CCL:G: ask for information

 Sent to CCL by: "Gkourmpis, Thomas"
 [Thomas.Gkourmpis|a|borealisgroup.com]
 Sonia Hi
 In my experience if you get the quote in the end of a Gaussian calculation it
 means that the calculation has terminated normally and the following error has
 to do with the link 9999. That link tells the computer that the calculation has
 finished and has nothing to do with the actual mathematical computations.
 Therefore in this case your calculation has terminated normally and you can
 trust the results. Usually this type of error occurs (to the best of my
 knowledge at least) when not all of the convergence criteria are met during an
 optimisation. Is this the case for your calculation? Check the status of the SCF
 prediction in each iteration and you should have four criteria. Are they all set
 to YES in the last iteration? If not this is probably what confuses Link 9999.
 I hope this helps
 Thomas
 -----Original Message-----
 > From: owner-chemistry+thomas.gkourmpis==borealisgroup.com%a%ccl.net [mailto:owner-chemistry+thomas.gkourmpis==borealisgroup.com%a%ccl.net] On
 Behalf Of sonia boumendil bouson80(!)hotmail.com
 Sent: Thursday, September 01, 2011 1:43 PM
 To: Gkourmpis, Thomas
 Subject: CCL:G: ask for information
 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=
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