%chk=000003549.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003549

0 1
 Br   4.834600     -0.6070000       1.295800    
 O   2.9899999E-02   2.905800      0.2262000    
 O   0.4257000      -2.648200     -0.3154000    
 O   -2.824600     -0.6987000      0.7922000    
 O    1.686100      -1.756200      -2.026500    
 O   -3.828500       1.116200     -0.2365000    
 N   -2.225600       3.367800      0.2519000    
 N   0.1293000       1.160300      -3.137300    
 C  -0.3781000      4.3600000E-02  0.1099000    
 C   0.9591000      0.6699000      0.4261000    
 C  -0.3340000     -0.6319000      -1.267800    
 C   -1.493500       1.061600      0.1669000    
 C    1.090400       2.060700      0.4469000    
 C   -1.268900       2.392100      0.2153000    
 C    2.086900     -0.1208000      0.6884000    
 C   0.7227000      -1.717600      -1.271900    
 C   -2.864000      0.5206000      0.2039000    
 C    2.327700       2.657300      0.6997000    
 C    3.322700      0.4731000      0.9493000    
 C    3.443600       1.861300      0.9513000    
 C  -7.2800003E-02  0.3727000      -2.309300    
 C    1.339200      -3.745500     -0.2164000    
 C   -4.090100      -1.358500      0.9021000    
 C   0.8723000      -4.678500      0.8805000    
 C   -3.889900      -2.700000       1.574700    
 H  -0.5339000     -0.6974000      0.9054000    
 H   -1.287800      -1.124300      -1.498300    
 H    2.012000      -1.195200      0.7803000    
 H    2.426300       3.739400      0.7089000    
 H    4.399500       2.338900       1.150300    
 H   -3.208500       3.128200      0.2476000    
 H   -1.935900       4.336800      0.2847000    
 H    1.362600      -4.283900      -1.170500    
 H    2.344800      -3.377000      1.2800000E-02
 H   -4.772700     -0.7433000       1.498800    
 H   -4.512900      -1.505700     -9.8099999E-02
 H    1.545800      -5.534200      0.9795000    
 H   0.8262000      -4.151600       1.839300    
 H  -0.1380000      -5.045100      0.6706000    
 H   -4.838900      -3.234300       1.672700    
 H   -3.192600      -3.318500      0.9997000    
 H   -3.452200      -2.570200       2.570000    


%chk=000003549-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003549

0 1
Br 5.026869 -0.383330 1.497202
O 0.069850 2.979140 0.074701
O 0.484527 -2.746728 -0.175563
O -2.907048 -0.772051 0.674529
O 1.572633 -1.938416 -2.074759
O -3.847035 1.369588 0.613906
N -2.167692 3.403174 0.192629
N -0.234340 1.001658 -3.128245
C -0.297980 0.070613 0.311439
C 1.046248 0.750421 0.526457
C -0.359453 -0.707498 -1.091011
C -1.438530 1.069786 0.395147
C 1.185563 2.145416 0.353278
C -1.209423 2.441022 0.223963
C 2.204095 0.015298 0.878586
C 0.682218 -1.827845 -1.208762
C -2.807494 0.627922 0.567935
C 2.423957 2.802907 0.470997
C 3.443744 0.667229 1.008203
C 3.574841 2.056148 0.794708
C -0.274305 0.220519 -2.228929
C 1.412821 -3.925964 -0.166394
C -4.280931 -1.313379 0.894024
C 1.025551 -4.781867 1.033844
C -4.150435 -2.832413 0.947075
H -0.443543 -0.727404 1.060163
H -1.358852 -1.186838 -1.084440
H 2.123280 -1.061078 1.054608
H 2.477153 3.883796 0.315793
H 4.546190 2.548609 0.887682
H -3.141173 3.074644 0.297597
H -1.905645 4.379059 0.072948
H 1.295168 -4.458172 -1.127158
H 2.450166 -3.548503 -0.107881
H -4.674305 -0.889539 1.835609
H -4.928839 -0.970601 0.067346
H 1.678619 -5.672122 1.080254
H 1.139919 -4.220304 1.976866
H -0.020775 -5.122874 0.954982
H -5.143340 -3.285668 1.121025
H -3.750306 -3.229346 -0.001914
H -3.477967 -3.142309 1.765260


