%Mem=8000000 #N BLYP/6-31G(3d) OPT(EF) SCF=DIRECT syn 0 1 C C 1 BL11 O 2 BL12 1 BA12 S 2 BL13 1 BA13 3 DA13 0 F 1 BL14 2 BA14 3 DA14 0 H 1 BL15 2 BA15 3 DA15 0 H 4 BL16 2 BA16 1 DA16 0 H 3 BL17 2 BA17 1 DA17 0 BL11=1.34648972 BL12=1.38017106 BA12=124.32568248 BL13=1.78043183 BA13=121.93913366 DA13=180.50174988 BL14=1.37257904 BA14=120.05182307 DA14=-179.73107525 BL15=1.09015417 BA15=126.05758681 DA15=0.05007818 BL16=1.35549366 BA16=93.60077693 DA16=-179.50695747 BL17=0.98144206 BA17=109.36474219 DA17=4.03470934