CCL:G: quartet excited states/Gaussian manual example



 Sent to CCL by: "Bryan  Wong" [usagi01|a|gmail.com]
 Hi,
      I would like to calculate the lowest 3 quartet states of the neutral CaF
 radical using the SAC-CI program in Gaussian.
      My question is should the route section of my input be for the closed shell
 reference state:
  SAC-CI=(Full,Quartet=(NState=(3,0,0,0)))/6-31G(2df,2pd)
 CaF
 -1 1
 F
 Ca  1  1.5
      Or should it be for the open shell (ROHF) reference state:
  ROHF/6-31G(2df,2pd) SAC-CI=(Full,Quartet=(NState=(3,0,0,0)))
 CaF
 0 2
 F
 Ca  1  1.5
      The online Gaussian manual (http://www.gaussian.com/g_ur/k_sac-ci.htm) on the Examples
 section seems to indicate that the ROHF wavefunction should be used for the
 quartet states, but the examples in the /g03/tests/com section (such as
 test648.com) indicate that the closed shell reference state should be used.
 Thanks,
 Bryan