From owner-chemistry-!at!-ccl.net Thu Jul 4 17:15:00 2019 From: "Mo Fateh mo.fateh|*|yahoo.com" To: CCL Subject: CCL: NBO + l607.exe error Message-Id: <-53781-190704170717-21730-E2BZrZq/yhCXlBVhgK1zuQ^server.ccl.net> X-Original-From: "Mo Fateh" Date: Thu, 4 Jul 2019 17:07:15 -0400 Sent to CCL by: "Mo Fateh" [mo.fateh() yahoo.com] Dear CCL users I got the following error during NBO calculations of some organic molecules. <> # pm7 nosymm geom=allcheck pop=nbo guess=read IOp(3/59=5) ---------------------------------------------------------- <> Unable to label the NBOs properly: 149 unstarred orbitals 77 occupied orbitals Error Error termination via Lnk1e in C:\G16W\l607.exe at Thu Jul 04 23:17:13 2019. Job cpu time: 0 days 0 hours 0 minutes 7.0 seconds. Elapsed time: 0 days 0 hours 0 minutes 6.1 seconds. File lengths (MBytes): RWF= 20 Int= 0 D2E= 0 Chk= 94 Scr= 1 ---------------------------------------------------------- Can anybody solve this problem? With thanks. Mo