Charge Keyword
Last Update:
12/31/2000
| Description |
The Charge keyword requests that a background charge distribution be included in the calculation. The charge distribution is made up of point charges [205-206]. Only valid for single-point calculations.
By default, the charges are read from the input stream, one per line, in this format:
x y z charge point charge format
Coordinates are in the units specified by the Units keyword (defaulting to Angstroms) and in the input orientation. This is a change in behavior with respect to earlier versions of Gaussian.
| Options |
Angstroms
Indicates that input charge locations are
specified in Angstroms.
Bohrs
Indicates that input charge locations are
specified in Bohrs.
StandardOrientation
Indicates that the input charges
are specified in the standard orientation rather than the input orientation.
Use the %KJob=L301 Link 0 command to quickly determine the standard
orientation for a molecule.
Check
Reads the background charge distribution from the
checkpoint file.
| Availability |
Single point energy calculations only. Not valid with semi-empirical methods.
This keyword is not affected by the setting of the Units keyword, and its input is always interpreted in units of Angstroms and degrees.
| Related Keywords |