%chk=000103435.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103435

0 1
 Br   5.741400      0.8354000     -0.7849000    
 N   -3.385700       2.209900     -0.4028000    
 N   -1.160300      -2.089300      0.9611000    
 N  -0.4588000      0.4003000       3.167000    
 C  -0.2428000      0.1112000      0.5355000    
 C   -1.154500       1.225200     -0.1020000    
 C   -2.651500       1.124900      0.2430000    
 C    1.262500      0.2922000      0.2039000    
 C  -0.7190000      -1.267400      1.6000001E-02
 C  -0.3683000      0.2659000       2.017300    
 C    2.149600     -0.5755000      0.7733000    
 C    1.609600       1.309500     -0.6382000    
 C  -0.6383000      -1.490600      -1.322300    
 C   -3.206900       2.157600      -1.854000    
 C   -2.949600       3.505700      0.1180000    
 C    3.502300     -0.4114000      0.4746000    
 C    2.962200       1.473400     -0.9369000    
 C   -1.073700      -2.737700      -1.756400    
 C    3.908600      0.6129000     -0.3806000    
 C   -1.574600      -3.291300      0.5018000    
 C   -1.552300      -3.660900     -0.8333000    
 H  -0.7742000       2.191400      0.2518000    
 H   -1.025500       1.193700      -1.187600    
 H   -2.815200       1.164700       1.326000    
 H   -3.064900      0.1650000     -8.7700002E-02
 H    1.848900      -1.379300       1.437000    
 H   0.9268000       2.007000      -1.103400    
 H  -0.2597000     -0.7736000      -2.039500    
 H   -3.382700       1.148700      -2.244700    
 H   -2.232100       2.513500      -2.204300    
 H   -3.959300       2.800800      -2.326200    
 H   -2.966000       3.520800       1.213700    
 H   -3.656800       4.277900     -0.2077000    
 H   -1.959400       3.822000     -0.2260000    
 H    4.226900      -1.091100      0.9157000    
 H    3.263100       2.276100      -1.605600    
 H   -1.038700      -2.990400      -2.811900    
 H   -1.938400      -3.975300       1.261400    
 H   -1.896400      -4.639100      -1.149000    


%chk=000103435-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103435

0 1
Br 6.021209 0.655373 -0.751084
N -3.428673 2.245619 -0.337014
N -1.421269 -1.981259 0.838894
N -0.428591 0.378239 3.160035
C -0.178903 0.151844 0.503018
C -1.068001 1.272573 -0.147819
C -2.579287 1.177421 0.223753
C 1.334440 0.326497 0.187581
C -0.656438 -1.232969 -0.006802
C -0.339797 0.234656 1.979880
C 2.266848 -0.524569 0.835410
C 1.819221 1.278356 -0.738832
C -0.331853 -1.660397 -1.319025
C -3.588325 2.222843 -1.798748
C -3.198162 3.590068 0.215792
C 3.647662 -0.435894 0.568024
C 3.201974 1.381615 -1.021746
C -0.827810 -2.900612 -1.772728
C 4.101111 0.520090 -0.365977
C -1.889821 -3.182844 0.390463
C -1.624524 -3.682497 -0.903372
H -0.674121 2.255847 0.172151
H -0.956551 1.201552 -1.246734
H -2.682753 1.197190 1.324924
H -2.982299 0.205078 -0.115995
H 1.912949 -1.260316 1.566843
H 1.135483 1.962039 -1.249678
H 0.306983 -1.043434 -1.959013
H -3.835337 1.197204 -2.128688
H -2.686580 2.561227 -2.371384
H -4.426569 2.883640 -2.088310
H -3.156655 3.533924 1.318188
H -4.040421 4.251286 -0.060651
H -2.257446 4.083057 -0.138827
H 4.354903 -1.094929 1.079188
H 3.564898 2.124534 -1.737707
H -0.591016 -3.254797 -2.781508
H -2.495743 -3.752088 1.104217
H -2.024436 -4.652371 -1.214619


