%chk=000107375.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000107375 0 1 Br -4.881000 -0.3839000 -4.0100001E-02 O 1.830300 -0.9974000 -0.3756000 O 3.806100 0.1623000 0.1407000 O -0.8362000 -0.2018000 0.2859000 O -2.417200 1.264800 -0.5241000 C 1.522700 0.1533000 0.4148000 C 2.698800 1.063400 0.1555000 C 0.1884000 0.7405000 7.3000002E-03 C 3.260000 -1.061000 -0.3627000 C -2.115200 0.1875000 -3.0999999E-02 C -3.056500 -0.9277000 0.3295000 H 1.499600 -0.1785000 1.460500 H 2.644600 1.547900 -0.8260000 H 2.835000 1.825300 0.9274000 H 0.1829000 0.9535000 -1.068500 H -1.4000000E-03 1.665400 0.5639000 H 3.620200 -1.231000 -1.381700 H 3.583800 -1.887800 0.2766000 H -3.001300 -1.148600 1.397200 H -2.855500 -1.812300 -0.2780000 %chk=000107375-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000107375 0 1 Br -4.362515 -0.018008 -0.153393 O 1.548730 -1.006726 0.447693 O 3.431572 0.018823 -0.476729 O -0.977482 0.414728 0.638351 O -1.000050 -0.587066 -1.480230 C 1.477764 0.399196 0.904922 C 2.825169 1.030363 0.421395 C 0.272762 1.131892 0.289973 C 2.371667 -0.956013 -0.762913 C -1.487466 -0.443500 -0.338486 C -2.717629 -1.152913 0.186620 H 1.383444 0.352412 2.001052 H 2.661574 1.975502 -0.134379 H 3.534895 1.202172 1.245967 H 0.356067 1.200905 -0.809418 H 0.162132 2.137043 0.730531 H 1.760293 -0.635507 -1.632427 H 2.830265 -1.942676 -0.916809 H -2.676499 -1.299757 1.273503 H -2.886592 -2.086970 -0.363621