%chk=000113923.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000113923 0 1 Br 3.197700 1.759700 0.1359000 O 0.6303000 0.7563000 0.2327000 O -1.825800 0.8567000 -1.146100 O -4.095500 -0.1461000 0.1448000 C -1.741700 0.3156000 0.1743000 C -0.3480000 -0.2683000 0.3757000 C -2.818600 -0.7524000 0.3142000 C 1.952900 0.2811000 0.4532000 C 2.294900 -0.7992000 -0.5225000 C 2.753800 -2.003400 -0.1623000 H -1.911800 1.148800 0.8655000 H -0.1901000 -1.045200 -0.3805000 H -0.2678000 -0.7141000 1.374200 H -2.788000 -1.234200 1.296300 H -2.719800 -1.519100 -0.4608000 H 2.084700 -9.3999999E-03 1.500700 H -2.723100 1.215000 -1.257100 H 2.153600 -0.5969000 -1.582000 H -4.198900 0.5192000 0.8465000 H 2.981200 -2.751700 -0.9134000 H 2.908800 -2.262500 0.8792000 %chk=000113923-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000113923 0 1 Br 1.755534 -0.652781 2.494870 O 0.314144 -0.384026 -0.066294 O -3.188904 -1.481821 -0.013692 O -3.731012 1.259053 0.220014 C -2.093700 -0.525252 -0.195902 C -0.837294 -1.250170 0.287098 C -2.388516 0.761453 0.596432 C 1.571572 -0.852272 0.334054 C 2.658593 -0.034614 -0.267042 C 3.823481 -0.566383 -0.716136 H -1.978421 -0.272547 -1.274068 H -0.742803 -2.228371 -0.222038 H -0.857536 -1.400522 1.382989 H -1.602433 1.522384 0.434679 H -2.468481 0.536184 1.672872 H 1.699847 -1.945786 0.255726 H -4.026050 -0.943341 0.015334 H 2.456393 1.041460 -0.327100 H -3.675197 1.741647 -0.643222 H 4.602430 0.065436 -1.154109 H 4.037155 -1.639831 -0.645964