%chk=000130851.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130851

0 1
 Br   5.331300     -0.1377000       1.221400    
 O   -2.283800       1.251000       1.334300    
 O   -1.777400       3.414900     -0.2001000    
 O   -4.936600      0.2505000      0.6296000    
 O    3.515900      0.5169000      -1.640500    
 N    1.663600      -2.004800      0.4404000    
 N    2.192500      0.7496000      0.2517000    
 C  -0.1992000      0.2089000      0.6824000    
 C   0.9567000      0.2300000     -0.3428000    
 C    1.180200      -1.270500     -0.7591000    
 C  -0.8809000       1.541900       1.034000    
 C   0.1930000     -0.6197000       1.931300    
 C   -1.401300     -0.4383000      7.5300001E-02
 C   0.6179000       1.155700      -1.535000    
 C  -8.5800000E-02  -1.907800      -1.435900    
 C   0.7219000      -2.019800       1.564600    
 C   -1.400100      -1.461500     -0.8533000    
 C   0.2816000       2.570300      -1.062700    
 C  -0.8875000       2.567500     -0.1044000    
 C   -2.554900      0.1595000      0.5423000    
 C    2.166000      -3.341900      0.1445000    
 C   -2.644900      -1.945400      -1.256000    
 C   -3.792700     -0.3125000      0.1707000    
 C    3.361400      0.8421000     -0.4646000    
 C   -3.830300      -1.384600     -0.7325000    
 C    4.493500       1.385800      0.3642000    
 H    1.980200      -1.324400      -1.506700    
 H  -0.4213000       2.017700       1.907600    
 H  -0.6552000     -0.7374000       2.619000    
 H   0.9637000     -8.6700000E-02   2.501800    
 H  -0.2484000      0.7753000      -2.088800    
 H    1.416500       1.209700      -2.279200    
 H  -3.4699999E-02  -3.001000      -1.428300    
 H  -8.1600003E-02  -1.609000      -2.492800    
 H    1.219300      -2.429800       2.452700    
 H  -0.1224000      -2.688000       1.354200    
 H   1.3200000E-02   3.182400      -1.931300    
 H    1.132000       3.051400     -0.5694000    
 H    2.166400       1.097500       1.205200    
 H    2.894000      -3.313900     -0.6736000    
 H    1.372100      -4.047100     -0.1201000    
 H    2.695000      -3.746700       1.014800    
 H   -2.712500      -2.746300      -1.987400    
 H   -4.785700      -1.783700      -1.066100    
 H    4.155200       2.073200       1.142600    
 H    5.237000       1.872200     -0.2708000    
 H   -5.695000     -0.2210000      0.2443000    


%chk=000130851-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130851

0 1
Br 4.349986 1.707609 2.352104
O -2.279509 1.201518 1.431011
O -1.734668 3.546606 -0.022152
O -4.981529 0.167726 0.829888
O 3.585782 0.657334 -1.671203
N 1.626219 -2.021844 0.357471
N 2.195251 0.749252 0.220540
C -0.196989 0.202035 0.663350
C 0.942671 0.237407 -0.401404
C 1.160969 -1.265589 -0.837819
C -0.844942 1.557801 1.091525
C 0.231078 -0.648368 1.902263
C -1.414931 -0.454755 0.026606
C 0.548386 1.171411 -1.573753
C -0.094757 -1.874290 -1.559535
C 0.662014 -2.069230 1.481905
C -1.423406 -1.476692 -0.930156
C 0.261369 2.602489 -1.057220
C -0.855039 2.653368 -0.018430
C -2.573604 0.113111 0.574086
C 2.227640 -3.329893 0.051654
C -2.697499 -1.982418 -1.294703
C -3.843276 -0.397281 0.239904
C 3.389337 0.861960 -0.428083
C -3.875872 -1.463313 -0.703104
C 4.628284 1.267198 0.377438
H 1.997881 -1.273244 -1.560427
H -0.422797 1.983457 2.019798
H -0.621169 -0.708253 2.603869
H 1.057992 -0.155243 2.451996
H -0.349502 0.774360 -2.077311
H 1.369174 1.198404 -2.310154
H 0.020070 -2.976042 -1.585557
H -0.084389 -1.549845 -2.620124
H 1.158896 -2.567974 2.335398
H -0.244030 -2.675122 1.237357
H -0.012871 3.285155 -1.879746
H 1.184037 3.005563 -0.590235
H 2.232547 0.818209 1.241048
H 2.980778 -3.214208 -0.748135
H 1.493648 -4.108181 -0.276103
H 2.740190 -3.718387 0.950967
H -2.782770 -2.776316 -2.045265
H -4.850155 -1.875752 -0.998383
H 5.076063 2.170645 -0.061831
H 5.355594 0.441398 0.368972
H -5.804253 -0.247277 0.469186


