%chk=000044649.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044649

0 1
 Br  -2.439000      -1.958400     -0.9535000    
 Cl  -3.454000       1.266100      -1.616700    
 Cl  -3.313400       1.945000       1.201900    
 Cl  -5.090400     -0.1663000      0.3341000    
 O   -1.072800      0.2279000      9.0599999E-02
 O    3.573300      0.6522000     -0.1266000    
 O   0.1019000      -1.719100      0.4798000    
 O    2.811800      -1.470000      0.3537000    
 C    1.255400      0.3653000     -1.3700000E-02
 C   -2.344400     -0.4275000      0.2752000    
 C   5.9799999E-02 -0.5256000      0.2195000    
 C   -3.483800      0.5776000      3.8699999E-02
 C    2.609700     -0.2908000      0.1011000    
 C    4.924000      0.1837000     -5.5199999E-02
 C    5.862100       1.339900     -0.3289000    
 H   -2.385600     -0.8467000       1.287700    
 H    1.170500      0.7741000      -1.026800    
 H    1.215500       1.172100      0.7267000    
 H    5.117500     -0.2215000      0.9442000    
 H    5.077700     -0.6026000     -0.8027000    
 H    6.905700       1.016400     -0.2821000    
 H    5.668400       1.767600      -1.318200    
 H    5.707600       2.142300      0.4000000    


%chk=000044649-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044649

0 1
Br -2.630311 -1.236466 -2.061702
Cl -3.949955 1.651227 -0.478154
Cl -2.982965 0.603802 2.195601
Cl -4.902485 -1.035565 0.543968
O -1.148365 0.337270 -0.210738
O 3.562552 0.633304 -0.289031
O 0.343017 -1.435189 0.173879
O 2.537052 0.389366 1.794041
C 1.183565 0.871353 -0.212731
C -2.252966 -0.585196 -0.179519
C 0.158555 -0.230260 -0.040170
C -3.464822 0.132915 0.447943
C 2.467471 0.594061 0.564271
C 4.902413 0.401744 0.348377
C 5.944017 0.543011 -0.755039
H -2.004895 -1.501514 0.382706
H 1.407657 0.974963 -1.289043
H 0.742649 1.823675 0.128359
H 5.030057 1.143768 1.156886
H 4.891265 -0.606054 0.800287
H 6.952753 0.374132 -0.336485
H 5.773781 -0.195592 -1.556563
H 5.917460 1.552946 -1.198343


