%chk=000039575.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039575

0 1
 Br   4.336500      0.1380000      -2.550700    
 O  -0.3864000       4.570500     -4.4000000E-03
 O    1.692800       3.569400      0.6786000    
 O   0.1799000      -2.959100       1.106600    
 N  -0.4276000     -0.9216000      0.3405000    
 N   -4.547000      -1.182000     -9.3999997E-02
 C   -2.423600      3.5000001E-03 -0.1706000    
 C   -1.764700      -1.178200      8.6000003E-02
 C   -2.438700      -2.511900      5.2600000E-02
 C   -3.873200      6.2300000E-02 -0.5279000    
 C   -1.483400       1.055100     -4.7600001E-02
 C   -3.838500      -2.382300     -0.5847000    
 C  -0.2496000      0.4707000      0.3085000    
 C   -1.591800       2.459200     -0.1882000    
 C   0.8744000       1.274300      0.6003000    
 C   -5.937200      -1.184300     -0.5497000    
 C   0.5543000      -1.903300      0.6039000    
 C  -0.4633000       3.212800      6.8499997E-02
 C   0.7192000       2.641800      0.4548000    
 C    1.989100      -1.783400      0.2965000    
 C   0.9852000       4.789200      0.3800000    
 C    2.406900      -1.015500     -0.7893000    
 C    2.927200      -2.438800       1.092500    
 C    3.766500     -0.9027000      -1.079900    
 C    4.286700      -2.326000      0.8019000    
 C    4.706400      -1.557900     -0.2841000    
 H   -1.851500      -3.237100     -0.5207000    
 H   -2.540600      -2.884500       1.079100    
 H   -4.337500      0.9202000     -2.7300000E-02
 H   -3.967200      0.2059000      -1.612100    
 H   -3.746700      -2.347300      -1.679100    
 H   -4.404700      -3.289200     -0.3385000    
 H   -2.529200       2.927600     -0.4695000    
 H    1.810300      0.8669000      0.9595000    
 H   -6.472400     -0.3129000     -0.1562000    
 H   -6.462700      -2.069900     -0.1759000    
 H   -6.014400      -1.172900      -1.642900    
 H    1.502000       5.304000     -0.4380000    
 H    1.003300       5.432000       1.267600    
 H    1.684600     -0.5380000      -1.446500    
 H    2.621300      -3.036900       1.946800    
 H    5.018700      -2.835000       1.422200    
 H    5.769600      -1.479900     -0.4963000    


%chk=000039575-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039575

0 1
Br 4.219995 -0.327025 -2.941822
O -0.372954 4.668943 0.097439
O 1.730067 3.669256 0.693887
O 0.142792 -2.980642 1.326166
N -0.399016 -0.918401 0.375229
N -4.560040 -1.239933 -0.200385
C -2.440834 0.003010 -0.123188
C -1.787516 -1.187044 0.131574
C -2.438274 -2.538599 0.061540
C -3.906286 0.065746 -0.460744
C -1.482368 1.087367 -0.010978
C -3.771324 -2.388114 -0.711501
C -0.207707 0.503209 0.307933
C -1.635933 2.499979 -0.116200
C 0.939513 1.288212 0.591589
C -5.960581 -1.249726 -0.657271
C 0.531198 -1.923604 0.749259
C -0.491473 3.254980 0.129916
C 0.749742 2.666498 0.479160
C 1.973738 -1.743347 0.372137
C 1.038592 4.963738 0.456229
C 2.344572 -1.153023 -0.865086
C 2.964946 -2.301731 1.217673
C 3.704986 -1.123185 -1.222682
C 4.323531 -2.241834 0.846429
C 4.707243 -1.651622 -0.381700
H -1.790606 -3.280554 -0.441734
H -2.628321 -2.928289 1.077771
H -4.412103 0.836906 0.154718
H -4.029089 0.383819 -1.532485
H -3.555753 -2.286459 -1.807328
H -4.375259 -3.303647 -0.577281
H -2.593239 2.966693 -0.359235
H 1.906909 0.875563 0.876603
H -6.511938 -0.418117 -0.181624
H -6.445158 -2.194927 -0.355204
H -6.068872 -1.141977 -1.767199
H 1.524587 5.479615 -0.390151
H 1.056610 5.555904 1.387754
H 1.583379 -0.738588 -1.531507
H 2.652791 -2.785437 2.148321
H 5.092932 -2.659689 1.503619
H 5.759522 -1.611124 -0.677340


