%chk=000080227.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080227

0 1
 Br  -5.338900       1.823600     -0.5489000    
 Br   6.812500      0.1399000     -3.4899998E-02
 Cl  -3.587500      -3.344400      0.3400000    
 O   -2.296700       2.358700     -0.2384000    
 O   4.2599998E-02   1.671400      0.7130000    
 N   0.7619000     -0.3930000     -0.1390000    
 C   -1.588400      0.1146000      0.1409000    
 C    2.172800     -0.2688000     -0.1146000    
 C  -0.2012000      0.5431000      0.2591000    
 C   -2.606300       1.035800     -0.1058000    
 C   -1.891800      -1.239800      0.2792000    
 C   -3.927800      0.6026000     -0.2141000    
 C    2.740200      0.9045000      0.3516000    
 C    2.952200      -1.323600     -0.5576000    
 C   -3.213300      -1.672900      0.1707000    
 C   -4.231200     -0.7518000     -7.5900003E-02
 C    4.129400       1.027000      0.3755000    
 C    4.341500      -1.201200     -0.5337000    
 C    4.930100     -2.5800001E-02 -6.7299999E-02
 H   0.4407000      -1.271800     -0.5366000    
 H   -1.127700      -1.977400      0.5109000    
 H    2.190900       1.762100      0.7101000    
 H    2.504000      -2.243500     -0.9227000    
 H   -5.260700      -1.093800     -0.1599000    
 H    4.573600       1.949100      0.7419000    
 H    4.951000      -2.031000     -0.8821000    
 H   -1.337000       2.489400     -0.2905000    


%chk=000080227-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080227

0 1
Br -5.407658 1.969964 0.142270
Br 6.980415 0.162764 -0.024079
Cl -3.789723 -3.456266 -0.262515
O -2.369381 2.371308 0.169749
O 0.054765 1.770710 0.134263
N 0.805713 -0.427926 -0.074597
C -1.617900 0.033474 -0.012326
C 2.216806 -0.223457 -0.056845
C -0.204794 0.506724 0.020148
C -2.650408 1.039264 0.066898
C -1.985165 -1.337845 -0.111892
C -4.014479 0.621330 0.036758
C 2.824597 1.052529 0.081044
C 3.033356 -1.379508 -0.184173
C -3.335391 -1.698138 -0.136091
C -4.365571 -0.732526 -0.063687
C 4.231579 1.157707 0.090030
C 4.437549 -1.273356 -0.175070
C 5.026665 0.001255 -0.037508
H 0.519882 -1.403260 -0.173243
H -1.240555 -2.138447 -0.166977
H 2.199664 1.940578 0.178092
H 2.576146 -2.371424 -0.291673
H -5.415278 -1.035254 -0.084173
H 4.697936 2.141106 0.196425
H 5.058026 -2.168151 -0.273418
H -1.331897 2.459845 0.183493


