#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=1.34756654 BL12=1.3741572 BA12=124.20858842 BL13=1.77067949 BA13=119.85458186 DA13=-174.50234513 BL14=1.37861234 BA14=118.78097822 DA14=2.91170397 BL15=1.08605422 BA15=126.88653796 DA15=182.94321401 BL16=1.36284536 BA16=96.90117365 DA16=-124.18178677 BL17=0.98423228 BA17=108.05061439 DA17=4.63171119