%chk=000035041.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035041

0 1
 Br  -2.572900       3.300500     -0.7817000    
 N   0.7178000      -1.246800     -0.2454000    
 N  -0.7904000      0.4689000      0.2841000    
 N   -1.576100      -1.733500     -0.2540000    
 N   -3.144000      2.0999999E-03  0.2819000    
 N   -3.882300      -2.159300     -0.2496000    
 C    1.958800     -0.5856000     -0.1364000    
 C  -0.6110000     -0.8174000     -6.2799998E-02
 C    3.097400      -1.296700      0.2430000    
 C    2.047600      0.7798000     -0.4078000    
 C   -2.080700      0.8068000      0.4389000    
 C    4.324500     -0.6424000      0.3514000    
 C    3.274800       1.434000     -0.2996000    
 C    4.413200      0.7228000      7.9999998E-02
 C   -2.815600      -1.253100     -6.4199999E-02
 C   -2.361300       2.219900      0.8223000    
 H   0.7890000      -2.252000     -0.3721000    
 H    3.041400      -2.360700      0.4580000    
 H    1.198000       1.362900     -0.7473000    
 H    5.211000      -1.196000      0.6466000    
 H    3.346500       2.495100     -0.5203000    
 H    5.369200       1.231800      0.1620000    
 H   -1.538900       2.655700       1.396200    
 H   -3.288900       2.309300       1.394300    
 H   -3.682900      -3.114900     -0.5109000    
 H   -4.832700      -1.841800     -0.1179000    


%chk=000035041-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000035041

0 1
Br -2.699983 3.265473 -1.299678
N 0.715198 -1.211958 -0.046738
N -0.856267 0.579203 0.228228
N -1.531608 -1.748815 -0.065604
N -3.219230 -0.004570 0.220308
N -3.822164 -2.250665 -0.061420
C 1.964066 -0.534255 -0.003904
C -0.581666 -0.755996 0.042638
C 3.129569 -1.344497 -0.102654
C 2.097347 0.873941 0.124606
C -2.189313 0.880725 0.300272
C 4.409685 -0.757106 -0.072409
C 3.387499 1.445757 0.153398
C 4.548550 0.644765 0.057005
C -2.823564 -1.320856 0.030373
C -2.548262 2.324547 0.501453
H 0.753980 -2.227748 -0.173095
H 3.030740 -2.433344 -0.203415
H 1.198636 1.488225 0.195656
H 5.297380 -1.394469 -0.150120
H 3.481882 2.533232 0.250555
H 5.543195 1.102254 0.080568
H -1.760273 2.869965 1.036338
H -3.539281 2.432630 0.959726
H -3.586088 -3.229022 -0.206521
H -4.788528 -1.938017 -0.006869


