I think in order to visualize NBOs, there is no need to save it in
the checkpoint file. All required results will be written in output
file using pop=(nbo,full) instead of savenbos. In addition to this
you
should also use opt=tight instead of opt for tight convergence
criteria. I hope this will work. Good luck :).
S. Niaz, Greece.
On 2013-12-20 18:57, mahnaz ghiasi mahnaz271163],[yahoo.com wrote:
Dear shanawersi
shanawersi
Route
section: # opt freq=raman b3lyp/6-311++g(d,p) pop=(nbo,savenbo)
geom=connectivity
On Friday, December 20, 2013 4:56 PM, shanawersi
shanawersi~!~upatras.gr <owner-chemistry..ccl.net> wrote:
Mahnaz, you should be more specific in this case (NBOs)!!! Its
better if you will provide some more details such as keywords you used
in input and last part of output file etc.
S. Niaz
On 2013-12-20 12:25, mahnaz gh mahnaz271163:yahoo.com wrote:
Sent to CCL by: "mahnaz gh" [mahnaz271163[-]yahoo.com]
Hi there
I ran an input in G09 and after 4 hours, the link died due to the
"error termination via lnk1e in c:G09w1607.exe". Would you
please help
me to solve this problem?
regards -= This is automatically added to each message by the
mailing script =-E-mail to subscribers: CHEMISTRY|a|ccl.net or use:[1]
E-mail to
administrators: CHEMISTRY-REQUEST|a|ccl.net or
useSubscribe/Unsubscribe:Before posting, check wait time at:
http://www.ccl.netConferences: [2]
http://server.ccl.net/chemistry/announcements/conferences/
[3] Search
Messages:
http://www.ccl.net/chemistry/searchccl/index.shtmlhttp-:-//www.ccl.net/spammers.txt---1131079492-989901180-1387558647=:19483
[4]
Content-Type: text/html; charset=iso-8859-1
Content-Transfer-Encoding: quoted-printable
Hi there
I ran an input in G09 and after 4 hours, the link died due to the
"error termination via lnk1e in c:G09w1607.exe". Would you
please help
me to solve this problem?
regards