%chk=000059860.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000059860 0 1 Br -3.708300 0.2627000 0.7436000 O -4.6399999E-02 -1.019200 -0.4174000 O -1.889800 -2.299900 5.7500001E-02 N 2.627800 1.3500000E-02 9.6900001E-02 C 0.2580000 0.3887000 -0.4290000 C 1.395000 0.6280000 0.5637000 C -1.030700 1.021200 -9.4999997E-03 C 0.6753000 0.7638000 -1.850400 C -1.961000 9.2600003E-02 0.2152000 C -1.166000 2.502600 0.1138000 C -1.343100 -1.214900 -4.2700000E-02 C 2.458900 -1.433400 -6.1999999E-02 C 3.730200 0.2943000 1.020300 H 1.123500 0.2399000 1.555800 H 1.558200 1.707800 0.6725000 H -0.1739000 0.6660000 -2.538700 H 1.029600 1.798800 -1.908000 H 1.450900 0.1091000 -2.259300 H -0.9237000 2.990700 -0.8351000 H -0.4921000 2.888900 0.8844000 H -2.180400 2.808300 0.3856000 H 1.988800 -1.708100 -1.009900 H 1.950600 -1.905400 0.7870000 H 3.444300 -1.914200 -0.1304000 H 3.876500 1.374900 1.128000 H 4.672200 -0.1089000 0.6321000 H 3.554000 -0.1313000 2.015000 %chk=000059860-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000059860 0 1 Br -3.882395 0.432680 0.649085 O -0.235651 -1.073373 -0.691047 O -2.198535 -2.302560 -0.340269 N 2.591412 -0.180824 0.166994 C 0.197367 0.363074 -0.509400 C 1.307633 0.390541 0.594474 C -1.072279 1.072594 -0.025683 C 0.700917 0.863244 -1.870140 C -2.065053 0.144865 0.084593 C -1.118765 2.542753 0.259627 C -1.601302 -1.216130 -0.310313 C 2.662759 -1.656334 0.261607 C 3.767011 0.482525 0.764825 H 0.886422 -0.110229 1.500844 H 1.474090 1.453292 0.854145 H -0.077407 0.741329 -2.642034 H 0.985227 1.929546 -1.810539 H 1.598973 0.288151 -2.145967 H -0.769147 3.127671 -0.611473 H -0.460070 2.805821 1.110094 H -2.141331 2.867795 0.510320 H 1.803738 -2.106379 -0.258107 H 2.660025 -2.017665 1.319958 H 3.592289 -2.008920 -0.219816 H 3.727677 1.570457 0.576697 H 4.685845 0.091184 0.292301 H 3.858948 0.321393 1.868222