[no subject]



CCL,
 I'm trying to calculate isotropic HFCCs for the hydroxyl radical with various
 methods.  The literature values are -17.3 and -26.2 G for oxygen and hydrogen,
 repectively, with the QCISD method.  I get values of -33.7 and -39.6 G.  These
 values do not change with method (i.e. MP2, QCIS, CCD and CIS).  My input is:
 %chk=oh-ccsd.chk
 #CCSD(Full)/EPR-III
 Single-point of hydroxyl radical with CCSD.
 0 2
 Does anyone know if there is a keyword that I'm suppose to be using with these
 methods in order for them to calculate the correct values?
 Thanks for any help!
 Kali Parr