Subject: excited states-MOPAC93

From: [email-masked] (Michael Beck tel. 4816)
Date: Thu, 4 Aug 1994 15:08:32 +0200 (MET DST)

Dear Netters!

One colleaque of mine has the following trouble:
She wants to optimize geometries for exicited states of molecules like 
stilbene and to calculate their normal coordinates. How shall she use 
the keywords CISD, C.I.= and ROOT= to get, say, 50 energy selected 
configurations. Only single and double excitations shall be taken into 
account. 
Thanx 

M.E.Beck for Barbara Tilmanns