%chk=000045016.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045016

0 1
 Br   4.809100     -0.9833000     -0.8171000    
 O  -0.9382000     -0.2686000      0.9059000    
 O   -5.518600     -0.2268000     -0.5311000    
 O   0.5929000       2.783900       1.026300    
 N  -0.1128000       2.412100      -1.123600    
 C   -3.240500     -0.2545000      0.2000000    
 C   -1.914100     -0.9978000      0.1739000    
 C   0.3664000     -0.4143000      0.5120000    
 C    1.105600      0.6852000      8.8500001E-02
 C   -4.317200     -0.9833000     -0.5870000    
 C   0.9390000      -1.681700      0.5429000    
 C    2.432100      0.5156000     -0.3084000    
 C    2.265400      -1.851400      0.1461000    
 C    3.011900     -0.7526000     -0.2796000    
 C   0.5188000       2.017600      5.1100001E-02
 H   -3.107800      0.7603000     -0.1967000    
 H   -3.566900     -0.1050000       1.237000    
 H   -1.595300      -1.133300     -0.8679000    
 H   -2.031900      -1.986900      0.6317000    
 H   -4.026100      -1.095700      -1.636200    
 H   -4.508700      -1.973800     -0.1621000    
 H   0.3726000      -2.544900      0.8807000    
 H    3.010800       1.375300     -0.6395000    
 H    2.702800      -2.846000      0.1764000    
 H   -6.187200     -0.7153000      -1.040800    
 H  -0.1777000       1.801600      -1.931900    
 H  -0.5333000       3.331600      -1.206600    


%chk=000045016-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045016

0 1
Br 5.038453 -1.265031 0.251350
O -0.976246 0.105704 -0.204617
O -5.732987 -0.507640 -0.496739
O 1.999722 3.156895 -0.237101
N -0.269757 2.690172 -0.322393
C -3.352514 -0.285768 -0.343594
C -1.990020 -0.967620 -0.198345
C 0.385781 -0.238900 -0.097634
C 1.342599 0.822450 -0.111452
C -4.504043 -1.299042 -0.348868
C 0.812982 -1.584634 0.019305
C 2.716146 0.490460 -0.007122
C 2.185260 -1.894675 0.122379
C 3.126221 -0.846474 0.107540
C 1.051033 2.309488 -0.228206
H -3.382583 0.291225 -1.285506
H -3.506819 0.422898 0.490115
H -1.792211 -1.660198 -1.041999
H -1.918334 -1.529837 0.755309
H -4.386707 -2.013644 -1.193443
H -4.514125 -1.878215 0.600900
H 0.090644 -2.404701 0.032646
H 3.423977 1.325285 -0.021302
H 2.506951 -2.936102 0.212513
H -6.519958 -1.108437 -0.494425
H -1.013540 1.987807 -0.314617
H -0.468825 3.686534 -0.400693


