%chk=000136690.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000136690

0 1
 Br   4.217200       1.440300      2.7999999E-03
 O   -2.747000       1.984400     -1.2000001E-03
 O    1.266900      -2.990900      7.9999998E-04
 O  -0.8651000      -2.467900     -9.9999997E-05
 N   -1.660500     -0.1073000     -9.9999997E-05
 N   0.3450000      -2.142000     -3.0000001E-04
 C  -0.3025000      0.2263000     -1.1000000E-03
 C   0.6841000     -0.7598000     -1.3000000E-03
 C   5.8100000E-02   1.573700     -6.9999998E-04
 C    2.031500     -0.3985000     -1.0000000E-03
 C    1.405300       1.935100     -5.0000002E-04
 C    2.392100      0.9491000     -6.0000003E-04
 C   -2.760500      0.7577000      1.3000000E-03
 C   -4.064400     -1.9999999E-04  2.0000001E-03
 H  -0.6388000       2.398900     -9.9999997E-05
 H    2.819200      -1.148700     -6.0000003E-04
 H   -1.890100      -1.094700       0.000000    
 H    1.670900       2.989300      3.0000001E-04
 H   -4.136700     -0.6125000     -0.9012000    
 H   -4.901700      0.7029000      2.2700001E-02
 H   -4.119700     -0.6429000      0.8851000    


%chk=000136690-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000136690

0 1
Br 4.329814 1.434428 -0.003402
O -2.759784 2.022582 0.002426
O 1.364928 -3.019183 -0.000080
O -0.861057 -2.570684 0.003148
N -1.695801 -0.082746 0.002881
N 0.390977 -2.178535 0.000817
C -0.340264 0.272249 0.001446
C 0.688583 -0.737015 0.000425
C 0.089386 1.634986 0.001003
C 2.065804 -0.395255 -0.001018
C 1.451393 1.970567 -0.000410
C 2.435932 0.951409 -0.001437
C -2.824482 0.761294 0.003198
C -4.140795 -0.005657 -0.000074
H -0.675823 2.413095 0.001895
H 2.800507 -1.203122 -0.001771
H -1.844841 -1.108909 0.003121
H 1.748240 3.023400 -0.000689
H -4.230680 -0.634633 -0.904805
H -4.971205 0.713957 0.019383
H -4.217530 -0.669928 0.880144


