%chk=000054335.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054335

0 1
 Br  -5.077500      0.9961000       1.395700    
 O   0.1422000      -1.475700     -0.3815000    
 O    2.598000      -2.708800     -0.9706000    
 O  -0.2370000     -7.2400004E-02  -2.635100    
 N    2.796400      0.3627000       1.086900    
 C    2.879700     -0.4966000     -8.6300001E-02
 C    2.424100      -1.926500      0.2143000    
 C    3.288100       1.700900      0.7886000    
 C   0.9631000      -2.015900      0.6495000    
 C    3.184500       2.590100       2.021000    
 C    2.529200       2.299300     -0.3893000    
 C   -1.039600     -0.9046000      8.8000000E-03
 C   -1.596500      0.1423000     -0.7196000    
 C   -1.676600      -1.388900       1.147400    
 C   -2.801500      0.7100000     -0.3057000    
 C   -2.881600     -0.8212000       1.561400    
 C  -0.9421000      0.6591000      -1.913500    
 C   -3.444100      0.2283000      0.8348000    
 C   -1.108800       2.121800      -2.306900    
 H    3.062300      -2.369700      0.9872000    
 H    2.266900     -0.1291000     -0.9158000    
 H    3.911300     -0.5347000     -0.4605000    
 H    4.351400       1.645400      0.5207000    
 H    3.334700     -4.1999999E-02   1.852300    
 H   0.8496000      -1.480900       1.600400    
 H   0.6892000      -3.068800      0.7861000    
 H    3.586700       3.588200       1.816400    
 H    2.143600       2.706700       2.343700    
 H    3.752900       2.170500       2.858500    
 H    2.813500       1.851000      -1.346700    
 H    2.752100       3.369000     -0.4809000    
 H    1.444300       2.207300     -0.2634000    
 H    1.998800      -2.354700      -1.650100    
 H   -1.293600      -2.224700       1.724800    
 H   -3.258700       1.518600     -0.8706000    
 H   -3.373600      -1.212800       2.448100    
 H   -1.202900       2.754800      -1.420400    
 H   -1.985400       2.231500      -2.949700    
 H  -0.2156000       2.448400      -2.848100    


%chk=000054335-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054335

0 1
Br -6.052824 0.049294 0.160834
O 0.093887 -0.221190 0.049470
O 1.759710 -1.984042 -1.257560
O -0.136575 -0.295291 -2.661113
N 3.602833 0.250955 1.171803
C 3.050596 -0.181631 -0.132759
C 2.150174 -1.432496 0.032745
C 4.045173 1.671837 1.268850
C 0.914557 -1.128339 0.897708
C 4.970460 1.818315 2.494024
C 2.824812 2.611776 1.386968
C -1.283238 -0.266519 0.090728
C -1.984984 0.062211 -1.117785
C -2.001541 -0.546268 1.281361
C -3.402579 0.172794 -1.063464
C -3.407520 -0.467285 1.303701
C -1.282727 0.201216 -2.438056
C -4.094850 -0.092790 0.128876
C -2.005663 0.927290 -3.570535
H 2.729216 -2.233003 0.533611
H 2.437832 0.636022 -0.551552
H 3.828817 -0.427447 -0.889853
H 4.625487 1.970206 0.359777
H 4.352290 -0.383274 1.483197
H 1.209764 -0.607248 1.826487
H 0.341180 -2.051004 1.103872
H 5.289154 2.867925 2.621008
H 4.439192 1.501349 3.410695
H 5.881538 1.197990 2.387720
H 2.121768 2.477749 0.545361
H 3.148854 3.669163 1.392840
H 2.277028 2.401607 2.323788
H 1.119772 -1.353677 -1.707481
H -1.459393 -0.796000 2.198237
H -3.962323 0.434578 -1.964778
H -3.956592 -0.678009 2.225923
H -2.444287 1.883337 -3.235122
H -2.825336 0.303019 -3.975078
H -1.286161 1.110878 -4.382548


