%Mem=8000000 #N BLYP/6-31+G(3d) OPT(EF) SCF=DIRECT syn -1 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 BL11=1.37238483 BL12=1.24715104 BA12=135.57300847 BL13=2.00990389 BA13=106.32867599 DA13=-175.25481405 BL14=1.42602104 BA14=119.27600569 DA14=-1.50272133 BL15=1.08534327 BA15=127.35375008 DA15=190.83701962 BL16=1.36083362 BA16=93.3250853 DA16=-133.19989248