%chk=000068293.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000068293 0 1 Br 2.492200 0.8866000 0.1570000 C -7.1900003E-02 -0.4307000 0.2883000 C -0.7272000 0.8119000 -0.3517000 C 1.349900 -0.6432000 -0.2422000 C -0.8953000 -1.695100 1.6100001E-02 C -2.147900 1.070600 0.1326000 H -2.6799999E-02 -0.2793000 1.374800 H -0.1502000 1.713700 -0.1250000 H -0.7380000 0.7096000 -1.443900 H 1.831100 -1.506900 0.2263000 H 1.370100 -0.7674000 -1.329100 H -0.3832000 -2.581800 0.4057000 H -1.872300 -1.649700 0.5066000 H -1.055300 -1.842200 -1.057400 H -2.189300 1.115700 1.225400 H -2.508100 2.027500 -0.2593000 H -2.839500 0.2966000 -0.2125000 %chk=000068293-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000068293 0 1 Br 2.597537 0.866795 0.378725 C -0.097932 -0.434003 0.255404 C -0.780715 0.790776 -0.406611 C 1.346053 -0.629286 -0.233081 C -0.868571 -1.754424 -0.025606 C -2.162305 1.135480 0.190872 H -0.073460 -0.272633 1.352138 H -0.112998 1.666784 -0.298713 H -0.879861 0.598641 -1.495656 H 1.810415 -1.539146 0.178268 H 1.425498 -0.619224 -1.332883 H -0.395355 -2.615936 0.480848 H -1.907787 -1.682117 0.338946 H -0.904608 -1.969718 -1.110876 H -2.086289 1.317265 1.279704 H -2.573159 2.050658 -0.272851 H -2.898163 0.325988 0.033071