%chk=000289520.chk %nprocshared=4 %mem=3GB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm 000289520 0 1 Br 1.290988 -1.773304 1.623098 O 2.599918 1.419678 0.388053 O -3.220168 -0.527556 -1.620059 O 1.678935 0.041580 -1.160818 C -0.614573 0.229881 0.903033 C 0.857533 0.092194 1.167675 C -1.162533 -0.256205 -0.293441 C -1.426397 0.839299 1.866286 C -2.536866 -0.110911 -0.502670 C 1.714447 0.460544 -0.031534 C -2.804589 0.969858 1.632151 C -3.375130 0.503205 0.454951 C 3.589406 1.916726 -0.573831 C 4.688396 0.892483 -0.752114 C -2.462706 -1.174681 -2.673661 H 1.172421 0.700549 2.057795 H -0.515080 -0.734088 -1.030593 H -1.004385 1.208011 2.797499 H -3.433053 1.444371 2.386998 H -4.439875 0.595103 0.253897 H 3.068218 2.156199 -1.517419 H 3.924440 2.837395 -0.061386 H 5.519039 1.292824 -1.345505 H 5.095315 0.562990 0.213271 H 4.317579 -0.006472 -1.268523 H -2.018043 -2.103544 -2.304052 H -1.705627 -0.492550 -3.072548 H -3.243612 -1.378079 -3.417354 %chk=000289520-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000289520 0 1 Br 1.441819 -1.634204 1.685130 O 2.722963 1.468996 0.405460 O -3.323656 -0.595126 -1.633550 O 1.573275 0.284850 -1.245733 C -0.681886 0.299246 0.887334 C 0.798649 0.280115 1.122895 C -1.253358 -0.188570 -0.318446 C -1.515361 0.819909 1.909860 C -2.654855 -0.145645 -0.488131 C 1.702446 0.641508 -0.052533 C -2.916568 0.857874 1.723694 C -3.491899 0.378617 0.532471 C 3.761348 1.870141 -0.600354 C 4.835501 0.786391 -0.718647 C -2.508684 -1.160257 -2.715308 H 1.089442 0.871535 2.001121 H -0.591161 -0.581139 -1.093392 H -1.072609 1.186167 2.843013 H -3.561467 1.261371 2.511396 H -4.573585 0.395209 0.368242 H 3.258271 2.051872 -1.566267 H 4.159594 2.812196 -0.192109 H 5.634507 1.130556 -1.401134 H 5.287791 0.571144 0.264402 H 4.411214 -0.145693 -1.127633 H -1.954038 -2.054848 -2.372784 H -1.795353 -0.413107 -3.112839 H -3.228345 -1.443610 -3.496959