%chk=000126515.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126515

1 1
 Br   1.837200      -3.455700      -1.322800    
 O   0.6531000       3.483100     -5.4000001E-03
 O    3.416400       1.424800      0.6169000    
 N   -2.748600     -0.9645000      0.3650000    
 N   0.3694000      6.1900001E-02 -0.2116000    
 N    1.136800       1.164100      2.6900001E-02
 C   -1.990700     -0.5279000     -0.8324000    
 C  -0.9134000      0.4516000     -0.5208000    
 C   -1.022600       1.798700     -0.4958000    
 C    1.133800      -1.072500     -6.3299999E-02
 C   -3.422300      0.2322000       1.051700    
 C   -3.842700      -1.971200     -1.8300001E-02
 C   -1.819000      -1.637100       1.385100    
 C   0.3427000       2.312100     -0.1297000    
 C    2.403400     -0.7526000      0.2728000    
 C    2.441100      0.7492000      0.3422000    
 C   -2.157600       2.716700     -0.7437000    
 C   0.5774000      -2.439600     -0.2592000    
 C    3.605600      -1.573500      0.5426000    
 H   -1.664200      -1.389800      -1.410700    
 H   -2.723300     -4.7300000E-02  -1.495700    
 H   -4.063800     -0.1549000       1.850300    
 H   -2.661100      0.8775000       1.495300    
 H   -4.036600      0.7569000      0.3159000    
 H   -4.360900      -2.286600      0.8920000    
 H   -4.535200      -1.476100     -0.7052000    
 H   -3.365700      -2.826900     -0.5053000    
 H   -1.530400      -2.610700      0.9977000    
 H  -0.9995000     -0.9789000       1.667200    
 H   -2.416900      -1.820300       2.286300    
 H   -1.858000       3.510700      -1.435700    
 H   -2.483100       3.184400      0.1904000    
 H   -3.013900       2.208600      -1.193600    
 H  -0.3270000      -2.536200     -0.8387000    
 H   0.5064000      -2.980500      0.6869000    
 H    3.355300      -2.556400      0.9510000    
 H    4.231500      -1.087700       1.299600    
 H    4.213600      -1.688600     -0.3595000    


%chk=000126515-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126515

1 1
Br 0.480300 -2.904217 -2.218020
O 0.767516 3.467274 0.097031
O 3.483754 1.568977 0.746848
N -2.963480 -0.958955 0.458178
N 0.413553 -0.059841 0.072876
N 1.167247 1.104267 0.307449
C -1.962491 -0.624559 -0.715024
C -0.873982 0.340452 -0.370978
C -0.926527 1.731272 -0.430256
C 1.317669 -1.166927 0.035279
C -3.680513 0.302779 0.934882
C -3.994071 -1.947934 -0.088769
C -2.234720 -1.586550 1.642058
C 0.385364 2.281692 0.002628
C 2.602630 -0.712535 0.304547
C 2.567392 0.761833 0.493337
C -2.021648 2.650935 -0.881382
C 0.909727 -2.562609 -0.231325
C 3.890372 -1.473073 0.384891
H -1.576861 -1.593421 -1.076583
H -2.594693 -0.192150 -1.508745
H -4.419784 0.018386 1.699520
H -2.942532 0.996318 1.361438
H -4.187409 0.774593 0.080563
H -4.690282 -2.223757 0.717867
H -4.549420 -1.472458 -0.911516
H -3.476256 -2.845783 -0.459266
H -1.822395 -2.560211 1.338779
H -1.429822 -0.914006 1.972582
H -2.954727 -1.737001 2.461186
H -1.575947 3.483442 -1.453513
H -2.550371 3.121743 -0.030209
H -2.768717 2.153571 -1.524752
H 0.006395 -2.897804 0.295754
H 1.737615 -3.251832 -0.022865
H 3.755356 -2.524692 0.688889
H 4.566873 -0.983750 1.106297
H 4.412084 -1.466470 -0.591278


