%chk=000110014.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000110014 0 1 Br 1.772900 2.116300 -1.524700 Br 2.282100 -2.726800 1.332200 Br -1.444200 1.868000 1.031300 Br 5.588900 -2.222900 1.717300 Br 5.068700 2.724200 -1.201700 Br 6.976100 0.5284000 0.4350000 Br -4.470200 2.068400 2.515200 Br -6.389100 -1.784400 -1.372800 Br -6.989600 0.2155000 1.305100 O 1.012300 -0.4763000 -0.2051000 O -1.514500 -8.3300002E-02 -1.303500 C 0.6048000 -1.200200 -1.359900 C -0.9019000 -1.370100 -1.331300 C 2.355800 -0.2499000 -6.1099999E-02 C -2.727900 1.0900000E-02 -0.6874000 C 2.927900 0.9009000 -0.5992000 C 3.145900 -1.171600 0.6232000 C -2.937000 0.8457000 0.4103000 C -3.778100 -0.7576000 -1.189300 C 4.513700 -0.9412000 0.7700000 C 4.295700 1.131200 -0.4525000 C 5.088800 0.2103000 0.2321000 C -4.196600 0.9122000 1.006100 C -5.037600 -0.6914000 -0.5935000 C -5.246900 0.1435000 0.5042000 H 0.8902000 -0.6484000 -2.262300 H 1.085900 -2.183500 -1.395000 H -1.181300 -1.941300 -0.4366000 H -1.234800 -1.911700 -2.222900 H -3.612900 -1.397800 -2.053000 %chk=000110014-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000110014 0 1 Br 1.717989 2.159164 0.068379 Br 2.895555 -3.442677 -0.034416 Br -2.323841 2.917569 -0.321067 Br 6.244838 -2.803599 0.082373 Br 5.050629 2.917609 0.185002 Br 7.309400 0.402587 0.186847 Br -5.632007 3.182675 0.472494 Br -6.026135 -2.662722 0.058252 Br -7.526615 0.369384 0.673468 O 1.259326 -0.856203 0.025746 O -1.517770 0.071685 -0.754959 C 0.589733 -0.972410 -1.300058 C -0.881872 -1.229104 -1.036098 C 2.626845 -0.569003 -0.006281 C -2.870197 0.081095 -0.435612 C 3.076282 0.777959 0.047511 C 3.578119 -1.622870 0.002934 C -3.462573 1.353015 -0.186953 C -3.664874 -1.084153 -0.353003 C 4.965979 -1.343161 0.062822 C 4.462112 1.070247 0.106208 C 5.409835 0.008300 0.109816 C -4.837064 1.440952 0.139971 C -5.030688 -0.986505 -0.026179 C -5.641141 0.263999 0.225519 H 0.727550 -0.038010 -1.874617 H 1.028852 -1.827431 -1.849768 H -0.991951 -1.909076 -0.169095 H -1.354173 -1.682281 -1.931309 H -3.235042 -2.069936 -0.537727