%chk=000176835.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176835

0 1
 Br   4.370300      -1.814800      0.5373000    
 O   0.6071000     -0.8053000      0.2884000    
 O   -4.791400     -9.2799999E-02 -0.9287000    
 O    2.066600     -0.5305000       2.049800    
 C    3.350900      0.6096000     -0.7910000    
 C    2.901600     -0.7652000     -0.2323000    
 C   -1.742100     -0.8691000      0.3925000    
 C   -1.920000      -2.118200     -0.4216000    
 C   -3.267900      -1.953300      -1.107900    
 C   -2.755200      2.7999999E-03  0.3036000    
 C    2.147500       1.295600      -1.477200    
 C    3.884400       1.564900      0.2940000    
 C    4.442600      0.4277000      -1.868500    
 C  -0.4975000     -0.7249000       1.194500    
 C   -3.732400     -0.6161000     -0.6141000    
 C    1.845700     -0.6916000      0.8564000    
 C   -2.985500       1.327900      0.9242000    
 C   -2.438600       2.454500      9.4099998E-02
 C   -1.486100       3.298800      0.5065000    
 H    2.535200      -1.413300      -1.037800    
 H   -1.123900      -2.230200      -1.165400    
 H   -1.916600      -3.007700      0.2177000    
 H   -3.972300      -2.732400     -0.8034000    
 H   -3.165500      -1.936600      -2.196600    
 H    1.361800       1.549800     -0.7578000    
 H    1.707900      0.6483000      -2.244500    
 H    2.448500       2.229900      -1.965400    
 H    4.762000       1.155500      0.8039000    
 H    3.124000       1.781400       1.051600    
 H    4.184700       2.524300     -0.1440000    
 H    4.663000       1.377700      -2.369800    
 H    5.386700      7.0000000E-02  -1.445900    
 H    4.122900     -0.2834000      -2.638400    
 H  -0.4324000      -1.536900       1.927800    
 H  -0.4619000      0.2343000       1.721400    
 H   -4.059300       1.492800       1.074400    
 H   -2.547900       1.344900       1.930200    
 H   -2.860300       2.595300     -0.8984000    
 H   -1.140700       4.096500     -0.1418000    
 H   -1.034900       3.208600       1.488400    


%chk=000176835-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176835

0 1
Br 2.415229 -1.915893 -1.807121
O 0.342268 0.608770 -0.386335
O -5.057952 -1.717651 0.134263
O 1.742694 -0.302408 1.248172
C 3.991027 0.462121 -0.784695
C 2.535678 0.015452 -1.096355
C -1.797121 -0.351784 0.376210
C -1.378487 -1.801520 0.159345
C -2.712064 -2.580255 0.043044
C -3.161671 -0.187912 0.388413
C 3.882343 1.909037 -0.204362
C 4.712799 -0.453628 0.235074
C 4.795704 0.515474 -2.110493
C -0.772323 0.722321 0.612822
C -3.813012 -1.517042 0.186468
C 1.547668 0.060290 0.067261
C -4.005671 1.058408 0.576212
C -3.673386 2.193330 -0.377681
C -3.443971 3.479913 -0.011259
H 2.120083 0.594860 -1.935947
H -0.755155 -1.895998 -0.749526
H -0.747852 -2.152601 0.999006
H -2.832482 -3.343554 0.832698
H -2.826818 -3.102058 -0.923590
H 3.371377 1.917711 0.774670
H 3.343978 2.588114 -0.892351
H 4.899572 2.314168 -0.057489
H 4.842101 -1.472168 -0.170756
H 4.149570 -0.527962 1.179327
H 5.715270 -0.040148 0.450213
H 5.814385 0.893535 -1.909871
H 4.886258 -0.486083 -2.565922
H 4.320165 1.190295 -2.847574
H -0.328725 0.625229 1.623816
H -1.184850 1.731550 0.466297
H -5.058062 0.741662 0.420121
H -3.940395 1.420856 1.620597
H -3.645780 1.921878 -1.443895
H -3.242469 4.260125 -0.753448
H -3.468923 3.792364 1.040843


