System

Conformation

Mulliken Charges

Group

Atoms

Unstacked

Stacked

HYDRATED PHENOL

Eclipsed (0˚)

-OH

O

−0.3269

−0.2965

H

0.2768

0.2854

Staggered (60˚)

-OH

O

−0.3269

−0.2965

H

0.2768

0.2854

Staggered (120˚)

-OH

O

−0.3269

−0.2965

H

0.2768

0.2854

Staggered (180˚)

-OH

O

−0.3269

−0.2965

H

0.2768

0.2854