%chk=000042455.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042455

0 1
 Br   5.526400      0.7816000       1.307200    
 O   0.1437000     -0.6399000      -1.060700    
 O    2.169000      -2.421000      -1.096100    
 O   -1.698100       3.453700      0.4300000    
 O   -2.564800       2.468400      -1.338800    
 N   -1.719400       2.572500     -0.4399000    
 C  -0.9948000      0.2491000     -0.9675000    
 C  -0.6848000       1.596200     -0.4029000    
 C    1.334500     -0.2488000     -0.5055000    
 C    1.552700       1.010800      6.8300001E-02
 C   -2.022100     -0.4819000     -0.1635000    
 C   0.4832000       2.000900      8.8100001E-02
 C    2.365000      -1.192000     -0.5400000    
 C    2.808900       1.312800      0.6071000    
 C   -2.875700      -1.388400     -0.7880000    
 C   -2.121900     -0.2532000       1.207000    
 C    3.612700     -0.8840000      3.9999999E-04
 C    3.834400      0.3665000      0.5738000    
 C   -3.834000      -2.070000     -3.7999999E-02
 C   -3.080200     -0.9350000       1.957100    
 C   -3.936200      -1.843500       1.334600    
 C    1.701400      -3.454900     -0.2328000    
 H   -1.346200      0.3691000      -2.000700    
 H   0.6983000       2.992100      0.4698000    
 H    2.986800       2.289500       1.053000    
 H   -2.804600      -1.575100      -1.856200    
 H   -1.460000      0.4236000       1.738500    
 H    4.407500      -1.625900     -3.0900000E-02
 H   -4.500100      -2.778000     -0.5224000    
 H   -3.156100     -0.7636000       3.026900    
 H   -4.681300      -2.375500       1.918800    
 H    1.581000      -4.366800     -0.8240000    
 H   0.7319000      -3.188200      0.1999000    
 H    2.427700      -3.647200      0.5632000    


%chk=000042455-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042455

0 1
Br 5.205043 0.701482 2.227715
O 0.289358 -0.517251 -1.307583
O 2.348852 -2.550686 -0.766892
O -1.468860 3.912224 -0.699190
O -2.752871 2.266322 -1.644391
N -1.682369 2.680778 -1.034664
C -1.009984 0.237849 -1.076016
C -0.677121 1.670547 -0.714637
C 1.347295 -0.268111 -0.424392
C 1.501507 1.019012 0.180600
C -1.864155 -0.505887 -0.058066
C 0.491903 2.024441 -0.098877
C 2.339565 -1.270024 -0.223582
C 2.647882 1.318736 0.966094
C -2.738783 -1.523052 -0.517668
C -1.772495 -0.247729 1.332838
C 3.474779 -0.956337 0.567931
C 3.617856 0.321054 1.143904
C -3.505601 -2.276294 0.396178
C -2.536851 -1.003407 2.248944
C -3.403505 -2.019233 1.784066
C 1.083471 -3.232554 -1.120961
H -1.487216 0.192915 -2.067225
H 0.663287 3.072501 0.169106
H 2.760420 2.309958 1.414121
H -2.824546 -1.714997 -1.594275
H -1.115810 0.547277 1.702637
H 4.221167 -1.741064 0.715625
H -4.185850 -3.052924 0.030303
H -2.462012 -0.796291 3.321950
H -4.001354 -2.599577 2.495414
H 1.380081 -4.280686 -1.276548
H 0.651170 -2.806046 -2.038948
H 0.350550 -3.159049 -0.297712


