%chk=000127072.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127072

0 1
 Br  -6.369900      -1.139100     -5.8100000E-02
 O   -1.011200       2.505000      0.6253000    
 O    1.258200     -0.1036000       1.758300    
 O   -2.522100      4.0800001E-02 -0.5640000    
 O   -3.487900      -1.730800      0.5475000    
 C  -0.1023000      0.5659000     -0.6761000    
 C  -2.9800000E-02   1.460400      0.5436000    
 C    1.315500     -0.1774000     -0.7591000    
 C  -2.4700001E-02  0.5299000       1.704400    
 C   -1.227100     -0.4324000     -0.1940000    
 C   0.3637000       2.915800      0.6031000    
 C   -1.141200     -0.4651000       1.353000    
 C    1.612800     -0.8959000      0.6081000    
 C  -0.4878000       1.293400      -1.970300    
 C    2.477700      0.8277000      -1.030300    
 C    1.316800      -1.224400      -1.906300    
 C    3.054600      -1.282000      0.8093000    
 C    3.868900      0.1798000      -1.035900    
 C    4.075500     -0.8189000      6.9700003E-02
 C   -3.579000     -0.7119000     -0.1222000    
 C    5.487700      -1.271000      0.2964000    
 C   -4.848700     -6.6299997E-02 -0.6023000    
 H  -0.2035000       1.020900       2.665900    
 H   -1.107800      -1.431100     -0.6213000    
 H   0.7879000       3.295100       1.523900    
 H   0.7229000       3.403000     -0.2933000    
 H  -0.9229000      -1.470400       1.727000    
 H   -2.064200     -0.1141000       1.827900    
 H    1.037900      -1.829300      0.6545000    
 H   -1.410800       1.872500      -1.855700    
 H   0.2782000       2.007600      -2.284600    
 H  -0.6512000      0.5867000      -2.789900    
 H    2.490700       1.606300     -0.2602000    
 H    2.338500       1.340500      -1.988400    
 H    1.234800     -0.7402000      -2.885100    
 H    2.233700      -1.822100      -1.922700    
 H   0.4954000      -1.939600      -1.820000    
 H    3.253500      -1.991200       1.609800    
 H    4.616400      0.9788000     -0.9536000    
 H    4.045800     -0.3141000      -1.999000    
 H    6.121200     -0.4192000      0.5639000    
 H    5.888600      -1.731000     -0.6127000    
 H    5.561900      -2.007800       1.103000    
 H   -4.868300     -1.7999999E-02  -1.692900    
 H   -4.973000      0.9200000     -0.1509000    


%chk=000127072-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127072

0 1
Br -4.873547 0.701829 -2.604821
O -0.974492 2.831917 0.711577
O 1.545633 0.257147 1.915284
O -2.614338 -0.068454 0.110464
O -2.720902 -1.891247 -1.357664
C -0.195923 0.580060 -0.389302
C 0.031158 1.697076 0.646608
C 1.195104 -0.197977 -0.570719
C 0.232368 0.939185 1.953973
C -1.177938 -0.364091 0.423632
C 0.485520 3.087850 0.401218
C -0.966195 -0.040014 1.925932
C 1.649848 -0.764761 0.818481
C -0.790121 1.068132 -1.720836
C 2.328787 0.753427 -1.058915
C 1.018663 -1.369694 -1.576859
C 3.084897 -1.236767 0.843804
C 3.662163 -0.000202 -1.263869
C 4.016290 -0.900052 -0.089786
C -3.254726 -0.907980 -0.792988
C 5.440740 -1.411587 -0.032715
C -4.698613 -0.478965 -0.967764
H 0.269970 1.578888 2.848628
H -1.019178 -1.425045 0.172994
H 1.036573 3.620372 1.187132
H 0.674417 3.427094 -0.624777
H -0.790764 -0.937299 2.542326
H -1.861960 0.480564 2.306504
H 0.991299 -1.618679 1.094595
H -1.665952 1.709907 -1.531923
H -0.055986 1.660857 -2.294501
H -1.106745 0.223696 -2.355352
H 2.492801 1.536656 -0.296689
H 2.037601 1.253964 -2.001301
H 0.972931 -0.986896 -2.611991
H 1.865763 -2.074402 -1.513186
H 0.092399 -1.945261 -1.404652
H 3.365958 -1.870624 1.694397
H 4.478732 0.733273 -1.421981
H 3.629256 -0.610402 -2.191116
H 6.157733 -0.571814 0.057969
H 5.706968 -1.954336 -0.961733
H 5.601122 -2.092890 0.820300
H -5.052829 0.128259 -0.124975
H -5.339086 -1.347513 -1.169703


