RS2 freqs/optimization

[Qadir K. Timerghazin]

Hi,

It seems that there's a bug with numerical frequencies and
optimization for RS2 in MOLPRO. When I am trying to do numerical
frequencies (with NOSYM, of course) or optimization

 casscf;occ,13; closed,10;wf,23,1,1;
 RS2; wf,23,1,1;
 FREQUENCIES,NUMERICAL,STARTCMD=casscf;

or
 
 casscf;occ,13; closed,10;wf,23,1,1;
 RS2; wf,23,1,1;
 optg,numerical,STARTCMD=casscf;METHOD,QSD;

MOLPRO always crashes with "Received signal 11 Segmentation violation"
(this happens on Linux boxes as well as on Alpha/Tru64 machine).

On the other hand

 opt,numerical,STARTCMD=casscf;METHOD,QSD;

works just fine.

As I look through this mailing list archive, it appears that I am
not the first one to have troubles with RS2 numerical frequencies, but
there were no answers so far...

-- 
Best regards,
 Qadir                          mailto:Qadir.Timerghazin at CERMM.Concordia.CA

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Qadir K. Timerghazin                 * Kadyr K. Timergazine
                                     *
Concordia University                 * Universitй Concordia
7141 Sherbrooke St.West              * 7141 Sherbrooke Ouest
Richard J. Renaud Science Complex    * Complexe des sciences Richard-J.-Renaud
Montreal, Quebec,                    * Montrйal, Quйbec,
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