The Guess panel contains settings related to the initial guess. It is illustrated below. Consult the discussion of the Guess keyword in the Gaussian User’s Reference for full details on these options.
The
popup specifies the type of initial guess to use. It has the following options:
Gaussian Initial Guess Options
The checkboxes in this panel have the following meanings:
Option
|
Default
|
Keyword
|
|
Off
|
Guess=Mix
|
|
Off
|
Guess=Only
|
|
Off
|
Guess=Save
|
|
Off
|
Guess=Fragment
|
|
Off
|
Guess=Always
|
|
Off
|
Guess=Local
|
|
On
|
Guess=Permute
|
The MO Editor. If enabled, it is on by default.
is disabled unless you have specified an alternate orbital ordering with theThe Atom Group Editor. If enabled, it is checked by default. In addition, fragment-specific charges and spin multiplicities are generated and placed into the route section. You can also modify them using the Atom Group Editor (see the example for antiferromagnetic coupling in a later section of this manual).
is disabled unless fragments have been defined using theSee here for a list of equivalent G16 Keywords for Gaussian Calc. Setup selections.