%chk=000117915.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000117915 0 1 Br 3.247700 -1.144400 9.9999997E-05 O -2.535200 0.6235000 0.000000 C 1.119400 0.8001000 1.9999999E-04 C -0.2180000 1.196700 -9.9999997E-05 C -1.230000 0.2368000 -3.0000001E-04 C 1.444700 -0.5562000 3.0000001E-04 C -0.9047000 -1.119600 -3.9999999E-04 C 0.4327000 -1.516100 -9.9999997E-05 C 2.169300 1.864000 -9.9999997E-05 C -3.525900 -0.3848000 3.9999999E-04 H -0.4851000 2.250700 0.000000 H -1.643300 -1.914000 -6.0000003E-04 H 0.6677000 -2.577600 -3.0000001E-04 H 2.795900 1.789400 0.8948000 H 2.795200 1.789600 -0.8955000 H 1.731300 2.868500 1.9999999E-04 H -3.481200 -0.9972000 -0.9068000 H -4.501700 0.1120000 7.9999998E-04 H -3.480500 -0.9973000 0.9075000 %chk=000117915-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000117915 0 1 Br 3.360515 -1.125996 -0.000267 O -2.552911 0.642242 0.000114 C 1.144442 0.821853 -0.000032 C -0.229228 1.155172 0.000032 C -1.237486 0.159942 0.000025 C 1.471521 -0.562449 -0.000112 C -0.883832 -1.211569 -0.000065 C 0.484643 -1.564373 -0.000134 C 2.197464 1.911206 -0.000086 C -3.632936 -0.342633 0.000267 H -0.536691 2.205903 0.000103 H -1.641595 -2.000280 -0.000099 H 0.774522 -2.619474 -0.000217 H 2.853808 1.832044 0.886395 H 2.853177 1.832527 -0.887086 H 1.730584 2.910300 0.000345 H -3.597626 -0.982615 -0.903869 H -4.562748 0.244980 0.000445 H -3.597323 -0.982681 0.904342