Supported by Key Natural Science Program of the Education Department of Sichuan Province(07ZB080);Scientific Research Foundation for Masters of Xichang College~~
B3LYP/6-311++G level were employed to obtain the optimized geometries and calculated frequency of HCOCl and HOCl complexes.Five stable isomers were obtained,and the one with ClO-H…O=C hydrogen bond was the most sta...