%chk=000055827.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055827

0 1
 Br  -5.689000      0.9884000      0.9679000    
 O    4.966100     -0.8904000       1.506200    
 O    1.065400       3.133300     -0.2211000    
 O    2.184800       1.747000      -1.678600    
 O   -3.959000       3.519600      0.4570000    
 N    2.746800     -0.6463000     -0.2591000    
 N  -0.8481000     -0.9335000     -0.2872000    
 C    1.556000      -1.171500     -0.9240000    
 C   0.3323000     -0.3510000     -0.6138000    
 C    2.572000     -0.6455000       1.199900    
 C    3.935800      -1.429200     -0.6234000    
 C   0.1916000       1.002200     -0.6027000    
 C   -1.789200      4.4100001E-02 -5.5000000E-02
 C   -1.158900       1.275400     -0.2473000    
 C    3.831000     -0.1046000       1.871600    
 C    5.162900     -0.8709000      9.1799997E-02
 C   -1.081900      -2.310200     -0.1977000    
 C   -3.136500     -6.6299997E-02  0.3068000    
 C   -1.907800       2.455600     -7.0200004E-02
 C    1.230600       1.948600     -0.8992000    
 C   -3.256500       2.360500      0.2918000    
 C   -3.859400       1.118000      0.4768000    
 C   -1.507300      -3.003100      -1.320900    
 C  -0.8854000      -2.956900       1.013200    
 C   -1.741600      -4.375300      -1.231100    
 C   -1.119600      -4.329100       1.102800    
 C   -1.547600      -5.038300     -1.9300001E-02
 C    2.039700       4.160300     -0.4348000    
 C    1.672800       5.369100      0.3993000    
 H    1.426100      -2.228500     -0.6671000    
 H    1.700200      -1.133900      -2.012200    
 H    2.382000      -1.666100       1.558400    
 H    1.736900     -1.6500000E-02   1.523100    
 H    4.104000      -1.383900      -1.705500    
 H    3.800100      -2.482000     -0.3436000    
 H    4.010800      0.9449000       1.608100    
 H    3.726100     -0.1597000       2.959900    
 H    6.038000      -1.489500     -0.1311000    
 H    5.388700      0.1525000     -0.2321000    
 H   -3.600700      -1.037200      0.4497000    
 H   -1.452000       3.429900     -0.2201000    
 H   -1.661800      -2.497800      -2.270700    
 H  -0.5513000      -2.415200       1.894200    
 H   -2.075000      -4.927600      -2.104900    
 H  -0.9683000      -4.845200       2.046400    
 H   -1.729900      -6.106700      5.0400000E-02
 H    3.027400       3.789600     -0.1397000    
 H    2.054700       4.430600      -1.496200    
 H   -3.373600       4.277400      0.2872000    
 H    2.397700       6.175700      0.2593000    
 H   0.6774000       5.736300      0.1280000    
 H    1.635800       5.106900       1.461800    


%chk=000055827-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055827

0 1
Br -5.474583 1.071858 1.710572
O 4.935168 -1.777240 1.668331
O 0.883829 3.504009 -0.744654
O 2.391811 1.927923 -1.571324
O -3.876261 3.614395 1.122154
N 2.731987 -0.901003 0.010454
N -0.707984 -0.814106 -0.180977
C 1.704171 -0.937171 -1.061297
C 0.457101 -0.189155 -0.654071
C 2.531386 -1.928469 1.057483
C 4.120243 -0.910882 -0.514100
C 0.281935 1.211069 -0.575199
C -1.638025 0.181832 0.212388
C -1.039687 1.461337 -0.022494
C 3.558056 -1.733443 2.185840
C 5.109116 -0.727125 0.647588
C -0.978534 -2.229447 -0.130547
C -2.947069 0.036956 0.713019
C -1.780983 2.628939 0.278241
C 1.288355 2.178305 -1.010737
C -3.087471 2.502039 0.795464
C -3.660545 1.211356 1.004398
C -0.984521 -2.995332 -1.320869
C -1.267028 -2.841066 1.113314
C -1.259122 -4.379396 -1.260516
C -1.551496 -4.222919 1.164256
C -1.543499 -4.996444 -0.020140
C 1.849108 4.559943 -1.167026
C 1.236417 5.902351 -0.778379
H 1.459888 -1.981846 -1.363911
H 2.125465 -0.413942 -1.935945
H 2.632513 -2.963910 0.641665
H 1.511690 -1.832690 1.475107
H 4.225546 -0.071988 -1.225804
H 4.358994 -1.866921 -1.045770
H 3.376954 -0.757389 2.685908
H 3.494662 -2.548726 2.925845
H 6.152108 -0.821249 0.302812
H 4.953350 0.271339 1.109454
H -3.403631 -0.943842 0.866377
H -1.331829 3.612208 0.107661
H -0.797812 -2.503666 -2.281380
H -1.255966 -2.238289 2.027797
H -1.262145 -4.970916 -2.182189
H -1.772474 -4.694555 2.127620
H -1.761456 -6.068797 0.022914
H 2.813896 4.374773 -0.660836
H 2.013658 4.470753 -2.256315
H -3.382593 4.451809 0.937852
H 1.919594 6.722399 -1.065650
H 0.272440 6.061644 -1.292546
H 1.068571 5.958691 0.311161


