Units

DESCRIPTION

TheUnitskeyword controls the units used in the Z-matrix for distances and angles and related values, such as step-sizes in numerical differentiation. The defaults are Angstroms and degrees.

OPTIONS

Ang
Distances are in Angstroms (this is the default).

AU
Distances are in atomic units (Bohrs).

Deg
Angles are in degrees (the default).

Rad
Angles are in radians.

RESTRICTIONS

TheCharge,CubeandMassagekeywords are not affected by the setting of theUnitskeyword, and their input is always interpreted in units of Angstroms and degrees.


Last update: 23 April 2013

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