%chk=000131441.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131441

0 1
 Br  -2.651000       3.045500      -2.641000    
 O   -1.144400      0.7527000      -3.006500    
 O    1.043800       1.204300     -0.2286000    
 O    1.036300      -1.469000      -1.011100    
 O   -2.565200      0.7633000     -0.4863000    
 O   0.6824000       1.703800       1.989200    
 O  -0.2190000      -2.692500      0.4809000    
 O   -2.674700       1.483700       1.697300    
 C  -0.1865000      0.4880000     -0.2814000    
 C  -8.8900000E-02 -0.6513000      -1.304000    
 C   -1.322100       1.442800     -0.6633000    
 C  -6.9600001E-02 -0.1625000      -2.761900    
 C   -1.173400       1.870800      -2.124300    
 C    1.262800      0.4051000      -3.251000    
 C    1.354900       1.762800      0.9716000    
 C   0.8292000      -2.453500     -9.8399997E-02
 C   -3.131600      0.8684000      0.7465000    
 C    2.653600       2.478200      0.8940000    
 C    2.075300      -3.231000      0.1188000    
 C   -4.412900      0.1201000      0.8005000    
 C    2.886600       3.590400       1.703100    
 C    3.641000       2.038100      1.2400000E-02
 C    2.004000      -4.578700      0.4715000    
 C    3.317400      -2.613900     -3.0200001E-02
 C   -5.158100      9.7199999E-02   1.979500    
 C   -4.871900     -0.5595000     -0.3279000    
 C    4.106700       4.262600       1.630600    
 C    4.861100       2.710300     -5.9999999E-02
 C    3.174600      -5.309200      0.6755000    
 C    4.488000      -3.344500      0.1736000    
 C   -6.361900     -0.6055000       2.030300    
 C   -6.075800      -1.262200     -0.2771000    
 C    5.093900       3.822400      0.7491000    
 C    4.416500      -4.692200      0.5264000    
 C   -6.820800      -1.285100      0.9020000    
 H  -0.3864000      2.6699999E-02  0.6944000    
 H   -1.011800      -1.244200      -1.218100    
 H   -1.287100       2.350500     -4.6200000E-02
 H  -0.2678000      -1.035100      -3.397400    
 H  -0.2810000       2.487000      -2.272700    
 H    1.176100      0.7090000      -4.300100    
 H    2.063300     -0.3371000      -3.174000    
 H    1.569400       1.296300      -2.698400    
 H    2.126400       3.947500       2.393000    
 H    3.491600       1.167700     -0.6209000    
 H    1.044100      -5.074800      0.5886000    
 H    3.403000      -1.562700     -0.2923000    
 H   -4.818100      0.6201000       2.869400    
 H   -4.324100     -0.5685000      -1.266000    
 H    4.287900       5.128900       2.260100    
 H    5.631100       2.366300     -0.7444000    
 H    3.119200      -6.358600      0.9496000    
 H    5.455200      -2.863600      6.0500000E-02
 H   -6.942200     -0.6235000       2.948200    
 H   -6.433700      -1.791800      -1.155300    
 H    6.044100       4.345400      0.6930000    
 H    5.328100      -5.260800      0.6856000    
 H   -7.758100      -1.832200      0.9415000    


%chk=000131441-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131441

0 1
Br -2.840832 2.911510 -2.916470
O -1.199045 0.655825 -3.090491
O 0.897370 1.435936 -0.272203
O 1.094279 -1.390151 -0.946000
O -2.718841 0.699319 -0.600007
O 1.626356 0.339959 1.660486
O -0.193863 -2.711847 0.487026
O -3.047950 1.744812 1.464876
C -0.300803 0.557840 -0.302051
C -0.120992 -0.620581 -1.283405
C -1.470545 1.465927 -0.759970
C -0.014075 -0.214132 -2.773919
C -1.288826 1.823251 -2.239944
C 1.310633 0.418267 -3.224184
C 1.803572 1.223760 0.792065
C 0.925717 -2.426323 0.002698
C -3.453635 0.952382 0.582371
C 2.953347 2.168054 0.741411
C 2.209314 -3.111353 0.309623
C -4.716234 0.170158 0.617132
C 3.963855 2.022962 1.728615
C 3.063006 3.189223 -0.238521
C 2.176234 -4.206954 1.211517
C 3.441618 -2.699898 -0.261472
C -5.523245 0.261824 1.781815
C -5.123639 -0.647324 -0.469834
C 5.074117 2.890588 1.734312
C 4.175737 4.056175 -0.227487
C 3.366040 -4.889160 1.535339
C 4.629615 -3.385901 0.065973
C -6.729589 -0.462125 1.859571
C -6.332694 -1.368233 -0.385752
C 5.182213 3.908743 0.756626
C 4.594523 -4.480635 0.962522
C -7.135684 -1.278655 0.776456
H -0.483154 0.174166 0.717043
H -1.010319 -1.265336 -1.149004
H -1.503995 2.370265 -0.126906
H -0.217323 -1.107351 -3.388829
H -0.415007 2.489792 -2.351980
H 1.236833 0.691501 -4.290791
H 2.124422 -0.317963 -3.105959
H 1.581575 1.308977 -2.635525
H 3.856600 1.230442 2.476499
H 2.276841 3.302659 -0.990071
H 1.214880 -4.501219 1.645135
H 3.457396 -1.848124 -0.946871
H -5.188162 0.900450 2.605787
H -4.496998 -0.702208 -1.364106
H 5.851781 2.777623 2.497040
H 4.258203 4.846739 -0.980922
H 3.339210 -5.734121 2.231541
H 5.581484 -3.068431 -0.373184
H -7.351620 -0.392815 2.758257
H -6.650329 -1.998007 -1.223540
H 6.044437 4.584837 0.762780
H 5.519549 -5.011098 1.215076
H -8.073858 -1.841622 0.837708


