%chk=000044405.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044405

0 1
 Br   2.561500       3.359800      0.4889000    
 O  -0.2877000       3.068700      0.2729000    
 O   -3.694500      -1.110300     -0.5989000    
 N   -1.664100      -2.623200      0.2517000    
 C  -0.6451000      0.8694000     -0.1002000    
 C   -1.472300     -0.2445000     -0.3275000    
 C  -0.9223000      -1.624100     -0.5154000    
 C   0.7525000       1.089800      1.8300001E-02
 C   -1.239800       2.116200      6.3900001E-02
 C   -2.859700     -5.2299999E-02 -0.3793000    
 C    1.836000      0.1510000     -6.7199998E-02
 C   -2.614900       2.338500      1.7500000E-02
 C   0.9148000       2.437200      0.2434000    
 C   -3.418300       1.217100     -0.2096000    
 C   -1.607700      -2.316600       1.680800    
 C   -1.134300      -3.962300     -4.6000001E-03
 C    2.433300     -0.1144000      -1.299500    
 C    2.291500     -0.4951000       1.082000    
 C    3.485800      -1.026100      -1.382700    
 C    3.344200      -1.406600      0.9989000    
 C    3.941200      -1.672100     -0.2335000    
 H  -0.9870000      -1.854600      -1.587500    
 H   0.1325000      -1.690500     -0.2528000    
 H   -3.040600       3.325900      0.1501000    
 H   -4.497900       1.343200     -0.2537000    
 H   -2.114800      -1.382400       1.940200    
 H  -0.5767000      -2.264200       2.051100    
 H   -2.126400      -3.095500       2.252600    
 H   -1.206000      -4.206900      -1.070300    
 H   -1.722200      -4.717200      0.5293000    
 H  -8.6599998E-02  -4.060700      0.3026000    
 H    2.089600      0.3798000      -2.205200    
 H    1.835900     -0.3010000       2.050100    
 H   -3.195400      -1.895500     -0.8722000    
 H    3.950400      -1.233200      -2.342300    
 H    3.698300      -1.910300       1.893600    
 H    4.760500      -2.382200     -0.2982000    


%chk=000044405-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044405

0 1
Br 2.476995 3.651327 0.595927
O -0.282872 3.214701 0.294759
O -3.677191 -1.112682 -0.571207
N -1.790653 -2.668698 0.159146
C -0.607538 0.928581 -0.063039
C -1.415912 -0.226791 -0.265291
C -0.855244 -1.634892 -0.418489
C 0.835274 1.174511 0.110932
C -1.245017 2.198779 0.041473
C -2.829120 -0.028780 -0.382660
C 1.966407 0.215427 0.029505
C -2.624079 2.410931 -0.075810
C 0.946734 2.538893 0.333417
C -3.415788 1.268869 -0.296638
C -1.803998 -2.632755 1.648234
C -1.499908 -4.028919 -0.360879
C 2.228579 -0.487288 -1.178475
C 2.824123 0.001666 1.141025
C 3.314098 -1.384879 -1.269357
C 3.911229 -0.896313 1.050292
C 4.159068 -1.595114 -0.153724
H -0.747935 -1.880511 -1.494879
H 0.149649 -1.722435 0.038788
H -3.059109 3.410239 0.006595
H -4.502103 1.342764 -0.397630
H -2.036306 -1.609479 1.986336
H -0.824411 -2.936490 2.077285
H -2.587332 -3.312398 2.024662
H -1.606098 -4.036653 -1.459199
H -2.222338 -4.746508 0.064002
H -0.472793 -4.367197 -0.099700
H 1.587397 -0.311091 -2.050072
H 2.632544 0.539269 2.076238
H -3.086445 -1.971849 -0.336164
H 3.507125 -1.910835 -2.211117
H 4.562865 -1.049339 1.917806
H 5.003803 -2.289263 -0.224792


