%chk=000161972.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161972

0 1
 Br   1.594000      -2.910900      -1.576100    
 O   -5.094400       1.225900      0.5334000    
 O    5.576000      0.3564000      0.9304000    
 C  -0.6898000     -0.7177000     -6.9499999E-02
 C   9.4999999E-02  0.6081000      0.1845000    
 C   -2.111600     -0.5561000      0.4790000    
 C   -2.868900      0.5914000     -0.2171000    
 C    1.576900      0.5444000     -0.3508000    
 C  -0.6920000       1.862100     -0.2988000    
 C   -2.164900       1.893400      0.1454000    
 C   3.3599999E-02  -1.888800      0.6073000    
 C   -3.083400      -1.730600      0.4248000    
 C    2.271400     -0.7415000      0.1351000    
 C   -4.235000      0.3642000      0.4044000    
 C    1.486000      -2.031400      0.1728000    
 C   -4.419700      -1.085200      0.8197000    
 C    2.346600       1.780600      0.2065000    
 C   -3.049600      0.4528000      -1.739700    
 C    1.627200      0.6007000      -1.896100    
 C    3.849200       1.710900     -1.8800000E-02
 C    3.543300     -0.7644000      0.5760000    
 C    4.410200      0.4355000      0.5475000    
 H  -0.7449000     -0.9217000      -1.143200    
 H   0.1620000      0.7124000       1.279800    
 H   -2.010100     -0.3089000       1.550400    
 H  -0.6573000       1.930800      -1.390700    
 H  -0.2140000       2.771400      8.1699997E-02
 H   -2.213500       2.064200       1.228800    
 H   -2.671300       2.749900     -0.3162000    
 H  -0.5087000      -2.823900      0.4212000    
 H   1.3200000E-02  -1.735600       1.695200    
 H   -2.816200      -2.532000       1.120500    
 H   -3.136900      -2.164800     -0.5795000    
 H    1.964400      -2.760500      0.8387000    
 H   -4.571700      -1.125700       1.902200    
 H   -5.259000      -1.541400      0.2906000    
 H    2.163700       1.868000       1.286900    
 H    1.977300       2.708100     -0.2465000    
 H   -2.099600      0.4193000      -2.279500    
 H   -3.613400     -0.4456000      -2.013200    
 H   -3.618000       1.304600      -2.132200    
 H    2.617000      0.3282000      -2.280600    
 H   0.9028000     -7.1300000E-02  -2.363400    
 H    1.410300       1.608400      -2.268000    
 H    4.326700       2.555600      0.4903000    
 H    4.103600       1.765400      -1.081900    
 H    4.003900      -1.678400      0.9375000    


%chk=000161972-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161972

0 1
Br 1.568059 -2.967878 -1.680016
O -5.157698 1.307116 0.585491
O 5.676660 0.347331 0.956877
C -0.686634 -0.729789 -0.068841
C 0.089090 0.607631 0.176753
C -2.117273 -0.574193 0.481189
C -2.889071 0.602618 -0.183256
C 1.583039 0.562441 -0.349162
C -0.689777 1.855867 -0.341343
C -2.164076 1.921926 0.144766
C 0.047262 -1.893039 0.626077
C -3.115756 -1.763098 0.434217
C 2.274856 -0.727994 0.139249
C -4.296289 0.412423 0.415676
C 1.508719 -2.024077 0.198772
C -4.472998 -1.081713 0.774831
C 2.355322 1.789447 0.235894
C -3.087021 0.437456 -1.725060
C 1.641081 0.614285 -1.911653
C 3.881017 1.728617 0.017945
C 3.582862 -0.747032 0.561653
C 4.475107 0.433381 0.559852
H -0.732838 -0.950285 -1.153681
H 0.157084 0.710405 1.285794
H -2.012270 -0.297989 1.557901
H -0.674146 1.872848 -1.447024
H -0.173316 2.775958 -0.010733
H -2.191218 2.089705 1.240274
H -2.678487 2.782438 -0.322006
H -0.474225 -2.851915 0.459668
H 0.047528 -1.710721 1.724334
H -2.863318 -2.560910 1.153606
H -3.139364 -2.222702 -0.571370
H 2.047785 -2.777186 0.794073
H -4.702944 -1.145667 1.856086
H -5.344773 -1.504970 0.244519
H 2.152308 1.850120 1.324508
H 1.964089 2.717345 -0.218527
H -2.124314 0.442485 -2.263214
H -3.607298 -0.501598 -1.985542
H -3.697067 1.276853 -2.103722
H 2.656671 0.385487 -2.278255
H 0.961254 -0.119083 -2.374765
H 1.369664 1.622275 -2.272266
H 4.395147 2.580014 0.497801
H 4.123611 1.784648 -1.062780
H 4.044358 -1.682983 0.904209


