System

Conformation

Mulliken Charges

Group

Atoms

Unstacked

Stacked

HYDRATED PHENOL

Eclipsed (0˚)

-OH

O

−0.3376

−0.3025

H

0.2834

0.2939

Staggered (60˚)

-OH

O

−0.3376

−0.3025

H

0.2834

0.2939

Staggered (120˚)

-OH

O

−0.3376

−0.3025

H

0.2834

0.2939

Staggered (180˚)

-OH

O

−0.3376

−0.3025

H

0.2834

0.2939