%chk=000054942.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054942

0 1
 Br  -3.635300       3.471900     -0.1506000    
 Cl  -5.149600      -1.706500      0.9948000    
 O   5.3700000E-02 -0.9934000      -1.516800    
 O  -0.9176000       2.046700     -0.6125000    
 O   -2.306500      -2.406000      0.3941000    
 N    4.322100     -0.2941000      0.2734000    
 N   0.6160000     -0.6867000      0.7133000    
 C    2.896900      6.4000003E-02  0.2852000    
 C    2.832100       1.148100       1.363000    
 C    4.232500       1.749100       1.414000    
 C    5.032900      0.9829000      0.3739000    
 C    1.980700      -1.109600      0.6082000    
 C    4.721400      -1.035600     -0.9167000    
 C    6.211200      -1.308900     -0.9262000    
 C  -0.2529000     -0.6618000     -0.3747000    
 C   -1.629700     -0.1723000     -0.1059000    
 C   -1.900900       1.176200     -0.2391000    
 C   -2.602300      -1.078900      0.2700000    
 C   -3.193600       1.635300      1.3100000E-02
 C   -3.895100     -0.6198000      0.5224000    
 C   -4.190700      0.7372000      0.3938000    
 C  -0.7557000       2.276600      -2.009300    
 C   -2.469300      -3.214600     -0.7677000    
 H    2.605100      0.5147000     -0.6747000    
 H    2.084900       1.910000       1.114900    
 H    2.577600      0.7411000       2.349300    
 H    4.659100       1.608600       2.414100    
 H    4.221200       2.823000       1.202100    
 H    6.070300      0.8685000      0.7040000    
 H    5.022400       1.532300     -0.5765000    
 H    2.251200      -1.570700       1.565000    
 H    2.049700      -1.883900     -0.1632000    
 H    4.445100     -0.5042000      -1.836300    
 H    4.205300      -2.001900     -0.9362000    
 H   0.2766000     -0.3832000       1.621800    
 H    6.801000     -0.4010000      -1.087300    
 H    6.539900      -1.778600      7.3000002E-03
 H    6.455700      -1.996700      -1.743100    
 H   -5.199900       1.092800      0.5910000    
 H  -0.3185000       3.269900      -2.143300    
 H  -6.8000004E-02   1.538100      -2.430000    
 H   -1.709300       2.240100      -2.546700    
 H   -1.860800      -2.844600      -1.597700    
 H   -2.142200      -4.229500     -0.5247000    
 H   -3.520100      -3.253100      -1.070300    


%chk=000054942-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054942

0 1
Br -4.017015 3.222646 0.222521
Cl -5.336725 -2.269589 -0.196419
O 0.203562 -1.593140 -0.809887
O -1.131911 2.012024 0.414135
O -2.336222 -2.716288 0.093440
N 4.251846 -0.180546 0.027761
N 0.575649 -0.174443 0.996054
C 2.873915 0.393449 0.095538
C 3.067991 1.868204 0.562051
C 4.528480 1.919223 1.085163
C 5.244218 0.913717 0.161061
C 2.016597 -0.471628 1.063516
C 4.473371 -1.145561 -1.069242
C 5.752025 -1.981557 -0.876547
C -0.232713 -0.756654 0.046168
C -1.698421 -0.353943 0.081628
C -2.097610 1.010745 0.171085
C -2.691303 -1.373907 -0.021100
C -3.469381 1.351350 0.097238
C -4.054735 -0.989330 -0.091746
C -4.456718 0.357223 -0.038813
C -0.546237 2.624128 -0.803000
C -2.202395 -3.493245 -1.166736
H 2.375578 0.362655 -0.900376
H 2.955750 2.556262 -0.296792
H 2.328396 2.169492 1.326386
H 4.581969 1.567039 2.131260
H 4.967418 2.930537 1.036994
H 6.191710 0.541878 0.590081
H 5.479951 1.391533 -0.825059
H 2.366251 -0.322030 2.100446
H 2.154894 -1.533961 0.801156
H 4.516989 -0.623869 -2.061372
H 3.598118 -1.820996 -1.107102
H 0.186940 0.596504 1.545265
H 6.659128 -1.350398 -0.892674
H 5.718922 -2.512248 0.091412
H 5.848724 -2.728660 -1.685536
H -5.515850 0.621804 -0.083563
H 0.158767 3.385159 -0.437440
H -0.011146 1.861164 -1.399366
H -1.336080 3.100163 -1.411407
H -1.329700 -3.113198 -1.723030
H -2.035610 -4.530175 -0.840163
H -3.130786 -3.430032 -1.763789


