%chk=000289582.chk %nprocshared=4 %mem=3GB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm 000289582 0 1 Br 1.613579 2.388314 0.243768 O 0.798069 -0.286590 -1.212520 O 0.791928 -0.522026 1.140195 C 1.670809 -0.480037 -0.041535 C -0.494154 -0.125114 -0.728909 C -0.497836 -0.267366 0.691521 C 2.603677 0.717060 0.081096 C 2.360921 -1.815372 -0.173560 C -1.643993 0.123876 -1.442723 C -1.651533 -0.164345 1.434529 C -2.832975 0.229611 -0.681465 C -2.836598 0.090897 0.703207 H 3.252243 0.804931 -0.811103 H 3.245346 0.626775 0.978057 H 2.984764 -1.865580 -1.075824 H 2.986848 -2.040541 0.700039 H 1.620743 -2.628619 -0.252828 H -1.644472 0.237033 -2.522015 H -1.657692 -0.267539 2.514801 H -3.766414 0.427846 -1.207169 H -3.772859 0.181387 1.252937 %chk=000289582-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000289582 0 1 Br 2.011785 2.542780 0.260982 O 0.810756 -0.119131 -1.215119 O 0.805519 -0.356582 1.175156 C 1.692133 -0.390348 -0.033041 C -0.513694 -0.068462 -0.714948 C -0.517003 -0.209121 0.689015 C 2.768009 0.690386 0.078192 C 2.290293 -1.794698 -0.171497 C -1.691113 0.106149 -1.445127 C -1.698272 -0.182414 1.433271 C -2.905289 0.132795 -0.702708 C -2.908736 -0.008486 0.704698 H 3.389645 0.706513 -0.829518 H 3.382315 0.525927 0.976099 H 2.909269 -1.863709 -1.082171 H 2.906973 -2.040960 0.709574 H 1.470952 -2.528543 -0.245321 H -1.675142 0.221469 -2.531917 H -1.688074 -0.284520 2.521443 H -3.851886 0.267524 -1.235999 H -3.858040 0.018031 1.249434