CCL:G: optimizations in gaussian break symmetry

[Ding Xunlei <dingxunlei#,#gmail.com>]

 Sent to CCL by: Ding Xunlei [dingxunlei{}gmail.com]
 Dear Ben：
 Try to set iop(2/16)
 IOP(2/16=2) Keep going and leave symmetry on, using the old symmetry.
 IOP(2/16=3) Keep going and leave symmetry on, using the new symmetry.
 Yours sincerely,
 Ding Xunlei
 2006-10-17
 ______________________________________________
 ======= 2006-10-17 08:59:41 You have written: =======
 >Sent to CCL by: "Ben Vastine" [vastinator===gmail.com]
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 >does anyone know how to avoid breaking the symmetry in optimizations in
 >Gaussian?  for example, here is the end of one my files:
 >
 >Leave Link  103 at Fri Oct 13 02:55:01 2006, MaxMem=   73400320 cpu:
 >10.1
 > (Enter /home/chem1/g03_dir/g03/l202.exe)
 > Stoichiometry    C34H53P2Rh
 > Framework group  C2[C2(RhH),X(C34H52P2)]
 > Deg. of freedom   132
 > Full point group                 C2      NOp   2
 > Omega: Change in point group or standard orientation.
 >
 > Old FWG=C02  [C2(H1Rh1),X(C34H52P2)]
 > New FWG=C02  [C2(Rh1H1),X(C34H52P2)]
 > Error termination via Lnk1e in /home/chem1/g03_dir/g03/l202.exe at Fri Oct
 >13 02:55:03 2006.
 >
 >I've tried to change the grid, but I've had no success with that idea.  What
 >about step size?
 >
 >Thanks.
 >
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 >does anyone know how to avoid breaking the symmetry in optimizations in
 Gaussian?  for example, here is the end of one my files:
 <br><br>Leave Link&nbsp; 103 at Fri Oct 13 02:55:01 2006,
 MaxMem=&nbsp;&nbsp; 73400320
 cpu:&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 10.1<br>&nbsp;(Enter /home/chem1/g03_dir/g03/l202.exe)
 ><br>&nbsp;Stoichiometry&nbsp;&nbsp;&nbsp;
 C34H53P2Rh<br>&nbsp;Framework group&nbsp;
 C2[C2(RhH),X(C34H52P2)]<br>&nbsp;Deg. of freedom&nbsp;&nbsp;
 132<br>&nbsp;Full point
 group&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 C2&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; NOp&nbsp;&nbsp;
 2<br>&nbsp;Omega: Change in point group or standard
 orientation.<br><br>
 >&nbsp;Old FWG=C02&nbsp;
 [C2(H1Rh1),X(C34H52P2)]<br>&nbsp;New FWG=C02&nbsp;
 [C2(Rh1H1),X(C34H52P2)]<br>&nbsp;Error termination via Lnk1e in
 /home/chem1/g03_dir/g03/l202.exe at Fri Oct 13 02:55:03
 2006.<br><br>I've tried to change the grid, but I've had no success
 with that idea.&nbsp; What about step size?
 ><br><br>Thanks.<br><br>
 >
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 >
 >
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