%chk=000176828.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176828

0 1
 Br   5.529100     -0.7051000      0.5271000    
 O    1.714400      -1.106700     -0.1041000    
 O    3.436800      -1.155400      -1.633300    
 O   -3.730800     -0.5949000     -0.1895000    
 C    3.639200       1.539500      0.2946000    
 C    3.699400      3.5999999E-03  0.4993000    
 C    4.496300       2.229500       1.380600    
 C    4.163900       1.993300      -1.081300    
 C    2.192900       2.054000      0.4657000    
 C    2.968800     -0.8059000     -0.5574000    
 C   0.9114000      -1.896300     -0.9870000    
 C  -0.4251000      -2.137900     -0.3493000    
 C   -1.465000      -1.241900     -0.5701000    
 C  -0.6114000      -3.256000      0.4558000    
 C   -2.707700      -1.467000      2.2200000E-02
 C   -1.853900      -3.481100       1.048000    
 C   -2.902100      -2.586700      0.8313000    
 C   -3.452100      0.7586000     -9.8899998E-02
 C   -2.688300       1.219900      0.9578000    
 C   -3.945400       1.613900      -1.067500    
 C   -2.408400       2.583300       1.049300    
 C   -3.665300       2.977300     -0.9759000    
 C   -2.896700       3.462000      8.2599998E-02
 H    3.315400     -0.2733000       1.488700    
 H    5.569200       2.066500       1.239200    
 H    4.224600       1.879200       2.382800    
 H    4.345700       3.315900       1.364400    
 H    3.558400       1.582300      -1.895900    
 H    5.202500       1.690900      -1.247400    
 H    4.127300       3.085400      -1.172400    
 H    2.147100       3.147200      0.4010000    
 H    1.533000       1.654900     -0.3122000    
 H    1.782100       1.759800       1.438000    
 H    1.412900      -2.851000      -1.189200    
 H   0.7871000      -1.371800      -1.942700    
 H   -1.301500     -0.3860000      -1.220400    
 H   0.1988000      -3.957900      0.6331000    
 H   -2.005200      -4.352400       1.678500    
 H   -3.867700      -2.767000       1.295700    
 H   -2.315900      0.5599000       1.735800    
 H   -4.543600       1.237900      -1.891900    
 H   -1.813800       2.961500       1.875800    
 H   -4.045600       3.661600      -1.728700    
 H   -2.679400       4.523700      0.1543000    


%chk=000176828-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176828

0 1
Br 4.934445 -1.190848 1.260740
O 1.635248 -0.987716 -0.068726
O 3.200127 -0.577655 -1.748598
O -3.947190 -0.730494 0.139659
C 4.241830 1.582993 0.255826
C 3.585672 0.214156 0.588046
C 4.789772 2.210075 1.565382
C 5.373644 1.484743 -0.797330
C 3.093482 2.489347 -0.293068
C 2.840563 -0.475063 -0.554333
C 0.809250 -1.755709 -1.074371
C -0.493823 -2.119832 -0.411303
C -1.576483 -1.207382 -0.438679
C -0.647927 -3.373448 0.230994
C -2.794264 -1.550461 0.189438
C -1.877406 -3.709961 0.841335
C -2.956307 -2.801191 0.826513
C -3.842434 0.685852 0.113829
C -2.881326 1.394853 0.872102
C -4.828509 1.364441 -0.634552
C -2.910431 2.807272 0.862130
C -4.846933 2.776486 -0.630832
C -3.887410 3.503783 0.112404
H 2.904021 0.306867 1.448492
H 5.592108 1.589769 2.001293
H 3.992260 2.327327 2.323935
H 5.207993 3.210504 1.351999
H 5.014675 1.024234 -1.732009
H 6.214918 0.879478 -0.416694
H 5.753309 2.498702 -1.021455
H 3.483053 3.512133 -0.444228
H 2.717230 2.123404 -1.264692
H 2.245502 2.551124 0.415435
H 1.397202 -2.642073 -1.370493
H 0.676910 -1.109810 -1.959952
H -1.471327 -0.244109 -0.949226
H 0.190158 -4.078844 0.254579
H -1.997081 -4.681150 1.332795
H -3.918124 -3.040255 1.289628
H -2.136601 0.856470 1.466675
H -5.561779 0.781097 -1.199311
H -2.172288 3.362509 1.451502
H -5.610380 3.307006 -1.210262
H -3.903947 4.598677 0.111883


