Keyword category:

Solvation: AMSOL

NOPOL

NOPOL — Polarization energy computed with gas phase solvent wavefunction.

Usage

NOPOL

Description

NOPOL computes the polarization solvation energy in non-self-consistent reaction field. The wavefunction is self-consistent for gas phase. This option is only available with SM5.2 and SM5.2R.

This option is not recommended.

Abbreviation:

none

Requires:

SM5.2 or SM5.2R

Required by:

none

Default value:

none