%chk=000063827.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063827

0 1
 Br  -5.260500      -2.555700      0.7407000    
 O   0.8339000      -1.620600      -1.260800    
 O    3.891300      -3.223200       1.362200    
 O    6.129100      -1.822500      0.4923000    
 N   0.4314000      0.7983000     -8.3999999E-02
 N  -0.5792000     -0.1376000     -0.1458000    
 N   -2.771400     -0.7336000      0.4856000    
 C    1.196600      0.8408000       1.142000    
 C   -1.810900      0.1389000      0.4427000    
 C   0.5192000       1.738600      -1.110600    
 C  -0.2460000      -1.344400     -0.7494000    
 C   -1.342900      -2.338700     -0.7239000    
 C    2.509100      0.1279000      0.9694000    
 C   -2.553000      -1.992600     -0.1040000    
 C   -2.037500       1.466700       1.047900    
 C   0.8477000       3.072800     -0.8287000    
 C   0.2814000       1.365600      -2.441600    
 C   -1.166500      -3.599900      -1.302200    
 C    2.593400      -1.230000       1.248500    
 C    3.621400      0.8364000      0.5340000    
 C   -3.585700      -2.936500     -7.4400000E-02
 C   -1.724000       1.678100       2.387100    
 C   -2.563300       2.497200      0.2750000    
 C   -2.206700      -4.527100      -1.263300    
 C   -3.414100      -4.196700     -0.6506000    
 C    3.811200      -1.891000       1.089100    
 C   0.9363000       4.013300      -1.855100    
 C   0.3702000       2.305900      -3.468100    
 C    4.839300      0.1755000      0.3746000    
 C    4.934200      -1.188300      0.6522000    
 C   0.6976000       3.629800      -3.174700    
 C   -1.938500       2.932300       2.958800    
 C   -2.777700       3.751500      0.8465000    
 C   -2.465300       3.968900       2.188500    
 H   0.6633000      0.3368000       1.958200    
 H    1.363500       1.855000       1.520100    
 H    1.020400       3.420100      0.1851000    
 H   2.4200000E-02  0.3501000      -2.722500    
 H  -0.2323000      -3.875900      -1.782800    
 H    1.719300      -1.776200       1.593800    
 H    3.561000       1.899000      0.3175000    
 H   -1.331300      0.8746000       3.003600    
 H   -2.811100       2.337400     -0.7710000    
 H   -2.075800      -5.508200      -1.710500    
 H   -4.212100      -4.934800     -0.6317000    
 H    1.186000       5.045200      -1.626600    
 H   0.1841000       2.008100      -4.495800    
 H    5.710500      0.7287000      3.4499999E-02
 H   0.7652000       4.362300      -3.973800    
 H   -1.699000       3.100500       4.004700    
 H   -3.187500       4.558700      0.2466000    
 H   -2.632900       4.945200       2.633700    
 H    3.017900      -3.541100       1.648900    
 H    6.012200      -2.759100      0.7285000    


%chk=000063827-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063827

0 1
Br -5.473723 -2.465454 1.443256
O 0.455915 -1.809298 -1.410697
O 4.864986 -2.109595 -0.577629
O 6.559045 -0.968732 1.193197
N 0.335481 0.645911 -0.198253
N -0.779572 -0.219405 -0.181939
N -2.949993 -0.740063 0.714759
C 1.077602 0.817694 1.071075
C -1.966305 0.131256 0.526263
C 0.622356 1.372201 -1.382757
C -0.610235 -1.517536 -0.800307
C -1.750691 -2.433770 -0.628242
C 2.536281 0.354097 1.057095
C -2.871516 -2.016243 0.164428
C -2.120611 1.483583 1.136752
C 1.731071 2.265164 -1.416425
C -0.201956 1.254088 -2.536692
C -1.696093 -3.727820 -1.205070
C 2.972867 -0.676325 0.189403
C 3.456715 0.940428 1.959883
C -3.927741 -2.959922 0.362668
C -2.762061 1.549541 2.404456
C -1.735253 2.689931 0.492505
C -2.755378 -4.624008 -0.998983
C -3.873990 -4.240241 -0.208589
C 4.308788 -1.101433 0.244342
C 1.998131 3.014926 -2.580882
C 0.082281 2.008918 -3.692694
C 4.798909 0.498460 2.017885
C 5.232394 -0.527495 1.158082
C 1.181451 2.897459 -3.728331
C -2.981346 2.792247 3.031895
C -1.969449 3.932323 1.120013
C -2.581350 3.989860 2.393666
H 0.515013 0.247984 1.833637
H 1.031742 1.882171 1.381062
H 2.395516 2.359423 -0.553896
H -1.056758 0.571609 -2.538279
H -0.817100 -3.996531 -1.798487
H 2.268058 -1.115081 -0.529393
H 3.130568 1.746661 2.628267
H -3.093429 0.617702 2.872810
H -1.288334 2.672932 -0.504925
H -2.731016 -5.624884 -1.440897
H -4.696510 -4.942433 -0.043769
H 2.859544 3.692424 -2.587391
H -0.563596 1.898413 -4.571052
H 5.517951 0.942660 2.712341
H 1.398068 3.480387 -4.629310
H -3.468030 2.827217 4.012467
H -1.678936 4.855501 0.607302
H -2.754164 4.957213 2.878251
H 4.197989 -2.466064 -1.212583
H 6.672112 -1.681553 0.510112


