%chk=000289522.chk %nprocshared=4 %mem=7GB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm 000289522 0 1 Br -1.879378 1.942190 1.347802 O 3.463792 -0.597167 0.890974 O -2.914101 -1.483187 0.525932 O -2.741068 -0.037918 -1.212352 C 0.050857 0.251864 0.094483 C -1.283989 0.156414 0.776175 C 1.184501 -0.207983 0.766233 C 0.158848 0.804262 -1.194009 C 2.433733 -0.106178 0.120245 C 1.407022 0.891589 -1.809344 C 2.562714 0.437980 -1.163442 C -2.367161 -0.402874 -0.128253 C 4.804357 -0.539526 0.346072 C -3.995865 -2.178937 -0.152569 H -1.221394 -0.456528 1.715968 H 1.138002 -0.632949 1.766354 H -0.737646 1.162481 -1.707238 H 1.486345 1.320782 -2.809316 H 3.525658 0.514282 -1.655772 H 5.098774 0.498901 0.169270 H 4.872268 -1.145561 -0.561748 H 5.394605 -0.982154 1.159553 H -3.629040 -2.592121 -1.097319 H -4.825742 -1.486211 -0.325532 H -4.258692 -2.963651 0.565034 %chk=000289522-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000289522 0 1 Br -1.912521 1.757918 1.551128 O 3.601103 -0.526900 0.939962 O -3.093296 -1.516833 0.568042 O -2.728622 -0.136896 -1.271085 C 0.082743 0.143501 0.043786 C -1.240708 -0.041836 0.728734 C 1.247386 -0.248069 0.744772 C 0.197152 0.696810 -1.262764 C 2.523421 -0.098363 0.150986 C 1.471974 0.842308 -1.839989 C 2.643731 0.450522 -1.149099 C -2.404712 -0.525572 -0.128225 C 4.948372 -0.385274 0.382226 C -4.289936 -2.067597 -0.120234 H -1.163040 -0.673914 1.623549 H 1.189036 -0.666677 1.755118 H -0.702691 1.000086 -1.803491 H 1.564579 1.268352 -2.844936 H 3.621315 0.576777 -1.623199 H 5.187776 0.675271 0.173309 H 5.066655 -0.982764 -0.542443 H 5.622422 -0.770854 1.160810 H -3.998076 -2.518690 -1.082841 H -5.020665 -1.261958 -0.299962 H -4.685999 -2.821551 0.573047