From owner-chemistry -x- at -x- ccl.net Fri Dec 28 11:03:01 2007
From: "Arvydas Tamulis tamulis-x-mserv.itpa.lt" <owner-chemistry[-]server.ccl.net>
To: CCL
Subject: CCL:G: Keyword for "Condensed to atoms (all electrons)"
Message-Id: <-35942-071228013441-5970-YEkwq8kAyWsiojjstlR87A[-]server.ccl.net>
X-Original-From: Arvydas Tamulis <tamulis:-:mserv.itpa.lt>
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Date: Fri, 28 Dec 2007 07:54:22 +0200 (EET)
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Sent to CCL by: Arvydas Tamulis [tamulis-*-mserv.itpa.lt]

Dear Colleagues,

I usuly am using keyword Iop(6/3=12) in G03 for printing
the matrix: "Condensed to atoms (all electrons)" while
yesterday I did not found printed this matrix.
Would you please to advise me which keyword I have to use
for priting matrix "Condensed to atoms (all electrons)"

My efforts were:

input:
#P UB3LYP 6-311G Iop(6/3=12)

fragment of output:
Beta virt. eigenvalues --   50.00787  50.12237
           Condensed to atoms (all electrons):
  Mulliken atomic charges:
               1
      1  C   -0.171799

Cheers,
Arvydas