%chk=000152509.chk %nprocshared=12 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000152509 0 1 Br -0.3499000 2.924400 -0.3482000 O 1.005800 -0.3521000 2.0400001E-02 O 0.1453000 -0.9692000 2.064400 N 4.688700 -0.1755000 -7.7600002E-02 C -1.314000 -0.4981000 0.2387000 C -1.999300 0.7169000 0.2488000 C 3.319700 -0.1021000 -0.5657000 C 2.336300 -0.4539000 0.5391000 C -1.5500000E-02 -0.6361000 0.8841000 C -1.871400 -1.607800 -0.3967000 C -3.241700 0.8220000 -0.3766000 C -1.426100 1.920800 0.9228000 C -3.113900 -1.502500 -1.022000 C -3.799100 -0.2878000 -1.011800 C 5.635300 0.2009000 -1.119500 H 3.168800 -0.7820000 -1.413700 H 3.092600 0.9075000 -0.9311000 H 2.445100 0.2392000 1.382100 H 2.506000 -1.478700 0.8909000 H -1.347100 -2.560000 -0.4114000 H -3.787200 1.762100 -0.3779000 H -0.7903000 1.682100 1.779200 H -2.209500 2.600300 1.273900 H 4.890600 -1.124000 0.2374000 H -3.547800 -2.366500 -1.516800 H -4.766300 -0.2058000 -1.498900 H 6.654000 0.1433000 -0.7238000 H 5.469600 1.230700 -1.452600 H 5.570600 -0.4703000 -1.982100 %chk=000152509-Freq.chk %nprocshared=12 %mem=21GB #p freq=noraman PBEPBE/SDD 000152509 0 1 Br -2.118759 3.645997 0.883317 O 1.156328 -0.143332 -0.149702 O 0.375869 0.831963 1.804952 N 4.869907 -0.448089 -0.212837 C -1.218160 0.066225 0.085741 C -2.393381 0.726004 0.573550 C 3.479045 -0.555665 -0.691513 C 2.543514 0.044867 0.361864 C 0.132421 0.309854 0.687096 C -1.331707 -0.869957 -0.977200 C -3.641877 0.409716 -0.023323 C -2.377076 1.753365 1.668840 C -2.582396 -1.170371 -1.551850 C -3.746329 -0.528773 -1.069842 C 5.904141 -0.709300 -1.230752 H 3.155654 -1.599935 -0.924832 H 3.388334 0.026023 -1.627658 H 2.737116 1.120921 0.507475 H 2.632256 -0.460664 1.342482 H -0.423833 -1.357937 -1.340279 H -4.539858 0.925181 0.337036 H -1.533308 1.652694 2.360423 H -3.343424 1.829126 2.186343 H 5.025156 -0.987655 0.648326 H -2.648811 -1.897651 -2.367839 H -4.724554 -0.754510 -1.507846 H 6.904267 -0.616354 -0.772246 H 5.833446 0.050614 -2.030705 H 5.835318 -1.714557 -1.713624