%chk=000063305.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063305

0 1
 Br   7.063200     -0.2839000     -0.6081000    
 Cl  -5.095600      -4.467600     -0.1617000    
 O    2.239700       1.327600       1.361900    
 N   -2.592900       1.781200     -0.9008000    
 N   0.7117000     -0.4002000       1.023800    
 N    1.380500      -2.427100     -2.4100000E-02
 C   -1.134500       1.162200      0.6174000    
 C  -0.8298000       2.490900      0.2674000    
 C   -2.210200      0.7391000     -9.9600002E-02
 C  -0.3831000      0.3407000       1.631000    
 C   -1.767600       2.864300     -0.6976000    
 C   -2.910200     -0.5240000     -0.1148000    
 C   0.1450000       3.428000      0.6639000    
 C   -1.779500       4.132900      -1.288400    
 C    1.970000      0.2033000      0.9505000    
 C    3.019100     -0.6272000      0.3154000    
 C   0.1454000       4.700700      8.1600003E-02
 C   0.4908000      -1.674800      0.5347000    
 C  -0.8031000       5.045600     -0.8793000    
 C   -3.984400     -0.7345000      0.7484000    
 C   -2.510600      -1.530500     -0.9925000    
 C    2.680000      -1.906800     -0.1447000    
 C    4.322800     -0.1387000      0.1799000    
 C   -4.660500      -1.954500      0.7338000    
 C   -3.186700      -2.750500      -1.007100    
 C    3.670800      -2.691700     -0.7448000    
 C   -4.261600      -2.962600     -0.1438000    
 C    5.298000     -0.9338000     -0.4202000    
 C    4.973200      -2.208100     -0.8820000    
 H   8.3999997E-03  0.9913000       2.422000    
 H   -1.064300     -0.3675000       2.118200    
 H   -3.368200       1.763700      -1.549500    
 H   0.8630000       3.212200       1.445700    
 H   -2.518000       4.402400      -2.035900    
 H  -0.5265000      -2.054700      0.6899000    
 H   0.8871000       5.431900      0.3923000    
 H  -0.7862000       6.040800      -1.316500    
 H   -4.307100      4.1099999E-02   1.438900    
 H   -1.678300      -1.379300      -1.675900    
 H    4.579200      0.8550000      0.5390000    
 H   -5.496200      -2.105700       1.412200    
 H   -2.865200      -3.526500      -1.697000    
 H    3.433200      -3.688000      -1.110200    
 H    5.722900      -2.839600      -1.352000    


%chk=000063305-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063305

0 1
Br 7.507403 -0.216168 0.869453
Cl -6.030300 -4.296423 0.298748
O 2.188988 0.946300 2.224789
N -2.743462 1.660065 -1.019281
N 0.863422 -0.419286 0.841274
N 1.795773 -1.926226 -0.801951
C -1.200569 0.965753 0.513867
C -0.796768 2.265104 0.007633
C -2.407318 0.623686 -0.126070
C -0.397669 0.116812 1.462658
C -1.787872 2.680249 -0.947419
C -3.269837 -0.567694 -0.015956
C 0.308255 3.117430 0.278435
C -1.717749 3.918651 -1.621791
C 2.121713 0.068379 1.310666
C 3.283525 -0.542010 0.633641
C 0.383627 4.352150 -0.392848
C 0.774586 -1.367005 -0.177779
C -0.616187 4.748647 -1.331229
C -3.592078 -1.133284 1.249790
C -3.824788 -1.167607 -1.182988
C 3.082233 -1.515994 -0.398599
C 4.594771 -0.151993 1.012480
C -4.422039 -2.269328 1.351460
C -4.665721 -2.296724 -1.095589
C 4.216397 -2.088342 -1.038652
C -4.948990 -2.836333 0.174581
C 5.686660 -0.737121 0.361118
C 5.513660 -1.705205 -0.664958
H -0.057606 0.700904 2.335428
H -0.977441 -0.749043 1.822837
H -3.626781 1.711757 -1.523787
H 1.075886 2.823047 1.002545
H -2.481397 4.227207 -2.344157
H -0.243024 -1.650930 -0.466081
H 1.223532 5.026104 -0.192576
H -0.525011 5.717238 -1.835196
H -3.230369 -0.655168 2.165979
H -3.570956 -0.769993 -2.172326
H 4.713346 0.593884 1.803577
H -4.669101 -2.693245 2.328831
H -5.080829 -2.755426 -1.997540
H 4.048368 -2.829908 -1.824707
H 6.385417 -2.145812 -1.156909


