Subject: IOp(11) in l601 of Gaussian

From: [email-masked] (Georg Schreckenbach)
Date: Fri, 12 Nov 1999 17:18:34 -0600

Dear all:

looking thru' the comment section of l601 of the Gaussian program, G94 or G98,
I find that, supposedly, IOp(11) regulates Mulliken output of "gross
orbital type
charges". However, turning it on or off has no influence whatsoever on my
output.
Further, scanning the l6*.F source files for the string "IOp(11)" doesn't
turn up
anything but the mentioned comments. Is this a dead IOp? And how do I get
those charges per orbital type, e.g., s or p charge on atom N? (Well, I can, of
course, add the Mulliken charges per basis function as desired, but this is
rather
tedious for a large basis set.)

Thanx! I'll summarize as usual if there is any interest.

Best regards, Georg

P.S. I have send the very same question to Gaussian also.

--
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Dr. Georg Schreckenbach           Tel:     (USA)-505-667 7605
Theoretical Chemistry T-12        FAX:     (USA)-505-665 3909
M.S. B268, Los Alamos National      E-mail:  [email-masked]
Laboratory, Los Alamos, New Mexico, 87545, USA
Internet:    http://www.t12.lanl.gov/home/schrecke/
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