%Mem=8000000 #N BLYP/6-31+G(3d) OPT(EF) SCF=DIRECT anti -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=1.37244986 BL12=1.25890196 BA12=131.24638834 BL13=1.97732685 BA13=111.58858005 DA13=179.99662355 BL14=1.42402239 BA14=121.07383741 DA14=-180.00203339 BL15=1.08909449 BA15=126.39493624 DA15=0.01302489 BL16=1.35565482 BA16=90.47982592 DA16=-179.98216634