%chk=000127876.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127876

0 1
 Br  -3.719300       2.120600     -7.1800001E-02
 N    1.909900      0.1185000     -0.4056000    
 N    4.050600      0.4751000      -1.208400    
 N    3.835000      0.1110000       1.031200    
 C  -0.3796000     -0.3226000      0.3716000    
 C    1.051500     -0.1518000      0.7546000    
 C   -1.229000      0.7833000      0.3348000    
 C  -0.8686000      -1.588600      4.9300000E-02
 C   -2.567200      0.6232000     -2.4400000E-02
 C   -2.206900      -1.748700     -0.3098000    
 C   -3.056100     -0.6427000     -0.3467000    
 C    3.179600      0.2225000     -0.1749000    
 H    1.131600      0.6690000       1.480000    
 H    1.386200      -1.060800       1.272600    
 H  -0.8438000       1.769300      0.5848000    
 H  -0.2168000      -2.458000      7.1800001E-02
 H   -2.587500      -2.734300     -0.5612000    
 H   -4.096300     -0.7848000     -0.6284000    
 H    3.716700      0.5836000      -2.159900    
 H    5.048800      0.5616000      -1.051800    
 H    4.842600      0.2120000       1.089000    
 H    3.344800     -6.9799997E-02   1.899800    


%chk=000127876-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127876

0 1
Br -2.978743 1.848591 -1.992959
N 1.861267 0.534970 0.010958
N 3.867140 1.517362 -0.706021
N 4.011708 -0.299651 0.772819
C -0.340420 -0.568153 0.303926
C 1.148177 -0.575550 0.656874
C -0.872897 0.445020 -0.527667
C -1.200333 -1.573939 0.811950
C -2.246674 0.429683 -0.831564
C -2.575493 -1.569275 0.493466
C -3.119023 -0.560324 -0.337911
C 3.173321 0.563073 0.050106
H 1.223964 -0.517968 1.769896
H 1.566363 -1.571793 0.369847
H -0.188553 1.208688 -0.904501
H -0.795989 -2.364369 1.457318
H -3.234957 -2.350162 0.888020
H -4.183392 -0.550934 -0.588969
H 3.281766 2.111140 -1.290823
H 4.735892 1.911516 -0.348891
H 4.981956 -0.432148 0.497333
H 3.611121 -0.948179 1.443395


