Subject: Help: How to determine the symmetry of the orbital after stable calculation in G98?

From: 6!Q8@W <dxl:at:mail.ustc.edu.cn>
Date: Sun, 20 Jul 2003 18:13:33 +0800

Dear CCls：

　　After the stable=opt calculation, the symmetries of the orbitals are
	changed and the G98 only gave something like (?A)(?B), and said
	"Unable to determine electronic state: an orbital has unidentified symmetry."
	
	How can I get the right symmetry and the electronic state?

    Thank you for your help!　　　　　　　　
 				
　　　　　　　　　　　　　　Ding Xunlei
　　　　　　　　　　　　　　2003-07-20
______________________________________________
Ding Xunlei, Ph.D. Candidate
Open Laboratory of Bond Selective Chemistry
University of Science & Technology of China
Hefei, Anhui 230026, P.R.China
Tel.: 0086-551-3603418
Fax.: 0086-551-3602969
E-mail: [email-masked]
Http://www.bsc.ustc.edu.cn/~dxl