%chk=000051764.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051764

0 1
 Br  -5.282300      -1.787400       1.022800    
 Br  -3.614600       3.491300     -0.1432000    
 O   5.7200000E-02 -0.9837000      -1.522300    
 O  -0.9026000       2.056300     -0.6064000    
 O   -2.308200      -2.393400      0.3787000    
 N    4.325400     -0.3072000      0.2770000    
 N   0.6172000     -0.6876000      0.7098000    
 C    2.901600      5.6200001E-02  0.2880000    
 C    2.839200       1.136400       1.369900    
 C    4.241800       1.732000       1.425200    
 C    5.040900      0.9668000      0.3835000    
 C    1.980500      -1.115200      0.6052000    
 C    4.723800      -1.045600     -0.9153000    
 C    6.212600      -1.324500     -0.9236000    
 C  -0.2499000     -0.6553000     -0.3794000    
 C   -1.625200     -0.1616000     -0.1108000    
 C   -1.890400       1.188200     -0.2393000    
 C   -2.602500      -1.065800      0.2593000    
 C   -3.894000     -0.6023000      0.5108000    
 C   -3.181900       1.651900      1.1900000E-02
 C   -4.183700      0.7566000      0.3870000    
 C  -0.7358000       2.291200      -2.001800    
 C   -2.469000      -3.197300     -0.7868000    
 H    2.613000      0.5117000     -0.6706000    
 H    2.095200       1.902000       1.123500    
 H    2.581700      0.7266000       2.354200    
 H    4.666300       1.586000       2.425500    
 H    4.234800       2.806700       1.217400    
 H    6.077300      0.8472000      0.7147000    
 H    5.033900       1.519800     -0.5649000    
 H    2.047800      -1.886800     -0.1691000    
 H    2.247800      -1.581000       1.560600    
 H    4.450900     -0.5097000      -1.833300    
 H    4.204200      -2.009900     -0.9392000    
 H   0.2776000     -0.3863000       1.618900    
 H    6.805900     -0.4183000      -1.080200    
 H    6.538100      -1.798900      8.6000003E-03
 H    6.455700      -2.010100      -1.742800    
 H   -5.190800       1.118200      0.5832000    
 H   -1.688000       2.260300      -2.542200    
 H  -0.2948000       3.283700      -2.130600    
 H  -4.9400002E-02   1.552100      -2.423500    
 H   -1.577200      -3.128500      -1.415600    
 H   -3.351500      -2.907000      -1.366400    
 H   -2.588000      -4.237200     -0.4701000    


%chk=000051764-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051764

0 1
Br -5.464745 -2.326771 -0.121570
Br -3.977945 3.251994 0.239784
O 0.197887 -1.588777 -0.831805
O -1.105010 2.014769 0.393418
O -2.357500 -2.704296 0.089244
N 4.253991 -0.190454 0.024930
N 0.575917 -0.190303 0.987754
C 2.875316 0.382075 0.092835
C 3.066769 1.852480 0.573042
C 4.521031 1.894903 1.113482
C 5.245825 0.901083 0.183771
C 2.016146 -0.491922 1.051163
C 4.483644 -1.138540 -1.085070
C 5.761680 -1.976375 -0.896375
C -0.235179 -0.758674 0.032093
C -1.698582 -0.346911 0.074302
C -2.082595 1.021349 0.167543
C -2.703240 -1.357880 -0.014635
C -4.067473 -0.964636 -0.053626
C -3.451743 1.374754 0.115715
C -4.450785 0.389481 0.004289
C -0.522093 2.608164 -0.834440
C -2.193040 -3.467244 -1.177243
H 2.380308 0.359124 -0.904769
H 2.967180 2.547135 -0.282127
H 2.318423 2.150259 1.330102
H 4.561733 1.528090 2.155151
H 4.961654 2.906135 1.084313
H 6.188375 0.522693 0.617908
H 5.492552 1.391894 -0.793184
H 2.151951 -1.551516 0.776739
H 2.366790 -0.354946 2.089473
H 4.533494 -0.602109 -2.068988
H 3.609299 -1.814121 -1.138765
H 0.191282 0.576856 1.544767
H 6.668270 -1.344307 -0.896941
H 5.722538 -2.521524 0.063277
H 5.864527 -2.711152 -1.715814
H -5.506299 0.669976 -0.019652
H -1.311846 3.086077 -1.441542
H 0.193378 3.365472 -0.481803
H 0.000646 1.833949 -1.427215
H -1.301455 -3.088778 -1.703212
H -3.103073 -3.387216 -1.800235
H -2.047403 -4.509661 -0.857781


