%chk=000108865.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000108865 0 1 S -4.177300 -1.079800 -0.1056000 S 3.431400 -1.479000 0.5787000 O 0.8115000 -6.7299999E-02 -0.2680000 O -0.5251000 1.686900 0.4101000 C -1.494900 -0.4697000 -0.1637000 C 1.971100 0.7596000 -0.1265000 C -2.858200 0.1437000 0.1336000 C -0.3785000 0.5313000 3.6400001E-02 C 3.220000 -2.5800001E-02 -0.4949000 H -1.305400 -1.317400 0.5052000 H -1.454000 -0.8134000 -1.204100 H 1.878600 1.620100 -0.7997000 H 2.038100 1.127700 0.9048000 H -3.050200 0.9961000 -0.5265000 H -2.903100 0.5077000 1.165500 H 4.108300 0.6074000 -0.4133000 H 3.145800 -0.3902000 -1.524400 H -3.767500 -1.937200 0.8408000 H 4.557200 -1.928500 5.2999998E-03 %chk=000108865-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000108865 0 1 S -4.176409 -0.891933 0.158938 S 2.724137 -1.432744 0.816166 O 0.759905 0.366918 -1.047695 O 0.088490 1.004044 1.103275 C -1.438163 -0.282715 -0.362641 C 2.129741 0.880728 -0.795452 C -2.547754 -0.075110 0.678535 C -0.151028 0.430089 0.017918 C 3.111144 -0.283833 -0.637702 H -1.198429 -1.357876 -0.477822 H -1.762500 0.064798 -1.360181 H 2.385293 1.474863 -1.690413 H 2.113334 1.531750 0.097293 H -2.798079 0.991743 0.788905 H -2.253989 -0.457370 1.667610 H 4.137110 0.107913 -0.526395 H 3.078504 -0.945095 -1.518585 H -3.722205 -2.199070 0.244705 H 2.768698 -0.454899 1.797243