%chk=000178470.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178470

0 1
 Br -5.9700001E-02   1.378500      -2.130400    
 Br   4.721100       1.684100      0.9447000    
 N    2.629300     -0.2652000      0.3602000    
 N    2.366300       1.700100     -0.6399000    
 N   -1.509200      0.2130000       1.247200    
 N   -3.647400     -0.3831000     -0.4673000    
 C    1.497400     -0.3360000     -0.3687000    
 C   0.7388000      -1.561600     -0.3636000    
 C  -0.3860000      -1.848100      0.6321000    
 C   -1.538800     -0.9142000      0.5086000    
 C    1.336400      0.8579000     -0.9765000    
 C    3.126900      0.9933000      0.1664000    
 C    3.224500      -1.291500       1.189500    
 C    1.045300      -2.478400      -1.302000    
 C   -2.589100      -1.207000     -0.3334000    
 C   -3.617600      0.7440000      0.2712000    
 C   -2.567300       1.036800       1.113100    
 C   -4.771000       1.677300      0.1487000    
 H   2.5500000E-02  -1.774200       1.647700    
 H  -0.7392000      -2.883800      0.5418000    
 H    3.453800     -0.8600000       2.167500    
 H    2.545700      -2.132600       1.334400    
 H    4.138600      -1.635700      0.6985000    
 H   0.5116000      -3.421500      -1.363400    
 H    1.832300      -2.314400      -2.032300    
 H   -2.621600      -2.109500     -0.9324000    
 H   -2.535400       1.941100       1.709300    
 H   -5.513700       1.293700     -0.5585000    
 H   -5.262400       1.805300       1.118300    
 H   -4.433800       2.654000     -0.2127000    


%chk=000178470-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178470

0 1
Br 0.944115 0.090727 -3.650173
Br 3.428510 2.493585 0.966762
N 2.060344 -0.008169 0.317850
N 2.244068 1.419919 -1.444993
N -1.157701 -0.264040 1.507352
N -3.293870 -0.015863 -0.353991
C 1.447423 -0.658039 -0.788330
C 0.797825 -1.984592 -0.736675
C -0.258458 -2.256423 0.346623
C -1.294305 -1.150840 0.468724
C 1.596087 0.262591 -1.844293
C 2.512607 1.221025 -0.148760
C 2.209322 -0.558609 1.674726
C 1.069759 -2.917344 -1.692428
C -2.366107 -1.011411 -0.448454
C -3.154690 0.877295 0.678788
C -2.080903 0.733832 1.600031
C -4.164434 1.994882 0.787639
H 0.214071 -2.375030 1.337919
H -0.753340 -3.214974 0.107222
H 1.250303 -0.481907 2.216246
H 2.528015 -1.612093 1.612230
H 2.983624 0.012457 2.209555
H 0.529447 -3.870480 -1.727747
H 1.826614 -2.745590 -2.463724
H -2.486336 -1.709769 -1.283925
H -1.958706 1.435917 2.432156
H -4.940359 1.862991 0.017996
H -4.645548 2.011704 1.782707
H -3.686077 2.980550 0.637069


