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a water monomer has HOH angle of 104.5 and OH length of 0.98 , partial charges are +0.4 on H and -0.8 on O. The reported electric dipole moment for this monomer is 1.86D. I tried to calculate it and got 2.3 D. The way I do it is by multiplying the distance between the center of the H-H and the oxygen atom times the partial chrge. Any clues why I get different result?
Thanks in advance
Thanks in advance