CCL:G: a question about solvent computation

 Sent to CCL by: "Ol  Ga" [eurisco1],[pochta.ru]
 Dear Isveracool,
 your job running was aborted during a SCF- procedure and there is severe spin
 contamination.
 So, I think that the correct route section should be
 #p uhf/6-311++g** scf=(vshift=100,xqc,tight,maxcycle=512)
 # scrf(pcm,read,solvent=water)
 Sincerely,
 Ol Ga
 ps. if you get an error in SCF-procedure try to use DAMP and NDamp keywords in
 an appropriate way or change the basis set.
 ----- Original Message -----
 > From:  lsveracool^^gmail.com
 To: Ga, Ol
 Sent: Wednesday, July 23, 2008 6:25 PM
 Subject: CCL:G: a question about solvent computation
 the head file is :
 #p hf/6-311++g** scf=tight scrf(pcm,read,solvent=water)
 the error termination is :
 Annihilation of the first spin contaminant:
  S**2 before annihilation     0.8506,   after     0.7572
  Convergence failure -- run terminated.
  Error termination via Lnk1e in /home/user/ustcguo/g03/l502.exe at Wed Jul 23
 22:02:34 2008.
  Job cpu time:  0 days  0 hours 31 minutes 45.5 seconds.
  File lengths (MBytes):  RWF=     82 Int=      0 D2E=      0 Chk=      2 Scr=
 1
 DeltaG (solv)                            (kcal/mol) =     -64.82
 the result comes out, but I wonder whether it is correct. because I 've
 calculated a file which gave two different DeltaGs on two mechines.
 thanks for the help!