CCL: TD-DFT on open shell systems

Yi Gao:
 > When I use Guassian98 to deal with open-shell systems, I found that
 > the TDDFT could also do work. But the Guassian's reference say TDDFT
 > could only deal with close-shell systems. I want to know whether the
 > results obtained reliable or not?
 Gaussian98 will perform TD-DFT calculations on open shell systems.
 For example, a recent TD-UB3LYP/cc-pVTZ calculation on the phenoxyl
 radical yielded excellent results for low energy electronic
 transitions [a]:
  TD-UB3LYP/cc-pVTZ    Obs., Ar matrix
         cm-1(f)        cm-1(eps,+/-50%)
 2-B2    8300(0)        8900(-)
 2-A2   19200(0.005)   16000(150)
 2-B1   28900(0.029)   25200(3600)
 2-A2   36300(0.042)   33900(9600)
 2-B1   44000(0.150)   41800(13000)
 Unfortunately, the Gaussian output does not contain any precise
 information on the spin properties of the computed excited states.
 Does anybody know how to extract such information, say, the
 expectation value of S^2 ?
 Yours, Jens >--<
 [a] G. Radziszewski, M. Gil, A. Gorski, J. Spanget-Larsen, J. Waluk,
 B.J. Mroz: "Electronic states of the phenoxyl radical", J. Chem.
 Phys. 115, December 2001.
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