CCL:G: Keyword for "Condensed to atoms (all electrons)"
- From: Arvydas Tamulis <tamulis:-:mserv.itpa.lt>
- Subject: CCL:G: Keyword for "Condensed to atoms (all
electrons)"
- Date: Fri, 28 Dec 2007 07:54:22 +0200 (EET)
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