%chk=000174854.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000174854

0 1
 Br  -2.816800      -3.399900       2.707000    
 S    1.945300      -1.784400      0.2884000    
 O  -0.5820000       1.866100       2.191300    
 O    2.895600       1.623100      -1.061000    
 O   -3.844300       1.083400      -2.143300    
 O   -5.293700      0.4453000     -0.5206000    
 O   0.1750000      -1.458900      -2.173600    
 O   -2.526500      -1.960200      -2.313200    
 O    5.358400     -0.8860000     -0.4327000    
 O    7.176400      0.2365000      -1.196300    
 N   0.6463000       1.179200      0.3434000    
 N    4.280000       1.179900      0.7472000    
 N   -5.253100       3.016500      0.4717000    
 C    1.889400      0.9273000       1.034900    
 C   -2.924300       2.299800      0.7133000    
 C   -1.654200       1.800500      2.1299999E-02
 C   -4.078900       2.542800     -0.2650000    
 C    1.973200     -0.5000000       1.581500    
 C  -0.4951000       1.632000      0.9890000    
 C    3.050900       1.292000      0.1127000    
 C   -4.491200       1.258600     -0.9615000    
 C   0.1901000      -2.093300      0.1434000    
 C    5.530500       1.447500      7.5900003E-02
 C  -0.4847000      -1.896400      -1.061400    
 C  -0.5046000      -2.541300       1.266800    
 C   -1.854300      -2.147600      -1.142700    
 C   -1.874300      -2.792500       1.185300    
 C   -2.549100      -2.595600     -1.9300001E-02
 C    6.116300      0.2252000     -0.5826000    
 H    1.939500       1.618400       1.887000    
 H   -3.222500       1.564800       1.473800    
 H   -2.699500       3.230400       1.251200    
 H   -1.832000      0.8300000     -0.4509000    
 H   -1.349400       2.508800     -0.7580000    
 H    1.170900     -0.6673000       2.306900    
 H    2.907500     -0.6425000       2.133800    
 H   -3.808600       3.294100      -1.015400    
 H   0.6079000      0.9961000     -0.6556000    
 H    4.319900      0.9217000       1.728200    
 H   -5.994500       3.256700     -0.1856000    
 H   -5.021900       3.878700      0.9642000    
 H    6.233500       1.806700      0.8328000    
 H    5.374200       2.214500     -0.6884000    
 H   1.4600000E-02  -2.712200       2.207600    
 H   -3.617300      -2.789400     -8.5000001E-02
 H   -4.102700      0.2440000      -2.580300    
 H    1.110100      -1.325000      -1.940700    
 H   -3.464600      -2.179500      -2.179300    
 H    5.760200      -1.666700     -0.8703000    


%chk=000174854-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000174854

0 1
Br -3.939826 -3.551927 2.046529
S 1.553522 -2.422374 0.899098
O -0.065269 2.096307 1.969234
O 2.871362 -0.386136 -1.265236
O -4.839258 2.978427 -2.044658
O -4.282370 0.757137 -1.752129
O 0.335437 -1.207158 -1.749592
O -2.270227 -0.920206 -2.333414
O 6.595372 1.582365 1.109498
O 7.913960 0.790789 -0.640102
N 0.755352 0.951281 0.123590
N 4.337768 0.660745 0.179272
N -5.179234 2.049187 1.004935
C 1.962802 0.517512 0.838325
C -2.745317 1.707087 0.723580
C -1.454600 2.041024 -0.064618
C -4.017239 2.367183 0.156571
C 1.730798 -0.725886 1.757232
C -0.210287 1.702404 0.767421
C 3.082822 0.244953 -0.174677
C -4.336310 1.925002 -1.283000
C -0.215014 -2.370127 0.379298
C 5.493475 0.374118 -0.675842
C -0.565484 -1.768620 -0.857170
C -1.199562 -2.911906 1.244563
C -1.951916 -1.624856 -1.180209
C -2.548472 -2.805961 0.869468
C -2.939862 -2.163447 -0.322531
C 6.795475 0.912200 -0.109234
H 2.237949 1.342713 1.525319
H -2.882278 0.608713 0.763096
H -2.632452 2.067950 1.760795
H -1.432414 1.520241 -1.039792
H -1.420474 3.131234 -0.263810
H 0.826139 -0.557446 2.362281
H 2.594883 -0.862847 2.431424
H -3.888702 3.463404 0.140718
H 0.570382 0.554540 -0.809616
H 4.503112 1.208647 1.027302
H -6.026694 2.595226 0.834757
H -5.343288 1.051852 1.166767
H 5.351199 0.803257 -1.686568
H 5.604518 -0.715843 -0.832479
H -0.899457 -3.386870 2.180957
H -3.995428 -2.071542 -0.594861
H -5.116979 2.651432 -2.944689
H 1.311715 -1.278484 -1.480700
H -3.163328 -0.472211 -2.240152
H 7.459302 1.928817 1.458946


