%chk=000078159.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078159

0 1
 Br  0.3017000      0.5220000       2.666600    
 Br   4.789900      -1.407300      -1.839400    
 Br   3.438200     -0.1210000       3.633200    
 Br   5.705000      -1.078700       1.383300    
 Br  -1.518100      -4.359800       2.275700    
 Br   1.012500       5.244000     -0.5739000    
 Br  -5.033700      -1.957100      -1.578800    
 Br  -4.090200       3.226600       1.124100    
 S    1.556500     -0.7084000      -2.423700    
 O   7.3399998E-02 -0.1535000      -1.994100    
 O    2.220300      0.2876000      -3.237200    
 O    1.454300      -2.101600      -2.801800    
 O   -4.073300      -3.959900      0.5764000    
 O   -1.894700       5.312100      0.4844000    
 C  -0.1379000     -4.0000002E-03 -0.5488000    
 C    1.243600     -0.2360000      6.8700001E-02
 C    2.227500     -0.6358000     -0.8332000    
 C   -1.200100      -1.071500     -0.2441000    
 C  -0.6120000       1.431400     -0.2707000    
 C    1.609200     -7.9499997E-02   1.402500    
 C    3.541700     -0.8877000     -0.4964000    
 C   -2.422700      -1.050900     -0.9161000    
 C   -1.901100       1.659700      0.2122000    
 C  -0.9433000      -2.062500      0.7040000    
 C   0.2457000       2.508200     -0.5004000    
 C    2.932800     -0.3319000       1.785700    
 C    3.891300     -0.7335000      0.8420000    
 C   -1.908000      -3.031500      0.9800000    
 C  -0.1851000       3.810600     -0.2477000    
 C   -3.387400      -2.019900     -0.6402000    
 C   -2.332000       2.962200      0.4650000    
 C   -3.130100      -3.010100      0.3078000    
 C   -1.473900       4.037600      0.2349000    
 H   -2.619400     -0.2994000      -1.678000    
 H   -2.589200      0.8708000      0.4833000    
 H   5.4000001E-03  -2.142100       1.220200    
 H    1.246700       2.341000     -0.8902000    
 H   -3.721200      -4.560400       1.256000    
 H   -1.169900       5.923900      0.2684000    


%chk=000078159-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000078159

0 1
Br 0.462280 0.721241 2.786633
Br 4.658021 -1.875557 -1.786807
Br 3.628053 0.013365 3.652985
Br 5.756799 -1.313181 1.397985
Br -1.576984 -4.404821 2.353092
Br 0.877342 5.461488 -0.722687
Br -4.806954 -2.218747 -1.946603
Br -4.119333 3.404220 1.399381
S 1.479182 -0.903064 -2.520408
O 0.041910 0.198848 -1.965101
O 2.276328 -0.062159 -3.636142
O 1.047680 -2.431834 -2.801982
O -3.993845 -4.118679 0.321446
O -2.020014 5.477682 0.555371
C -0.141666 0.114225 -0.473991
C 1.269074 -0.167541 0.120666
C 2.204270 -0.713486 -0.771158
C -1.132766 -1.025457 -0.186347
C -0.656914 1.532068 -0.171990
C 1.697998 0.024168 1.458429
C 3.514083 -1.085140 -0.444322
C -2.293268 -1.104707 -1.000786
C -1.934862 1.775273 0.380940
C -0.922362 -2.009265 0.805317
C 0.176591 2.628506 -0.508171
C 3.035035 -0.300033 1.835125
C 3.945638 -0.859289 0.890190
C -1.869884 -3.031619 0.976645
C -0.269100 3.932269 -0.265234
C -3.229021 -2.131765 -0.816138
C -2.366452 3.090835 0.618070
C -3.042318 -3.126070 0.182890
C -1.545694 4.205213 0.301930
H -2.442247 -0.373427 -1.799496
H -2.586672 0.942012 0.652734
H -0.034261 -1.998166 1.439764
H 1.152300 2.460405 -0.971175
H -3.733186 -4.757183 1.039233
H -1.352381 6.163073 0.279412


