%chk=000043954.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043954

1 1
 Br  -7.537100      -2.502300      -1.217200    
 Cl   2.702300       4.952700      0.6132000    
 O    4.484600     -0.5852000      -1.986500    
 O    5.140700      -2.734600     -0.3565000    
 N  -0.4816000     -0.3049000       1.400900    
 N   -1.938900       1.442600     -0.5829000    
 C  -0.3459000      -1.716100       1.902300    
 C   0.4795000      0.2733000      0.7382000    
 C    1.094100      -1.983600       2.319800    
 C    1.717100     -0.5026000      0.4044000    
 C    2.019600      -1.622900       1.194300    
 C   -1.795600      0.3713000       1.644900    
 C   0.3666000       1.704900      0.3259000    
 C   -2.427600      0.6050000      0.2836000    
 C    2.540500     -0.1698000     -0.6765000    
 C    3.178500      -2.362100      0.9384000    
 C  -0.7984000       2.210100     -0.2824000    
 C    3.686800     -0.9233000     -0.9345000    
 C    4.009600      -2.011300     -0.1247000    
 C    1.438400       2.563900      0.6190000    
 C   -3.665000     -0.1469000     -7.8599997E-02
 C  -0.8297000       3.565800     -0.6428000    
 C    1.378900       3.910100      0.2638000    
 C   0.2486000       4.409500     -0.3739000    
 C   -3.883400      -1.414700      0.4519000    
 C   -4.591500      0.4246000     -0.9455000    
 C   -5.039400      -2.117700      0.1121000    
 C   -5.747400     -0.2784000      -1.285100    
 C   -5.971400      -1.549400     -0.7563000    
 C    5.538800      0.3397000      -1.728500    
 C    5.028200      -3.847700      -1.240800    
 H  -0.6694000      -2.373400       1.087500    
 H   -1.012100      -1.850300       2.760300    
 H    1.199000      -3.041600       2.585900    
 H    1.362800      -1.388800       3.201800    
 H   -1.610600       1.317500       2.165000    
 H   -2.409500     -0.2416000       2.307600    
 H    2.301400      0.6625000      -1.332700    
 H    3.430700      -3.215200       1.563500    
 H    2.320000       2.185700       1.132500    
 H   -1.710100       3.978000      -1.131800    
 H   0.1868000       5.455900     -0.6613000    
 H   -3.172400      -1.900000       1.111000    
 H   -4.441700       1.416200      -1.363500    
 H   -5.196600      -3.109400      0.5286000    
 H   -6.464500      0.1792000      -1.961900    
 H    6.085400      0.5051000      -2.660900    
 H    6.231800     -6.3299999E-02 -0.9833000    
 H    5.133300       1.297100      -1.385900    
 H    4.708400      -3.519800      -2.234900    
 H    4.322600      -4.583800     -0.8427000    
 H    6.011900      -4.317300      -1.327400    


%chk=000043954-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043954

1 1
Br -7.663087 -2.592244 -1.143494
Cl 2.911395 4.882389 0.244101
O 4.516509 -0.484384 -1.921992
O 4.989848 -2.982275 -0.348678
N -0.565900 -0.316304 1.461314
N -2.082509 1.543410 -0.390933
C -0.510235 -1.771918 1.806691
C 0.448541 0.265089 0.765807
C 0.906965 -2.141347 2.270863
C 1.633245 -0.535390 0.454070
C 1.898579 -1.737307 1.195844
C -1.800516 0.444915 1.774241
C 0.331066 1.680104 0.358912
C -2.564961 0.652008 0.454129
C 2.532358 -0.160775 -0.587868
C 3.033169 -2.498445 0.898952
C -0.888732 2.246232 -0.177497
C 3.673036 -0.921238 -0.882176
C 3.920968 -2.133421 -0.152220
C 1.492543 2.508145 0.455915
C -3.765290 -0.131188 0.108341
C -0.873307 3.600105 -0.630847
C 1.441081 3.846209 0.055182
C 0.263997 4.406840 -0.501873
C -4.358089 -1.064524 1.006731
C -4.365050 0.051455 -1.174232
C -5.507788 -1.792032 0.642789
C -5.510439 -0.668853 -1.548208
C -6.077098 -1.590803 -0.634521
C 5.803089 0.109251 -1.462497
C 5.453825 -3.328015 -1.725058
H -0.797932 -2.361170 0.913788
H -1.249070 -1.958427 2.601733
H 0.953238 -3.225867 2.466269
H 1.136774 -1.628663 3.226277
H -1.517889 1.433206 2.182164
H -2.368991 -0.098033 2.539050
H 2.351905 0.723689 -1.204753
H 3.251035 -3.424003 1.440990
H 2.412876 2.103241 0.884529
H -1.790440 3.994331 -1.076978
H 0.250029 5.450173 -0.829403
H -3.945723 -1.234634 2.006591
H -3.915970 0.772211 -1.863353
H -5.958860 -2.501272 1.341922
H -5.962218 -0.518791 -2.532499
H 6.348966 0.363489 -2.381965
H 6.382485 -0.613498 -0.858634
H 5.608290 1.023190 -0.872625
H 5.460284 -2.449071 -2.386392
H 4.778464 -4.103210 -2.125950
H 6.462631 -3.739878 -1.585147


