%chk=000151608.chk %nprocshared=12 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000151608 0 1 Br -2.178600 -1.161800 1.855000 O -1.459600 1.609700 -0.5763000 N -0.8058000 -0.5845000 -0.8780000 C -2.885800 -0.1186000 0.3426000 C -1.657000 0.4055000 -0.4100000 C 0.4033000 -0.2899000 -1.611400 C -3.771600 -1.024100 -0.5091000 C -3.708200 1.030100 0.9302000 C 1.588300 -0.1272000 -0.6971000 C 1.893900 1.128600 -0.1910000 C 2.358900 -1.235200 -0.3731000 C 2.992000 1.279200 0.6559000 C 3.456900 -1.084600 0.4739000 C 3.773300 0.1727000 0.9884000 H 0.2581000 0.6148000 -2.213700 H 0.5706000 -1.114300 -2.313900 H -1.008900 -1.556900 -0.6665000 H -3.234400 -1.906000 -0.8751000 H -4.142100 -0.4852000 -1.388500 H -4.639300 -1.384800 5.5199999E-02 H -4.125800 1.658200 0.1347000 H -4.543700 0.6611000 1.536400 H -3.099200 1.679800 1.570400 H 1.296300 1.998900 -0.4453000 H 2.119700 -2.219100 -0.7668000 H 3.239100 2.258400 1.055700 H 4.065000 -1.946200 0.7332000 H 4.628200 0.2900000 1.647900 %chk=000151608-Freq.chk %nprocshared=12 %mem=21GB #p freq=noraman PBEPBE/SDD 000151608 0 1 Br -2.871603 -1.657734 1.643046 O -1.944688 0.826599 -1.668917 N -0.768645 -0.815726 -0.505029 C -3.122926 -0.176915 0.173611 C -1.871379 -0.036786 -0.734656 C 0.444647 -0.723724 -1.339409 C -4.335266 -0.615431 -0.668385 C -3.367872 1.139455 0.934635 C 1.682680 -0.320008 -0.545521 C 1.690796 0.879783 0.211790 C 2.848645 -1.122970 -0.571084 C 2.843260 1.266823 0.928449 C 4.005980 -0.736324 0.144327 C 4.005945 0.459664 0.896660 H 0.213838 0.023713 -2.121413 H 0.617932 -1.695073 -1.840773 H -0.784743 -1.466654 0.285732 H -4.165660 -1.595146 -1.145000 H -4.493499 0.137666 -1.461769 H -5.239149 -0.677919 -0.040265 H -3.490710 1.948474 0.191357 H -4.282051 1.067600 1.546648 H -2.519906 1.392255 1.592835 H 0.793334 1.509774 0.232871 H 2.853343 -2.053764 -1.152490 H 2.838943 2.197078 1.507656 H 4.901674 -1.366919 0.115991 H 4.900680 0.760807 1.452805