3.67 EMPIRICAL DIPOLE MOMENT X= -1.07343 Y= -3.87883 Z= 0.168737 TOT= 4.02816 ______________________________________________ IMIDAZOLE-WATER INTERACTIONS 1) CE1-HE1...OHH A.I: 2.45, -2.44, AI-EMP DIFF:1.363015E-02 EMP: 2.22 -2.42637 -2.35693 -6.944714E-02 2) ND1-HD1...OHH A.I: 2.07, -6.65, AI-EMP DIFF:7.341003E-02 EMP: 1.88 -6.57659 -7.56631 0.989716 3) CG-HG...OHH A.I: 2.51, -2.40, AI-EMP DIFF:0.91365 EMP: 2.65 -1.48635 -1.41678 -6.956795E-02 4) CD2-HD2...OHH A.I: 2.66, -0.99, AI-EMP DIFF:0.114761 EMP: 2.63 -0.875239 -0.820915 -5.432418E-02 1) NE2...HOH A.I: 2.12, -7.26, AI-EMP DIFF:3.429031E-02 EMP: 1.9 -7.22571 -8.40402 1.17831 AVEDIFF, RMSDIFF, AVERAGE ABSOLUTE ERROR 0.229948 0.343597 0.229948