[molpro-user] Problems with SLAPAF when using Cs symmetry

[Olivier Vieuxmaire]

Following the problems previously reported with SLAPAF, I've been using 
the patch level 152 of Molpro 2006.1 but I still encounter problems when 
performing constrained optimizations in Cs symmetry.

Here is the geometry specification with the SLAPAF command:

  geometry={z;
  C1;
  C2,,  0.034215123, -3.947243033,  2.282180659;
  C3,,  0.034215123, -3.947243033, -2.282180659;
  C4,,  0.051390931, -5.271063773,  0.000000000;
  C5,,  0.007440761, -1.309438818, -2.286441961;
  C6,,  0.007440761, -1.309438818,  2.286441961;
  O1,, -0.088386081,  2.593681034,  0.000000000;
  H1,, -0.026131924, -0.262674456, -4.026430411;
  H2,, -0.026131924, -0.262674456,  4.026430411;
  H3,,  0.036258408, -4.957016223, -4.045239879;
  H4,,  0.036258408, -4.957016223,  4.045239879;
  H5,,  0.069028057, -7.302524088,  0.000000000;
  H6,,  1.573041148,  3.264278584,  0.000000000;
  }

  rcc=4.35;

  hf;

  {optg,method=slrf
   constraint,$rcc,bond,atoms=[C5,C6]}

**************************************************

In the output, Molpro recognizes the Cs symmetry at the beginning but I 
keep getting the error message "Undefined symmetry operator" at the beginning of the optimization program.
I've been trying different things to overcome the problem but always get the same error.

Am I missing something obvious or is it a bug in SLAPAF?

Thanks in advance,

Olivier