Conformational Effects On The Quadrupolarity Of Azines. An Ab Initio Quantum-Mechanical Study Of A Lateral Synthon.

Rainer Glaser, Michael Lewis and Zhengyu Wu

Department of Chemistry
University of Missouri-Columbia
Columbia, Missouri 65211 (USA)

Method	Basis Set	180	160	140	120
RHF	6-31G*	pdb	pdb	pdb	pdb
	6-31G**	pdb	pdb	pdb	pdb
	6-311G**	pdb	pdb	pdb	pdb
	6-311++G**	pdb	pdb	pdb	pdb
MP2(full)	6-31G*	pdb	pdb	pdb	pdb
	6-31G**	pdb	pdb	pdb	pdb
	6-311G**	pdb	pdb	pdb	pdb
	6-311++G**	pdb	pdb	pdb	pdb
QCISD	6-31G*	pdb	pdb	pdb	pdb
	6-31G**	pdb	-	-	-
	6-311G**	pdb	-	-	-
	6-311++G**	pdb	-	-	-