Subject: G94/92: how it chooses "standard orientation"

From: Bakasov Ayaz <[email-masked]>
Date: Thu, 6 Mar 1997 11:25:06 +0100 (MET)

Dear Netters,

anyone can tell how Gaussian94/92...
chooses the so called "standard orientation"?

1) How it chooses the origin of the coordinate frame?
2) How it then chooses the orientation of axes?

After one inputs a molecular geometry,
Gaussian.. re-orients it somehow.
How and why?
Understanding the physical principles (if any)
of Gaussian's "standard orientation" would be
nice. At least one would know what to expect
from certain quantities like multipoles
or moments of inertia. So far, I only found
that the total dipole moment of nuclei
roughly vanishes (at least in some cases) at
Gaussian's standard orientation.

Reading manual didn't help much.
Explanations and references would
be very appreciated.

Regards,
Ayaz Bakasov.