%chk=000157986.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157986

0 1
 Br   1.305300     -0.5295000       1.974900    
 O    1.479400      -2.085000     -0.7252000    
 O    3.624600     -0.2913000     -0.8801000    
 O    6.516200       1.299900      0.4825000    
 O    4.276500       1.519900      0.9961000    
 C   -3.864800      -1.047100      0.7636000    
 C   -4.128500      0.4841000      0.9198000    
 C   -3.839700       1.327300     -0.3311000    
 C   -2.403700      -1.325300      0.3657000    
 C   -4.904000      -1.634900     -0.2215000    
 C   -4.133900      -1.721800       2.132400    
 C   -4.079700       2.815100     -5.8499999E-02
 C   -3.835500       3.656100      -1.311300    
 C   -1.407900     -0.8821000       1.197900    
 C   -2.167600      -2.003900     -0.8026000    
 C  -8.4399998E-02  -1.134800      0.8370000    
 C  -0.8444000      -2.256600      -1.163400    
 C   0.1973000      -1.822200     -0.3437000    
 C   -4.040400       5.137300      -1.036600    
 C    1.905800      -1.547600      -1.975100    
 C    3.391200      -1.249900      -1.904800    
 C    5.007300      9.9999998E-03 -0.7541000    
 C    5.185600       1.026500      0.3426000    
 C    6.845400       2.255800       1.495500    
 H   -5.176800      0.6383000       1.210800    
 H   -3.533200      0.8841000       1.751000    
 H   -2.802800       1.189900     -0.6562000    
 H   -4.485100       1.007300      -1.156200    
 H   -5.924300      -1.403700      0.1093000    
 H   -4.834600      -2.727800     -0.2817000    
 H   -4.804200      -1.229900      -1.234000    
 H   -3.527300      -1.295800       2.939000    
 H   -3.920600      -2.796900       2.093100    
 H   -5.182700      -1.603000       2.429400    
 H   -5.109500       2.965400      0.2879000    
 H   -3.415100       3.151700      0.7466000    
 H   -4.515700       3.340000      -2.110700    
 H   -2.813000       3.497000      -1.673300    
 H   -1.621300     -0.3438000       2.115700    
 H   -2.935600      -2.365200      -1.474000    
 H  -0.6413000      -2.801200      -2.081600    
 H   -5.063400       5.336100     -0.7014000    
 H   -3.350400       5.492400     -0.2646000    
 H   -3.861600       5.719700      -1.945800    
 H    1.705900      -2.277700      -2.766500    
 H    1.363100     -0.6191000      -2.195100    
 H    3.940500      -2.167500      -1.663800    
 H    3.740800     -0.8597000      -2.866800    
 H    5.380300      0.4346000      -1.692000    
 H    5.559500     -0.8969000     -0.4865000    
 H    6.526200       1.892500       2.477000    
 H    6.381400       3.220800       1.270500    
 H    7.931300       2.381900       1.504000    


%chk=000157986-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000157986

0 1
Br 0.519015 -0.720736 2.898362
O 1.591650 -1.561510 0.154421
O 4.235802 -0.533584 -0.953886
O 7.115521 1.458570 -0.054912
O 5.543466 1.818924 -1.744807
C -4.213820 -1.151224 0.205762
C -4.637787 0.268234 0.720195
C -4.191274 1.467196 -0.145653
C -2.673191 -1.260542 0.126109
C -4.889556 -1.429201 -1.162213
C -4.739092 -2.211568 1.222436
C -4.580083 2.825096 0.483118
C -4.157145 4.038689 -0.375606
C -1.891758 -0.995825 1.286410
C -1.977004 -1.635801 -1.046215
C -0.493540 -1.100990 1.265135
C -0.568700 -1.746455 -1.073711
C 0.200781 -1.478815 0.084488
C -4.550388 5.391080 0.257221
C 2.312530 -1.978264 -1.059833
C 3.797678 -1.917832 -0.741903
C 5.570789 -0.299286 -0.434393
C 6.017168 1.098885 -0.847822
C 7.719671 2.777863 -0.362441
H -5.744128 0.275797 0.813746
H -4.244970 0.410349 1.747995
H -3.092762 1.431684 -0.289260
H -4.644600 1.397464 -1.155099
H -5.983865 -1.305854 -1.064075
H -4.699538 -2.463913 -1.502877
H -4.544169 -0.738277 -1.951487
H -4.322591 -2.046317 2.232710
H -4.461754 -3.233514 0.905238
H -5.841823 -2.158179 1.297567
H -5.678503 2.857100 0.645173
H -4.115532 2.910912 1.488013
H -4.617527 3.951563 -1.381251
H -3.059851 4.007200 -0.532762
H -2.377968 -0.700431 2.221245
H -2.527063 -1.848914 -1.966907
H -0.074528 -2.036922 -2.005598
H -5.646007 5.460015 0.397233
H -4.077914 5.515989 1.249995
H -4.236212 6.241785 -0.375264
H 2.009757 -3.010433 -1.331388
H 2.089918 -1.292538 -1.900701
H 3.963261 -2.237469 0.308672
H 4.361070 -2.598078 -1.418768
H 6.307410 -1.028240 -0.844640
H 5.601994 -0.377488 0.672195
H 6.977141 3.579351 -0.212991
H 8.074838 2.802857 -1.406623
H 8.555785 2.875100 0.343749


