CCL: problem with G09 wave function

["Krishna Chaitanya Gunturu" <krishnachaitanya.gunturu,,gmail.com>]

 Sent to CCL by: "Krishna Chaitanya Gunturu"
 [krishnachaitanya.gunturu|*|gmail.com]
 Dear CCL'ers
 I am trying to generate wave function for a heterocycle molecule which is
 expected to show diradical character. So I started with simple CH3 radical and
 there I could generate wave functions for total spin, alph-spin and beta-spin
 properly (here properly means in wave function files I could see proper
 occupation numbers and electron distribution between alpha and beta spins). But
 when it comes to my molecule, in beta  spin wave function I could not find any
 MO with occupation 1 or near to 1. Most of the MOs are with negligible
 occupation numbers and even total MOs from alpha and beta spins are not matching
 with the total MOs in total spin wave function. But when I use UB3LYP method I
 could find the matching between occupation numbers and total MOs from these
 three wave functions.
 But surprisingly for CH3 radical even restricted method (B3LYP/6-31G**) gives
 properly, then why not for my molecule. I even tried with CCSD method also but
 failed.
 I would be great-full if some one rectify me if I am in wrong direction or
 having wrong concept about wave function generation.
 Thanking you
 Best Regards
 Dr. G. Krishna Chaitanya
 Assistant Professor
 School of Chemical Sciences
 SRTM University
 Nanded-431 606
 India