From owner-chemistry@ccl.net Thu Sep 1 08:54:00 2011 From: "sonia boumendil bouson80(!)hotmail.com" To: CCL Subject: CCL:G: ask for information Message-Id: <-45365-110901074316-21026-ed08AOL+UMvUd2a7tvtIdQ:_:server.ccl.net> X-Original-From: "sonia boumendil" Date: Thu, 1 Sep 2011 07:43:13 -0400 Sent to CCL by: "sonia boumendil" [bouson80[]hotmail.com] Dears , I have always this error in the end of my calcul # opt=(restart,z-matrix) b3lyp/6-31g(d) geom=connectivity --- ---- Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX=-39793.3912 YYYY= -2092.7449 ZZZZ= -1708.2159 XXXY= 101.9992 XXXZ= 696.0057 YYYX= -17.2184 YYYZ= 26.2306 ZZZX= -178.7866 ZZZY= -38.2662 XXYY= -4641.8669 XXZZ= -4605.4276 YYZZ= -630.8215 XXYZ= -77.9584 YYXZ= 69.9934 ZZXY= 16.5817 N-N= 3.649231647903D+03 E-N=-1.230803011196D+04 KE= 2.094010568430D+03 I FIND THAT THE THREE TRULY GREAT TIMES FOR THINKING THOUGHTS ARE WHEN I AM STANDING IN THE SHOWER, SITTING ON THE JOHN, OR WALKING. -- COLIN FLETCHER Error termination request processed by link 9999. Error termination via Lnk1e in C:\G03W\l9999.exe at Fri Aug 26 06:15:21 2011. Job cpu time: 0 days 19 hours 41 minutes 48.0 seconds. File lengths (MBytes): RWF= 157 Int= 0 D2E= 0 Chk= 23 Scr= 1