%chk=000103997.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103997

0 1
 Br   2.564900       2.562500      -2.128400    
 O   -2.985400       2.650000      0.3301000    
 O   -2.710300      -3.735000     -0.9001000    
 O    3.572300      -1.656000       2.650400    
 O    1.643600     -0.8094000       2.032000    
 O    7.625900     -0.4343000      0.4071000    
 O    7.580800      0.9886000      -1.263900    
 N   -4.688200      0.4258000      6.6900000E-02
 N  -0.8181000      -2.333000     -0.8021000    
 N   0.8612000     -6.8200000E-02 -0.5249000    
 N    1.432600      0.7896000      0.1870000    
 N    2.886400     -0.9137000       1.909400    
 N    7.000500      0.3279000     -0.3689000    
 C   -3.289300      0.3063000     -8.3200000E-02
 C   -5.444700       1.308500     -0.7976000    
 C   -5.380800     -0.3224000       1.095900    
 C   -2.463200       1.422100      5.1500000E-02
 C   -2.734700     -0.9419000     -0.3672000    
 C   -1.354100      -1.074300     -0.5162000    
 C  -0.5281000      4.1700002E-02 -0.3809000    
 C   -1.082600       1.289900     -9.7199999E-02
 C   -5.889900      0.5412000      -2.000700    
 C   -5.427300      0.5009000       2.342700    
 C   -1.500600      -3.543600     -0.9694000    
 C    2.826100      0.6788000      4.2399999E-02
 C   -3.120100       2.999100       1.706000    
 C    3.541900     -0.1627000      0.8936000    
 C   -5.555900      0.8611000      -3.256200    
 C   -4.893300      0.1206000       3.509100    
 C    3.492300       1.404100     -0.9448000    
 C    4.925400     -0.2787000      0.7576000    
 C    5.592100      0.4464000     -0.2300000    
 C  -0.5549000      -4.679700      -1.268800    
 C    4.875500       1.287800      -1.081300    
 H   -4.880500       2.197900      -1.096100    
 H   -6.335200       1.682600     -0.2773000    
 H   -4.913500      -1.297100       1.279500    
 H   -6.410200     -0.5389000      0.7846000    
 H   -3.428200      -1.763000     -0.4766000    
 H  -0.4752000       2.187800     -7.1999999E-03
 H   0.1951000      -2.358400     -0.8975000    
 H   -6.538200     -0.3171000      -1.842100    
 H   -5.950300       1.453100       2.301000    
 H   -4.155600       3.295100       1.892900    
 H   -2.845500       2.180200       2.379100    
 H   -2.470900       3.855400       1.911200    
 H   -5.918700      0.2685000      -4.088800    
 H   -4.918800       1.710700      -3.475100    
 H   -4.971200      0.7586000       4.382600    
 H   -4.370600     -0.8238000       3.612600    
 H    5.487900     -0.9335000       1.419100    
 H   0.1753000      -4.778200     -0.4604000    
 H   -1.114700      -5.614900      -1.356000    
 H  -3.3799998E-02  -4.487400      -2.210900    
 H    5.379600       1.860500      -1.856900    


%chk=000103997-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103997

0 1
Br 2.340053 -1.544256 -2.317248
O -3.085246 2.640336 0.835024
O -2.980884 -3.876502 -0.394101
O 4.059157 2.749874 2.386512
O 2.245406 1.374576 2.566620
O 7.884933 1.036986 -0.084259
O 7.538026 -0.374882 -1.850873
N -4.910268 0.487839 0.221308
N -1.064361 -2.533751 -0.214190
N 0.648877 -0.517019 0.095201
N 1.517733 0.463704 0.228502
N 3.337717 1.750077 1.988252
N 7.119159 0.323718 -0.844127
C -3.531601 0.308388 0.227734
C -5.582872 1.785682 -0.103890
C -5.813482 -0.706237 0.193400
C -2.568431 1.387277 0.466887
C -3.001548 -1.005208 0.031916
C -1.623959 -1.259574 -0.000774
C -0.692343 -0.170367 0.154724
C -1.200628 1.140330 0.394497
C -5.726018 1.982589 -1.605778
C -5.867019 -1.440518 1.522792
C -1.717079 -3.753457 -0.391205
C 2.868406 0.249873 0.004412
C -2.125459 3.687233 1.214956
C 3.809827 0.998733 0.805507
C -5.225106 3.050195 -2.273809
C -5.606257 -2.761124 1.680471
C 3.448324 -0.492872 -1.088169
C 5.184269 1.050047 0.537415
C 5.676994 0.305327 -0.547647
C -0.790091 -4.950607 -0.564916
C 4.817934 -0.468981 -1.364848
H -5.012319 2.612991 0.334085
H -6.579109 1.759537 0.376490
H -5.537050 -1.398334 -0.624326
H -6.822278 -0.323304 -0.045644
H -3.658878 -1.858034 -0.107989
H -0.461598 1.925144 0.573111
H -0.034184 -2.508657 -0.226579
H -6.272151 1.201363 -2.156230
H -6.157277 -0.825018 2.386692
H -2.744996 4.542531 1.521339
H -1.494235 3.354273 2.059554
H -1.486532 3.971384 0.357913
H -5.356284 3.165610 -3.355456
H -4.668257 3.839679 -1.753895
H -5.692518 -3.240934 2.661776
H -5.273902 -3.394992 0.849021
H 5.853449 1.644014 1.164017
H -0.839834 -5.581862 0.340624
H -1.148535 -5.561918 -1.409389
H 0.262405 -4.670357 -0.740510
H 5.246721 -1.032446 -2.197299


