%chk=000117705.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117705

0 1
 Br   7.142800      0.3800000      0.3175000    
 O   -1.907200      0.8852000      0.6501000    
 O  -0.9604000     -0.9577000     -0.4939000    
 O   -5.233400      -1.445000     -0.2222000    
 O   -4.789200       1.115200      0.7514000    
 O   -2.791400      -2.674500      0.6727000    
 O   -1.472000       3.385900     -0.3688000    
 C   -3.955700     -0.8406000     -0.4026000    
 C   -4.094900      0.6842000     -0.4217000    
 C   -3.028900      -1.272100      0.7340000    
 C   -2.709900       1.344000     -0.4487000    
 C   -1.693200     -0.5289000      0.6530000    
 C   -2.788200       2.863600     -0.3474000    
 C   0.4037000     -0.9364000     -0.3922000    
 C    1.057900      0.2649000     -0.1359000    
 C    1.124200      -2.113100     -0.5459000    
 C    2.457600      0.3042000     -2.9400000E-02
 C    3.197400     -0.8923000     -0.1854000    
 C    2.515500      -2.092700     -0.4432000    
 C    3.139400       1.504600      0.2286000    
 C    4.597200     -0.8528000     -7.8800000E-02
 C    4.530700       1.525300      0.3312000    
 C    5.258200      0.3489000      0.1775000    
 H   -3.567200      -1.194100      -1.365300    
 H   -4.700200      0.9976000      -1.278900    
 H   -3.516900      -1.072000       1.695400    
 H   -2.186400       1.086800      -1.378500    
 H   -1.119900     -0.7733000       1.557600    
 H   -3.253000       3.190800      0.5880000    
 H   -3.347500       3.288300      -1.186100    
 H   -5.097800      -2.407400     -0.1865000    
 H   -4.193000       1.020800       1.513200    
 H   -2.193700      -2.903600       1.404800    
 H  -0.9997000       3.022300      0.3996000    
 H   0.4936000       1.187600     -3.5300002E-02
 H   0.6128000      -3.050700     -0.7453000    
 H    3.063500      -3.024500     -0.5665000    
 H    2.591000       2.436200      0.3523000    
 H    5.171800      -1.770100     -0.1978000    
 H    5.030500       2.469600      0.5315000    


%chk=000117705-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117705

0 1
Br 7.288576 0.526708 -0.026214
O -1.977364 0.983541 0.581498
O -0.986692 -1.105024 -0.138012
O -5.290840 -1.559089 -0.021575
O -4.872111 1.286769 0.588139
O -2.986104 -2.608299 1.207164
O -1.361586 3.137084 -1.225090
C -3.984828 -0.943993 -0.197123
C -4.163798 0.567912 -0.476650
C -3.105447 -1.157616 1.050905
C -2.760988 1.171249 -0.698329
C -1.745619 -0.430212 0.898569
C -2.726838 2.677267 -0.961335
C 0.410835 -0.888050 -0.192025
C 1.092087 0.106598 0.515143
C 1.106104 -1.793557 -1.054530
C 2.517451 0.208481 0.398453
C 3.232867 -0.706608 -0.465944
C 2.488011 -1.699306 -1.187930
C 3.263644 1.204073 1.111465
C 4.657413 -0.601567 -0.584661
C 4.652032 1.296081 0.987842
C 5.335720 0.380617 0.132682
H -3.452446 -1.396437 -1.062966
H -4.799818 0.694255 -1.369475
H -3.619096 -0.715031 1.931045
H -2.223209 0.641623 -1.507040
H -1.172025 -0.409657 1.845281
H -3.186713 3.223030 -0.113284
H -3.297932 2.906287 -1.876506
H -5.131765 -2.495562 0.268260
H -4.231492 1.437042 1.332608
H -2.635095 -2.833030 2.104445
H -0.794537 2.848180 -0.464417
H 0.557702 0.828058 1.141052
H 0.525165 -2.552122 -1.587016
H 3.022284 -2.393355 -1.846233
H 2.733553 1.904786 1.766846
H 5.196656 -1.294337 -1.238251
H 5.214345 2.057412 1.535309


