Fw: Help:stable and freq calculation in g98

[<dxl_at_mail.ustc.edu.cn>]

 Dear CCLs
 In B3LYP calculations with different Key words,I got three SCF energies
 	(the symmetry is D{inf}h ):
 	Key words       energies(Hartree)
 	opt           -285.765847272
  	freq          -285.765847272 (guess=read from opt)	          (1)
 	stable=opt    -285.782563187
 	freq          -285.055421726 (guess=read from stable=opt)     (2)
 	I think this freq(2) calculation is wrong,because it has a bigger energy
 	and a virtual vibrational frequencies. Does the freq(1) give
 	the correct vibrational frequencies ?
     Thank you for your help!
 Ding Xunlei
 2003-07-10
 ______________________________________________
 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: dxl_at_mail.ustc.edu.cn
 Http://www.bsc.ustc.edu.cn/~dxl
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