%chk=000045880.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045880

0 1
 Br   2.288000       2.705000     -0.4085000    
 O   -2.859100     -0.3523000      0.4638000    
 N    2.873600     -0.4126000      0.9083000    
 C    2.043800     -0.4929000     -0.2996000    
 C    1.832600      -1.965200     -0.6869000    
 C   0.7990000      -2.641000      0.2079000    
 C  -0.5561000      -1.952300      6.9100000E-02
 C   0.7300000      0.2428000     -0.1165000    
 C  -0.4795000     -0.4459000      9.8899998E-02
 C   -1.665600      0.2838000      0.2790000    
 C   0.7242000       1.648500     -0.1314000    
 C   -1.654600       1.677900      0.2630000    
 C  -0.4601000       2.360200      5.7599999E-02
 C   -3.616100     -0.6561000     -0.7047000    
 H    2.601100     -4.7300000E-02  -1.132500    
 H    2.780000      -2.517200     -0.6482000    
 H    1.489800      -2.019700      -1.729300    
 H    1.129800      -2.606200       1.253200    
 H   0.7024000      -3.699500     -5.9000000E-02
 H   -1.209300      -2.317300      0.8706000    
 H   -1.000400      -2.252800     -0.8875000    
 H    3.135600      0.5576000       1.079300    
 H    3.746400     -0.9174000      0.7587000    
 H   -2.575200       2.237400      0.4055000    
 H  -0.4743000       3.447200      4.6700001E-02
 H   -4.455700      -1.293000     -0.4126000    
 H   -3.015000      -1.189900      -1.446600    
 H   -4.013800      0.2645000      -1.143500    


%chk=000045880-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045880

0 1
Br 2.307680 2.735939 -0.364366
O -2.739684 -0.813562 -0.216555
N 2.760477 -0.438498 1.182366
C 2.205834 -0.511141 -0.198870
C 2.127738 -1.993695 -0.629467
C 1.045257 -2.727062 0.183010
C -0.343781 -2.136658 -0.126499
C 0.830037 0.161414 -0.226973
C -0.361164 -0.614979 -0.188658
C -1.625230 0.045021 -0.238012
C 0.700279 1.574465 -0.299059
C -1.723925 1.451410 -0.304139
C -0.542748 2.224533 -0.334971
C -4.069711 -0.201785 -0.245714
H 2.846453 0.031303 -0.933659
H 3.118978 -2.464206 -0.477842
H 1.900557 -2.049052 -1.713234
H 1.280998 -2.598644 1.255167
H 1.047421 -3.809940 -0.041815
H -1.088580 -2.470473 0.619358
H -0.715389 -2.523933 -1.098417
H 2.672333 0.491954 1.607172
H 3.730687 -0.774416 1.229644
H -2.692559 1.957250 -0.336669
H -0.598539 3.314906 -0.390225
H -4.774323 -1.045780 -0.214608
H -4.225568 0.379725 -1.175276
H -4.232029 0.452204 0.633111


