CCL:G: SCF is confused?

 Sent to CCL by: "VITORGE Pierre 094605" [Pierre.VITORGE!^!cea.fr]
 Try a single point HF calculation, then your MP2 calculation with Keyword
 guess=read. If it does not work, you can try other intermediary single point
 calculations with smaller basis set and poor convergence in SCF options.
 Pierre Vitorge
 http://www.vitorge.name
 -----Message d'origine-----
 De : owner-chemistry]~[ccl.net [mailto:owner-chemistry]~[ccl.net]
 Envoyé : lundi 30 juin 2008 14:39
 À : VITORGE Pierre
 Objet : CCL:G: SCF is confused?
 Sent to CCL by: "Sarah R Whittleton" [SWhittleton|dal.ca]
 Hi CCL,
 I am trying to run a BSSE single-point calculation (counterpoise) using MP2 on
 an organotin compound.  The tin atom is described using the Stuttgart ECP and an
 augmented, triple-zeta basis set.  After running for 11 hours the calculation
 dies uncompleted and the output (copied below) says that Density matrix is not
 changing but DIIS error and the SCF is confused.  I have run similar
 calculations with the same method on different organotin compounds and this is
 the only one giving me trouble.  I want to keep the method (MP2) and basis set
 consistent between compounds  is there anything I can do to make resolve this
 problem and allow the calculations to complete normally?  I have also included
 the first lines of the input file for this calculation.
 I thank you all in advance for any suggestions,
 Sarah Whittleton
 ********************************
 Ph.D. Candidate
 Department of Chemistry
 Dalhousie University
 Halifax, NS  B3H 4J3
 THE END OF THE OUTPUT FILE:
 The electronic state of the initial guess is 2-A.
  <S**2> of initial guess= 0.7500
  Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
  Requested convergence on MAX density matrix=1.00D-06.
  Requested convergence on             energy=1.00D-06.
  No special actions if energy rises.
  Restarting incremental Fock formation.
  Density matrix is not changing but DIIS error= 1.23D-06 CofLast=-1.58D-02.
  The SCF is confused.
  Error termination via Lnk1e in /usr/local/gaussian/g03/l502.exe at Tue Jun 24
 22:30:03 2008.
  Job cpu time:  0 days 11 hours  8 minutes 18.9 seconds.
  File lengths (MBytes):  RWF=  65118 Int=      0 D2E=      0 Chk=      8 Scr=
 1
 THE INPUT FILE:
 %mem=2GB
 %nprocs=3
 %chk=MP2-test.chk
 # MP2/GenECP Pseudo=Read counterpoise=2 maxdisk=200GB
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