%chk=000064387.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064387

0 1
 Br   5.099300       1.897400     -0.1192000    
 Br   4.477000      -3.723200      0.2359000    
 O    1.393300       2.446500       1.533000    
 N  -0.4487000     -0.3920000      0.5053000    
 N    2.004800       1.762000     -0.6374000    
 C   -1.879200     -0.3006000      0.2191000    
 C   -3.651900      0.9980000      -1.030400    
 C   -3.886200      -1.496400     -0.7465000    
 C   -4.168400      3.0600000E-02   1.240200    
 C   -2.145700      0.8870000     -0.7316000    
 C   -2.379300      -1.600400     -0.4484000    
 C   -2.660900     -7.7600002E-02   1.533400    
 C   -4.134900     -0.3059000      -1.688300    
 C   -4.415100       1.212900      0.2876000    
 C   -4.648200      -1.268200      0.5701000    
 C   0.3130000     -0.5372000     -0.7349000    
 C  -0.1774000      -1.512600       1.405400    
 C    1.793100     -0.6343000     -0.4761000    
 C    2.587100      0.5049000     -0.4346000    
 C    2.345900      -1.893700     -0.2786000    
 C    3.955200      0.3834000     -0.1915000    
 C    3.714100      -2.015500     -3.5599999E-02
 C    4.518800     -0.8770000      8.0000004E-03
 C    1.462300       2.623500      0.3210000    
 C   0.9317000       3.888300     -0.3061000    
 H   -3.835000       1.842500      -1.704400    
 H   -4.235900      -2.421000      -1.219700    
 H   -4.717600      0.1897000       2.175100    
 H   -1.663100      0.7791000      -1.707600    
 H   -1.785300       1.825800     -0.2912000    
 H   -2.236600      -2.480500      0.1885000    
 H   -1.888000      -1.810100      -1.403500    
 H   -2.315500      0.8343000       2.038100    
 H   -2.560800     -0.8988000       2.248300    
 H   -5.203800     -0.2322000      -1.923500    
 H   -3.610600     -0.4635000      -2.638800    
 H   -4.090500       2.148300      0.7598000    
 H   -5.488700       1.313600      8.6300001E-02
 H   -5.725800      -1.211100      0.3733000    
 H   -4.493200      -2.118600       1.245400    
 H   0.1783000      0.2969000      -1.426700    
 H   4.3499999E-02  -1.430700      -1.309000    
 H  -0.2864000      -2.500800      0.9469000    
 H  -0.7553000      -1.501100       2.330700    
 H   0.8442000      -1.441400       1.796700    
 H    1.726100      -2.785600     -0.3292000    
 H    2.093700       2.118400      -1.586600    
 H    5.585500     -0.9750000      0.1982000    
 H    1.767800       4.503500     -0.6498000    
 H   0.3504000       4.450000      0.4303000    
 H   0.2831000       3.646100      -1.153000    


%chk=000064387-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064387

0 1
Br 4.539108 2.370579 -0.815543
Br 5.296502 -3.296695 -1.441173
O 2.969275 2.388118 1.821538
N -0.453743 -0.412004 0.454380
N 1.558493 1.379087 0.214259
C -1.914775 -0.300229 0.041885
C -3.482316 0.730108 -1.705017
C -4.076818 -1.490239 -0.630977
C -4.194528 0.650472 0.715162
C -2.004633 0.545328 -1.266205
C -2.595459 -1.686263 -0.198965
C -2.715376 0.451113 1.145818
C -4.127853 -0.661870 -1.943508
C -4.258521 1.480563 -0.592361
C -4.849472 -0.738256 0.484910
C 0.380444 -1.249527 -0.460191
C -0.198505 -0.812297 1.865995
C 1.888851 -0.953108 -0.448514
C 2.429610 0.364982 -0.251779
C 2.743594 -2.019994 -0.801556
C 3.796781 0.577064 -0.596117
C 4.116705 -1.789880 -1.004014
C 4.653208 -0.492521 -0.936044
C 1.863378 2.322891 1.217429
C 0.715687 3.289053 1.499658
H -3.506912 1.318780 -2.642642
H -4.537868 -2.483365 -0.799800
H -4.729487 1.184666 1.524594
H -1.446828 0.059862 -2.090140
H -1.530880 1.531694 -1.090313
H -2.550869 -2.295896 0.726062
H -2.056000 -2.244455 -0.989125
H -2.238009 1.432448 1.345126
H -2.700514 -0.122872 2.091712
H -5.178606 -0.540860 -2.273563
H -3.591647 -1.197224 -2.752898
H -3.817001 2.484320 -0.430222
H -5.313108 1.631609 -0.896337
H -5.911264 -0.613575 0.194189
H -4.834681 -1.327913 1.423542
H 0.025023 -1.078182 -1.493013
H 0.242663 -2.335117 -0.254070
H -0.623527 -1.808659 2.118619
H -0.601719 -0.064532 2.565619
H 0.893670 -0.858646 2.020450
H 2.329959 -3.026191 -0.924248
H 0.554446 1.041061 0.205214
H 5.703372 -0.301979 -1.167838
H 0.824480 4.176730 0.848739
H 0.771756 3.625130 2.546688
H -0.275884 2.844389 1.298986


