%chk=000042813.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042813

0 1
 Br  -2.358200       3.442700     -1.8500000E-02
 O  -0.9165000      -2.426800      2.9400000E-02
 O    1.396500      -1.600300      0.9304000    
 N    2.075000      0.3795000     -6.3299999E-02
 C    3.511300      0.1261000      4.1600000E-02
 C  -0.2749000     -0.1299000      0.1937000    
 C    4.270500       1.440700      0.1974000    
 C    3.983700     -0.6367000      -1.192000    
 C    1.143200     -0.5227000      0.3986000    
 C   -1.239500      -1.101400      1.9200001E-02
 C   -2.565000     -0.7109000     -0.1711000    
 C  -0.5806000       1.216900      0.1862000    
 C   -2.898200      0.6435000     -0.1828000    
 C   -1.906000       1.607400     -4.1999999E-03
 C   -3.641300      -1.727900     -0.3647000    
 H    3.689000     -0.4927000      0.9290000    
 H    1.792200       1.192200     -0.6010000    
 H    5.345400       1.261300      0.3018000    
 H    4.114800       2.095700     -0.6671000    
 H    3.927700       1.981300       1.086400    
 H    3.455000      -1.591200      -1.289300    
 H    5.055900     -0.8501000      -1.131800    
 H    3.799800     -6.4099997E-02  -2.108000    
 H   0.1678000       1.984500      0.3600000    
 H   -3.931700      0.9486000     -0.3311000    
 H   -4.621900      -1.258000     -0.5000000    
 H   -3.448300      -2.329400      -1.259100    
 H   -3.717400      -2.381400      0.5107000    
 H   -1.698700      -2.983300     -0.1053000    


%chk=000042813-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042813

0 1
Br -2.667402 3.464019 0.793828
O -0.736647 -2.271990 -0.389108
O 1.520515 -1.292945 1.400656
N 2.086457 0.380021 -0.119814
C 3.550102 0.190057 0.018483
C -0.275162 -0.023475 0.322858
C 4.271333 1.513824 -0.301971
C 4.040421 -0.980051 -0.867295
C 1.172455 -0.392039 0.579769
C -1.224872 -0.995083 -0.086584
C -2.603676 -0.667327 -0.231143
C -0.708862 1.301346 0.573960
C -3.016331 0.658606 0.039315
C -2.070412 1.625555 0.430648
C -3.598733 -1.722359 -0.679535
H 3.719987 -0.084876 1.076078
H 1.742849 1.018596 -0.841010
H 5.361118 1.393889 -0.171933
H 4.093816 1.821073 -1.351426
H 3.930757 2.326883 0.363781
H 3.487001 -1.900978 -0.617587
H 5.117586 -1.165040 -0.700788
H 3.889162 -0.754013 -1.939548
H 0.011803 2.053432 0.908336
H -4.072134 0.927742 -0.062098
H -4.617198 -1.304531 -0.727404
H -3.360413 -2.115275 -1.688272
H -3.639212 -2.582262 0.019910
H -1.474709 -2.909200 -0.557004


