CCL:G: Fw: CCL: error termination via lnk1e in c:\G09w\1607.exe



 Sent to CCL by: zvitnik [zvitnik|a|chem.bg.ac.rs]
 Mahnaz,
 
A few months ago I encountered a similar problem. NBO 3.1 from Gaussian, in situations when the basis set with diffuse functions was applied to highly delocalized system is not able to properly assign the electronic density of individual bonds according to Lewis theory. The only solution is to remove the diffuse functions from the basis set or to try some newer version of NBO program.
 Best regards,
 Zeljko
 On 2013-12-20 23:43, shanawersi shanawersi()upatras.gr wrote:
 
 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]
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 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