%chk=000003172.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003172

0 1
 Br -0.6546000       2.595000      0.9876000    
 Cl   4.813500       1.256100     -0.5486000    
 N    1.262400     -0.4952000      0.1906000    
 C   0.4480000      0.1933000     -0.8101000    
 C    2.683200     -0.3708000     -0.1333000    
 C   0.8798000      -1.903900      0.2796000    
 C   -1.018800      0.1369000     -0.4749000    
 C    3.089600       1.094600     -0.1362000    
 C    1.709900      -2.640300       1.310600    
 C   -1.625200       1.118100      0.2993000    
 C   -1.753300     -0.9355000     -0.9670000    
 C   -2.987300       1.026100      0.5861000    
 C   -3.115200      -1.027400     -0.6801000    
 C   -3.732200     -4.6799999E-02  9.6400000E-02
 H   0.6041000     -0.2564000      -1.802600    
 H   0.7075000       1.241800     -0.9578000    
 H    2.910900     -0.8349000      -1.102100    
 H    3.308700     -0.8587000      0.6214000    
 H  -0.1468000      -2.006100      0.6418000    
 H   0.9586000      -2.418400     -0.6864000    
 H    2.587200       1.697300     -0.8919000    
 H    2.937200       1.557800      0.8439000    
 H    2.720800      -2.863000      0.9551000    
 H    1.776200      -2.086900       2.253800    
 H    1.243700      -3.606700       1.535200    
 H   -1.296400      -1.700800      -1.588400    
 H   -3.485600       1.780600       1.189300    
 H   -3.696200      -1.860600      -1.064600    
 H   -4.792900     -0.1181000      0.3188000    


%chk=000003172-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003172

0 1
Br -0.414159 2.566553 0.503916
Cl 4.965132 1.313320 0.193053
N 1.281896 -0.562393 -0.253791
C 0.297245 -0.125556 -1.276992
C 2.682234 -0.168565 -0.539102
C 1.101849 -1.960033 0.206496
C -1.124772 -0.023745 -0.738717
C 3.167765 0.796628 0.552286
C 1.819691 -2.263216 1.534172
C -1.591707 1.050096 0.060586
C -2.064754 -1.043154 -1.050011
C -2.913176 1.109340 0.549919
C -3.393164 -1.008385 -0.574044
C -3.817268 0.069734 0.233577
H 0.287998 -0.814002 -2.158920
H 0.618468 0.866442 -1.641896
H 2.762198 0.330339 -1.523841
H 3.350933 -1.052170 -0.578391
H 0.018605 -2.125538 0.348071
H 1.443087 -2.687595 -0.575012
H 2.582530 1.726042 0.570878
H 3.186963 0.330104 1.546789
H 2.916245 -2.156295 1.447474
H 1.463792 -1.582114 2.327121
H 1.612473 -3.303399 1.846116
H -1.734404 -1.874220 -1.685413
H -3.234854 1.957085 1.161793
H -4.090121 -1.812338 -0.832748
H -4.843925 0.114135 0.612132


