Fw: TDDFT how to determine the spin multiplicity

[dxl{at}mail.ustc.edu.cn]

 Dear CCL#:
 I have a problem when I do a TDDFT calculation.
 Then ground state is a singlet, but the calculation must be do with UB3LYP,
 for it has a RHF#->UHF instability. (   #UB3LYP/gen TD(nstates=10) )
 The result is
  Excited State   1:   ?Spin  -A"     0.3210 eV 3862.42 nm  f=0.0000
 I want to know how to determine the multiplicity whether it is singlet or
 triplet.
    Thank you for your help!
 Ding Xunlei
 2003-09-25
 ______________________________________________
 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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