%chk=000001883.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000001883 0 1 S 1.236400 2.235400 -0.3711000 O 1.262300 -2.399700 -1.1300000E-02 O -1.740500 -1.530700 -1.358600 O -2.308000 -1.743800 0.8465000 N 0.4534000 -0.2085000 0.3097000 N 3.212100 5.7300001E-02 -0.8299000 C 1.382700 0.8193000 0.7423000 C 2.503200 -0.1938000 0.4207000 C 1.348400 -1.216000 0.2188000 C -0.8736000 6.2000002E-03 0.1179000 C -1.382400 1.258300 3.2000002E-02 C -0.5192000 2.518100 3.9099999E-02 C -2.851900 1.579300 -9.8999999E-02 C -1.722900 -1.181400 -5.7100002E-02 H 1.287100 1.052700 1.809500 H 3.157300 -0.4298000 1.265500 H -0.8962000 3.228700 -0.7041000 H -0.5829000 2.997300 1.022200 H 2.611400 0.3447000 -1.601700 H 3.742700 -0.7446000 -1.167800 H -3.491100 0.6935000 -4.9300000E-02 H -3.047000 2.074400 -1.055900 H -3.163100 2.249500 0.7093000 H -2.297900 -2.321400 -1.521000 %chk=000001883-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000001883 0 1 S 1.303712 2.260722 -0.359226 O 1.282821 -2.175531 -0.979665 O -2.910532 -1.252234 -0.753198 O -1.470888 -2.344340 0.702359 N 0.414445 -0.280359 0.301639 N 3.612181 0.173213 -0.517183 C 1.400134 0.719675 0.740380 C 2.557994 -0.285520 0.338650 C 1.384448 -1.174541 -0.254646 C -0.961858 -0.051779 0.054725 C -1.447837 1.230770 -0.085078 C -0.556524 2.466814 -0.032746 C -2.912325 1.590748 -0.238779 C -1.767403 -1.311435 0.061004 H 1.308900 1.023490 1.794303 H 2.987253 -0.756026 1.239383 H -0.895006 3.187439 -0.799191 H -0.670619 2.962409 0.950542 H 3.366675 0.437121 -1.470788 H 4.533272 -0.241972 -0.400491 H -3.587789 0.780502 0.066395 H -3.138658 1.821777 -1.298218 H -3.144071 2.499647 0.349542 H -3.368025 -2.135590 -0.703013