%chk=000111901.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000111901 0 1 Br 2.872000 2.097800 -1.9999999E-04 O -2.451000 1.837300 8.9999998E-04 O -3.075600 -0.2673000 0.000000 N 0.8475000 -1.543200 0.000000 N -2.181800 0.6124000 3.0000001E-04 N -1.450000 -2.116800 -1.9999999E-04 C -0.8191000 0.2080000 -3.9999999E-04 C 1.793800 -0.5778000 9.9999997E-05 C -0.4378000 -1.124000 -3.0000001E-04 C 0.1831000 1.171900 -5.0000002E-04 C 1.517100 0.7798000 -3.9999999E-04 C 3.201700 -1.078200 8.9999998E-04 H -5.4200001E-02 2.233400 -6.0000003E-04 H 3.734300 -0.7423000 0.8963000 H 3.225100 -2.173800 1.2000001E-03 H 3.735200 -0.7428000 -0.8941000 H -1.126200 -3.076900 2.2600001E-02 H -2.300900 -1.937400 -0.5183000 %chk=000111901-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000111901 0 1 Br 2.923140 2.139778 0.068545 O -2.475959 1.946899 -0.027325 O -3.184532 -0.223075 -0.080001 N 0.843592 -1.539669 -0.045057 N -2.233612 0.677754 -0.048044 N -1.389210 -2.191844 -0.095026 C -0.850977 0.222535 -0.035349 C 1.829621 -0.608779 -0.010370 C -0.485489 -1.171542 -0.057818 C 0.172058 1.200881 0.001810 C 1.506270 0.789328 0.014419 C 3.248793 -1.116082 0.001661 H -0.116811 2.254592 0.018911 H 3.786054 -0.770084 0.903962 H 3.243738 -2.215332 -0.022432 H 3.814028 -0.731264 -0.867176 H -1.029946 -3.145347 -0.110429 H -2.387558 -1.958648 -0.102980