%chk=000037059.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000037059 0 1 Br -4.404300 1.763800 0.4525000 S -1.306100 0.5915000 0.9175000 S -0.8544000 -1.373100 -1.299100 C -2.701700 -0.5074000 0.5240000 C -0.2874000 0.1875000 -0.5413000 C -2.103800 -1.786300 -4.9500000E-02 C 1.190900 0.1714000 -0.2243000 C -3.685700 0.1859000 -0.4156000 C 2.051700 1.074300 -0.8517000 C 1.699900 -0.7466000 0.6966000 C 3.415600 1.059100 -0.5594000 C 3.063700 -0.7616000 0.9892000 C 3.921600 0.1414000 0.3612000 H -3.213700 -0.7485000 1.463300 H -0.4910000 0.9706000 -1.279700 H -1.616700 -2.373300 0.7378000 H -2.873900 -2.422100 -0.4979000 H -4.540600 -0.4591000 -0.6389000 H -3.241100 0.5194000 -1.357600 H 1.673400 1.795700 -1.571100 H 1.052500 -1.460400 1.199400 H 4.083700 1.762100 -1.048400 H 3.457800 -1.476200 1.705800 H 4.983400 0.1298000 0.5889000 %chk=000037059-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000037059 0 1 Br -4.532136 1.883864 0.243295 S -1.260174 0.509223 1.070432 S -0.895699 -1.541112 -1.234608 C -2.787434 -0.485140 0.555733 C -0.259058 0.128528 -0.506776 C -2.256586 -1.841310 0.048578 C 1.223911 0.131362 -0.211324 C -3.664466 0.212276 -0.489758 C 2.047797 1.119840 -0.805215 C 1.809160 -0.826543 0.656267 C 3.435665 1.154533 -0.536021 C 3.192671 -0.793711 0.923909 C 4.011256 0.197838 0.329203 H -3.356450 -0.632124 1.491922 H -0.506820 0.894358 -1.257838 H -1.840103 -2.422872 0.885279 H -3.040678 -2.427985 -0.462057 H -4.511782 -0.428191 -0.787125 H -3.097544 0.528156 -1.377386 H 1.602820 1.865210 -1.476024 H 1.174209 -1.595896 1.108719 H 4.061913 1.924399 -1.000085 H 3.636789 -1.538240 1.594056 H 5.086539 0.221438 0.538521