%chk=000071530.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071530

1 1
 Br  -6.564500      0.8878000     -0.4071000    
 O  -0.4302000     -0.5948000     -1.7400000E-02
 O   -1.877400      -2.114300     -0.9427000    
 O   -3.946800     -0.3259000     -0.4985000    
 N    3.749600      0.3530000      6.4000003E-02
 C    2.452200     -0.2158000     -0.3759000    
 C    3.553400       1.306600       1.250900    
 C    4.414700       1.139500      -1.074300    
 C    1.809800     -0.9532000      0.7933000    
 C    4.713200     -0.7595000      0.5010000    
 C   0.4842000      -1.607200      0.3939000    
 C    2.606000       2.415400      0.8478000    
 C    4.693700      0.2035000      -2.230000    
 C  -0.1246000      -2.376800       1.558500    
 C   -1.668500      -1.024400     -0.4200000    
 C   -2.692000     -1.5200000E-02 -0.1439000    
 C   -2.581700       1.205100      0.4202000    
 C   -3.899000       1.722600      0.4247000    
 C   -4.692100      0.7536000     -0.1446000    
 H    1.816400      0.5657000     -0.8022000    
 H    2.637600     -0.9499000      -1.166900    
 H    4.538900       1.722700       1.494100    
 H    3.215400      0.7542000       2.131500    
 H    5.335800       1.591800     -0.6911000    
 H    3.733000       1.918900      -1.422100    
 H    1.572700     -0.2656000       1.610400    
 H    2.460200      -1.739900       1.186900    
 H    4.634500      -1.606900     -0.1855000    
 H    5.730700     -0.3558000      0.5121000    
 H    4.458100      -1.078900       1.515800    
 H   0.6672000      -2.291200     -0.4447000    
 H    1.599000       2.073000      0.5995000    
 H    2.980400       3.058300      4.8900001E-02
 H    2.480100       3.079700       1.712300    
 H    3.788100     -0.1877000      -2.700400    
 H    5.357100     -0.6272000      -1.978100    
 H    5.210500      0.7701000      -3.014400    
 H   -1.009900      -2.948300       1.264600    
 H  -0.4383000      -1.695200       2.357300    
 H   0.5950000      -3.089300       1.975400    
 H   -1.689200       1.689500      0.7899000    
 H   -4.220900       2.684400      0.7988000    


%chk=000071530-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000071530

1 1
Br -4.758928 1.767977 -3.149358
O -0.595813 -0.775591 0.965213
O -0.275701 -1.047687 -1.351747
O -2.659424 0.485923 -1.778965
N 3.626690 0.321583 -0.046361
C 2.183319 -0.221560 0.070971
C 4.030610 1.164990 1.193673
C 3.723279 1.211994 -1.319441
C 1.862410 -0.987264 1.366409
C 4.617797 -0.833233 -0.158920
C 0.514479 -1.747021 1.245844
C 3.153631 2.390237 1.474326
C 3.455409 0.494696 -2.648025
C 0.129653 -2.464226 2.540924
C -0.965282 -0.611338 -0.393502
C -2.215474 0.126735 -0.479684
C -3.144443 0.564543 0.466305
C -4.208350 1.217032 -0.242845
C -3.874474 1.146538 -1.593576
H 1.516167 0.648958 -0.034683
H 2.015731 -0.867576 -0.803721
H 5.080458 1.462617 1.022191
H 4.011617 0.470765 2.050126
H 4.739562 1.645205 -1.301918
H 2.995219 2.026120 -1.175174
H 1.804056 -0.306097 2.235498
H 2.631189 -1.752533 1.586797
H 4.285119 -1.529319 -0.941238
H 5.610416 -0.430198 -0.413885
H 4.676106 -1.361116 0.803865
H 0.561370 -2.450382 0.392247
H 2.093307 2.131126 1.632762
H 3.221661 3.161572 0.690547
H 3.515812 2.852545 2.409513
H 2.434472 0.085095 -2.720340
H 4.185080 -0.302166 -2.866365
H 3.554479 1.245356 -3.452240
H -0.831789 -2.988280 2.416103
H 0.027966 -1.750062 3.376440
H 0.895329 -3.214156 2.809827
H -3.067381 0.417996 1.541154
H -5.102934 1.672603 0.173253


