Subject: CIS calculation

From: Stanislav Ivan <[email-masked]>
Date: Thu, 25 Oct 2001 19:32:57 +0200

Dear CCL'ers

I am doing some CIS calulations on aromatic diketones and ketenes using
G98 and some of my calculations suddenly crashed with following message:

**** Warning!!: The largest alpha MO coefficient is  0.23974133D+03

 Semi-Direct transformation.
 ModeAB=           4 MOrb=            22 LenV=      12275249
 LASXX=     14632552 LTotXX=    14632552 LenRXX=    29666813
 LTotAB=    15034261 MaxLAS=    63456756 LenRXY=           0
 NonZer=    44299365 LenScr=    78724297 LnRSAI=    63456756
 LnScr1=   107460383 MaxDsk=          -1 Total=    279308249
 SrtSym=           T ITran=            3

Is there anybody with similar experience or some idea how to solve this
problem ?
All advices are very appreciated. Thanks in advance.

Stan

-- 
Stanislav Ivan
Institut für Organische Chemie
St. Johanns Ring 19
4056 Basel
Switzerland

Tel.: (+41) (61) 267 11 44
E-mail: [email-masked]