%chk=000178698.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178698

0 1
 Br  -3.495300      -1.318600       2.228000    
 O   -1.900700      -2.052100      -1.488800    
 O   -5.307600      6.0600001E-02 -3.1999999E-03
 O   -3.492400       2.183000     -0.9295000    
 O    5.436900      -1.307200     -6.2700003E-02
 C   -1.033900     -0.3015000     -4.6100002E-02
 C   -1.900500      -1.554800     -0.1456000    
 C   -3.935400     -9.6100003E-02 -0.3609000    
 C   -3.150100       1.161700      1.3100000E-02
 C   -3.359400      -1.357200      0.2673000    
 C   -1.647300      0.9724000      2.0900000E-02
 C   0.3961000     -0.4138000     -4.3499999E-02
 C    1.179600      0.7696000      7.5800002E-02
 C    2.578400      0.6661000      8.7399997E-02
 C  -0.8434000       2.111800      0.1529000    
 C    3.588400       1.772700      0.2059000    
 C    3.189000     -0.5756000     -2.2700001E-02
 C   0.5433000       2.013500      0.1797000    
 C    1.088800      -1.655600     -0.1572000    
 C    4.952700       1.066300      0.1621000    
 C    2.481300      -1.747700     -0.1473000    
 C    4.631300     -0.3976000      1.4300000E-02
 H   -1.470200      -2.338300      0.4894000    
 H   -3.929800     -0.2118000      -1.452500    
 H   -3.457600       1.529600      0.9999000    
 H   -3.973100      -2.221400     -1.2700000E-02
 H   -1.296400       3.097200      0.2384000    
 H    3.496300       2.477500     -0.6271000    
 H    3.468400       2.313700       1.150300    
 H    1.118700       2.931300      0.2792000    
 H   0.5415000      -2.589600     -0.2644000    
 H    5.510600       1.232200       1.088400    
 H    5.543400       1.405800     -0.6938000    
 H    2.973500      -2.709300     -0.2364000    
 H   -2.369100      -2.904400      -1.486800    
 H   -5.354200      0.1186000      0.9664000    
 H   -4.456100       2.307400     -0.8861000    


%chk=000178698-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178698

0 1
Br -3.738781 -1.410311 2.243871
O -1.804760 -2.020593 -1.502773
O -5.379109 0.122711 -0.220782
O -3.555434 2.360053 -0.603673
O 5.532311 -1.387556 -0.026701
C -1.063514 -0.287946 0.006666
C -1.900170 -1.556666 -0.087505
C -3.933403 -0.062239 -0.385629
C -3.171197 1.160426 0.149565
C -3.401306 -1.364430 0.205778
C -1.663456 0.984381 0.068835
C 0.377057 -0.403322 -0.005857
C 1.180347 0.804571 0.062694
C 2.606520 0.679001 0.067140
C -0.858467 2.165673 0.109471
C 3.644237 1.794004 0.135658
C 3.208936 -0.583933 0.000935
C 0.529691 2.078964 0.111454
C 1.044360 -1.680055 -0.089255
C 5.013898 1.055286 0.109336
C 2.433422 -1.779275 -0.081353
C 4.688690 -0.452276 0.020145
H -1.504318 -2.336669 0.591952
H -3.785964 -0.121996 -1.480219
H -3.455657 1.293985 1.219292
H -3.989551 -2.231358 -0.134382
H -1.367102 3.133503 0.121141
H 3.537723 2.491087 -0.717026
H 3.520520 2.399099 1.053670
H 1.136414 2.990258 0.146240
H 0.448282 -2.591285 -0.184218
H 5.618295 1.243172 1.014952
H 5.638929 1.343524 -0.754878
H 2.942931 -2.746228 -0.144550
H -2.034150 -2.986257 -1.545741
H -5.602859 -0.013256 0.739425
H -4.547666 2.354353 -0.661579


