turning off symmetry

Qadir K. Timerghazin qtccl at gala.net
Thu Aug 7 23:02:56 BST 2003

Hi all,

I am trying to do numerical frequency calculation with CASPT2 for a
symmetric molecule, so I need to turn symmetry off.
But strangely enough, "NOSYM" option does not work: the following

gives me
"cannot find default basis VDZ                 for atomic number   102"
Apparently, MOLPRO does not recognize this option, but instead
understands it as Nobelium atom input.

Is it a bug or I am just doing something wrong?

Best regards,
 Qadir Timerghazin              mailto:qtccl at gala.net
                                mailto:Qadir.Timerghazin at CERMM.Concordia.CA

Qadir K. Timerghazin                 * Kadyr K. Timergazine
Centre for Research                  * Centre de Recherche en
in Molecular Modeling                * Modйlisation Molйculaire
Concordia University                 * Universitй Concordia
1455 De Maisonneuve Blvd St. West,   * 1455 Bvd De Maisonneuve Ouest
Montreal, Quebec,                    * Montrйal, Quйbec,
CANADA H3G 1M8                       * CANADA H3G 1M8
Room: 1034-1                         * Salle: 1034-1
Phone: (514) 848 3360                * Tel: (514) 848 3360

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