%chk=000104684.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000104684 0 1 Br -5.078200 -3.085100 -1.201400 Br 5.035400 -3.113300 1.197800 Br -2.212600 -0.7202000 3.179300 Br 2.202000 -0.7048000 -3.179900 Br -7.275300 0.5511000 -1.722700 Br 7.281000 0.4924000 1.723600 Br -4.402800 2.910100 2.654600 Br 4.440500 2.895200 -2.650600 Br -6.248900 6.129700 -1.635900 Br 6.329500 6.084300 1.643800 O -4.565300 -1.253700 1.240900 O 4.547200 -1.272200 -1.242200 O -5.738600 0.6655000 0.9739000 O 5.746000 0.6307000 -0.9729000 O -3.734900 0.3906000 -0.1904000 O 3.738900 0.3813000 0.1911000 C -5.9700001E-02 -4.425100 5.4000001E-03 C -1.250000 -3.587900 0.3320000 C 1.200900 -3.562900 -0.3361000 C 0.2081000 -5.400000 1.205300 C -0.2250000 -5.392000 -1.227100 C -1.203900 -2.699000 1.406000 C 1.166800 -2.672200 -1.409000 C -2.409100 -3.693300 -0.4369000 C 2.358500 -3.684800 0.4326000 C -3.522100 -2.909900 -0.1316000 C 3.481900 -2.916000 0.1283000 C -2.317000 -1.915700 1.711300 C 2.290300 -1.903500 -1.713300 C -3.476100 -2.021300 0.9425000 C 3.447800 -2.025400 -0.9446000 C -4.590400 -1.3900000E-02 0.5880000 C 4.588900 -3.3599999E-02 -0.5878000 C -5.857000 1.921800 0.3744000 C 5.881300 1.884700 -0.3717000 C -6.519500 2.052900 -0.8460000 C 6.545400 2.005200 0.8489000 C -5.311400 3.045100 0.9959000 C 5.350700 3.015800 -0.9917000 C -6.636300 3.307000 -1.445100 C 6.679100 3.257100 1.449500 C -5.428200 4.299300 0.3969000 C 5.484400 4.267700 -0.3912000 C -6.090800 4.430300 -0.8236000 C 6.148600 4.388200 0.8295000 H -0.6821000 -6.010600 1.405600 H 0.4382000 -4.871600 2.137700 H 1.029400 -6.096100 0.9960000 H -0.4511000 -4.854600 -2.155500 H -1.026400 -6.121600 -1.058100 H 0.6965000 -5.961100 -1.406100 H -0.3013000 -2.609300 2.006000 H 0.2640000 -2.571300 -2.006500 H -2.479700 -4.374300 -1.278400 H 2.423200 -4.363000 1.275900 H -7.152600 3.411200 -2.397100 H 7.196700 3.353100 2.401600 H -5.003100 5.176600 0.8799000 H 5.071200 5.151100 -0.8731000 %chk=000104684-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000104684 0 1 Br -5.286989 -3.176546 -1.095328 Br 5.264253 -3.214007 1.097558 Br -2.184272 -0.104615 2.746057 Br 2.199612 -0.116110 -2.753691 Br -8.433885 -0.166270 -1.161950 Br 8.438671 -0.222372 1.173183 Br -4.838140 3.259243 1.857965 Br 4.865211 3.225757 -1.847551 Br -8.824251 5.594845 -1.636745 Br 8.859771 5.536184 1.654010 O -4.691915 -1.018688 1.120546 O 4.693694 -1.049787 -1.119122 O -6.185530 0.599797 0.864343 O 6.197853 0.557559 -0.854951 O -4.407514 0.475907 -0.689912 O 4.412354 0.445036 0.691549 C -0.012578 -4.279239 -0.011723 C -1.256761 -3.382506 0.210564 C 1.239198 -3.391771 -0.227206 C 0.121052 -5.199168 1.238516 C -0.153971 -5.189233 -1.268389 C -1.186789 -2.332463 1.163359 C 1.180307 -2.339644 -1.178878 C -2.483790 -3.614937 -0.454109 C 2.461299 -3.633005 0.442735 C -3.610012 -2.816103 -0.172422 C 3.594157 -2.841098 0.167170 C -2.313092 -1.538315 1.436552 C 2.312834 -1.552659 -1.445958 C -3.538926 -1.766778 0.768150 C 3.534334 -1.790336 -0.772346 C -5.015459 0.069010 0.305567 C 5.021542 0.034900 -0.301808 C -6.734490 1.746082 0.237876 C 6.751482 1.700549 -0.226780 C -7.807275 1.606635 -0.673090 C 7.822581 1.554447 0.685171 C -6.295209 3.043587 0.591595 C 6.319359 3.000724 -0.579458 C -8.434330 2.737641 -1.235123 C 8.455135 2.681491 1.248990 C -6.903810 4.190246 0.041285 C 6.933440 4.143512 -0.027194 C -7.967811 4.016152 -0.867133 C 7.995704 3.962842 0.881983 H -0.817683 -5.761432 1.383695 H 0.310668 -4.619236 2.159173 H 0.934553 -5.935983 1.109704 H -0.340958 -4.601608 -2.184668 H -0.972028 -5.921682 -1.143861 H 0.780809 -5.756807 -1.418637 H -0.246080 -2.124572 1.681846 H 0.242986 -2.124998 -1.700718 H -2.578802 -4.413551 -1.192286 H 2.547804 -4.433227 1.180259 H -9.261029 2.618426 -1.938435 H 9.280486 2.557129 1.952986 H -6.555373 5.187173 0.318946 H 6.590606 5.142572 -0.304160