%chk=000289617.chk %nprocshared=4 %mem=3GB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm 000289617 0 1 Br 1.531765 -2.956685 -0.659323 O 3.051037 1.368837 -0.564200 O -4.178522 0.866595 0.316808 O 3.806381 0.021971 1.090525 O -3.597600 -1.075274 -0.693351 C 1.548859 -0.258750 0.233934 C 0.532207 0.427036 -0.316586 C 1.445574 -1.633179 0.793288 C 2.914018 0.340171 0.341052 C -0.825545 -0.106824 -0.462642 C -1.908338 0.546438 -0.024440 C -3.260503 -0.024084 -0.199593 C 4.336601 2.049493 -0.578876 C -5.576039 0.477975 0.231513 H 0.688153 1.443287 -0.710550 H 0.494607 -1.805175 1.332035 H 2.278936 -1.868964 1.491725 H -0.903033 -1.084228 -0.969194 H -1.870669 1.514702 0.482824 H 5.136942 1.324175 -0.760683 H 4.486798 2.562351 0.376013 H 4.222050 2.751039 -1.412088 H -5.861815 0.366800 -0.819283 H -6.086284 1.320948 0.709287 H -5.731580 -0.458855 0.776006 %chk=000289617-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000289617 0 1 Br 1.641620 -3.030677 -1.078655 O 2.929215 1.546754 -0.357479 O -4.269785 1.057138 -0.173873 O 4.082357 -0.329319 0.404797 O -3.631565 -1.139992 0.315300 C 1.650531 -0.402692 0.250369 C 0.499189 0.337326 0.064040 C 1.676516 -1.852307 0.613202 C 2.997107 0.235773 0.118457 C -0.851596 -0.180476 0.148129 C -1.957371 0.612536 -0.032215 C -3.323067 0.051716 0.061560 C 4.232503 2.238181 -0.502978 C -5.685725 0.625216 -0.110323 H 0.618173 1.401022 -0.176474 H 0.805915 -2.192624 1.187879 H 2.622791 -2.133897 1.093777 H -1.018615 -1.247185 0.347541 H -1.875445 1.682928 -0.251178 H 4.888398 1.671461 -1.184442 H 4.725426 2.333000 0.479162 H 3.981671 3.223695 -0.918888 H -5.883278 -0.145460 -0.874427 H -6.267289 1.536624 -0.305428 H -5.913673 0.211059 0.886349