%chk=000151465.chk %nprocshared=12 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000151465 0 1 Br -0.4953000 -2.623900 0.1160000 N 3.063200 0.4391000 -8.3200000E-02 C 1.670000 0.4428000 0.3617000 C 0.7173000 0.1846000 -0.8082000 C -0.7210000 0.2068000 -0.3819000 C 3.420600 -0.8683000 -0.6324000 C 3.953800 0.7901000 1.022200 C -1.375300 -0.9454000 4.4199999E-02 C -1.394200 1.424800 -0.4240000 C -2.713800 -0.8795000 0.4314000 C -2.732800 1.490600 -3.6800001E-02 C -3.392500 0.3384000 0.3909000 H 1.510200 -0.2946000 1.159600 H 1.431200 1.424200 0.7932000 H 0.9217000 -0.7497000 -1.337000 H 0.8729000 0.9602000 -1.572200 H 2.953900 -1.046800 -1.605300 H 3.169000 -1.691800 4.5899998E-02 H 4.499400 -0.9176000 -0.8260000 H 4.993400 0.8395000 0.6795000 H 3.895900 6.8700001E-02 1.845600 H 3.708500 1.783000 1.415400 H -0.8933000 2.331500 -0.7522000 H -3.244700 -1.766500 0.7676000 H -3.261100 2.438900 -6.7599997E-02 H -4.434600 0.3899000 0.6925000 %chk=000151465-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000151465 0 1 Br -0.661642 -2.723930 -0.031525 N 3.089539 0.356689 -0.073468 C 1.669667 0.291350 0.343342 C 0.703507 0.159602 -0.866339 C -0.749677 0.205923 -0.430917 C 3.605970 -0.930762 -0.583847 C 3.954138 0.902960 0.993872 C -1.492396 -0.929392 -0.018026 C -1.431763 1.454246 -0.390406 C -2.835130 -0.851278 0.407832 C -2.772345 1.563126 0.034448 C -3.478547 0.406244 0.434776 H 1.480880 -0.548503 1.059934 H 1.430137 1.231311 0.876274 H 0.906786 -0.782880 -1.404472 H 0.921817 0.992895 -1.558047 H 3.018387 -1.265686 -1.455081 H 3.580916 -1.746389 0.183774 H 4.651780 -0.801711 -0.915088 H 4.985786 1.013754 0.613837 H 3.993372 0.259822 1.910146 H 3.592012 1.902777 1.292990 H -0.885116 2.350291 -0.708463 H -3.369784 -1.755872 0.711791 H -3.264769 2.541332 0.048385 H -4.521126 0.473081 0.763180