%chk=000081361.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000081361 0 1 Br -2.881300 1.997300 -0.1049000 O -2.138000 -1.971100 -0.9785000 O 3.711600 0.4707000 7.8999996E-03 O -3.008500 -1.108900 0.9360000 O 2.997000 -1.684000 0.1218000 C -0.9990000 -0.1867000 2.1900000E-02 C 1.400600 9.4999999E-02 1.8600000E-02 C 0.2821000 -0.7375000 5.7900000E-02 C -1.161500 1.196600 -5.3100001E-02 C 1.237900 1.478300 -5.6699999E-02 C -4.3099999E-02 2.029100 -9.2699997E-02 C -2.134200 -1.100600 6.6200003E-02 C 2.736600 -0.4782000 5.5700000E-02 H 0.4055000 -1.816600 0.1211000 H 2.080700 2.163100 -8.9500003E-02 H -0.1502000 3.109300 -0.1513000 H -2.904500 -2.582300 -0.9419000 H 4.608500 7.4000001E-02 3.2900002E-02 %chk=000081361-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000081361 0 1 Br -2.901228 2.218303 0.047488 O -1.803498 -2.409805 -0.196063 O 3.776812 0.421062 -0.001274 O -3.442625 -0.774996 -0.184774 O 2.946301 -1.745487 -0.140229 C -1.062024 -0.134301 -0.082941 C 1.393908 0.139201 -0.040965 C 0.248389 -0.681809 -0.101975 C -1.190493 1.284409 0.002983 C 1.244177 1.546462 0.043075 C -0.043444 2.110511 0.065352 C -2.227619 -1.068826 -0.156497 C 2.731307 -0.512963 -0.067616 H 0.369008 -1.766094 -0.165742 H 2.130937 2.183803 0.090092 H -0.167408 3.194644 0.130895 H -2.607259 -2.992977 -0.247816 H 4.644958 -0.063635 -0.022591