%chk=000035042.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035042

0 1
 Br   4.220200     -0.2668000       1.174600    
 N  -0.9070000      -2.285200     -2.7799999E-02
 N  -0.5998000       2.394500     -4.1700002E-02
 N  -0.7849000      5.6899998E-02 -3.2400001E-02
 N    1.350300       1.118300     -0.3005000    
 N    1.193100      -1.276100     -0.2935000    
 C   -2.337600      -2.285700      0.1559000    
 C   -2.008100       2.558800      0.1400000    
 C  -0.1426000      -1.132200     -0.1214000    
 C   1.8500000E-02   1.128300     -0.1297000    
 C    1.868500     -0.1184000     -0.3738000    
 C   -2.858700      -3.709500      0.1947000    
 C   -2.356200       4.032800      0.2175000    
 C    3.344200     -0.2157000     -0.5618000    
 H   -2.598100      -1.781100       1.093300    
 H   -2.824800      -1.748100     -0.6658000    
 H   -2.334800       2.068200       1.064200    
 H   -2.556400       2.106100     -0.6943000    
 H  -0.4108000      -3.166800     -9.3500003E-02
 H   9.4999997E-03   3.201000     -0.1169000    
 H   -2.629900      -4.237700     -0.7370000    
 H   -2.405400      -4.272100       1.018000    
 H   -3.944200      -3.715600      0.3335000    
 H   -1.841600       4.515600       1.055300    
 H   -2.064400       4.555200     -0.7000000    
 H   -3.433800       4.164200      0.3571000    
 H    3.743600      0.6500000      -1.097200    
 H    3.626900      -1.129900      -1.090600    


%chk=000035042-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000035042

0 1
Br 4.310798 -0.272763 1.227565
N -0.904931 -2.300208 -0.046979
N -0.604760 2.392807 -0.057682
N -0.842991 0.051651 -0.035455
N 1.343718 1.129992 -0.322196
N 1.188146 -1.297546 -0.315112
C -2.362569 -2.343383 0.152114
C -2.044784 2.623209 0.142089
C -0.179433 -1.145718 -0.133988
C -0.032345 1.154968 -0.140252
C 1.877715 -0.123116 -0.388376
C -2.851299 -3.799726 0.201236
C -2.337959 4.129735 0.223784
C 3.363727 -0.218957 -0.579796
H -2.620147 -1.811600 1.088216
H -2.859210 -1.789733 -0.667526
H -2.371506 2.109035 1.065956
H -2.608491 2.158552 -0.689641
H -0.368477 -3.167218 -0.109218
H 0.037217 3.184285 -0.128226
H -2.625945 -4.330999 -0.741710
H -2.381691 -4.352211 1.035739
H -3.944175 -3.827905 0.351405
H -1.803968 4.596390 1.071732
H -2.039708 4.647725 -0.706231
H -3.418488 4.297707 0.371722
H 3.767432 0.673034 -1.074946
H 3.649823 -1.159006 -1.068023


