%chk=000046701.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046701

0 1
 Br  -3.167700       1.812100     -0.8522000    
 Cl   4.186200      0.3255000       1.026200    
 Cl   3.083800      0.5935000      -1.650900    
 Cl   2.640900      -1.850600     -0.1265000    
 O   0.3769000      0.2384000     -0.2211000    
 O  -0.9605000       1.399100       1.251800    
 C   -2.660600     -0.9726000     -0.2943000    
 C   -1.918500      0.3070000     -0.7079000    
 C   -3.363900     -0.8778000       1.064400    
 C   -1.710700      -2.175300     -0.2923000    
 C  -0.8125000      0.7371000      0.2330000    
 C    1.520100      0.5349000      0.5869000    
 C    2.786600     -7.1300000E-02 -1.7200001E-02
 H   -3.436100      -1.173100      -1.046000    
 H   -1.515400      0.2141000      -1.722900    
 H   -3.864300      -1.824400       1.298900    
 H   -4.134000     -0.1021000       1.080700    
 H   -2.655000     -0.6750000       1.873500    
 H   -2.267700      -3.104700     -0.1310000    
 H   -1.190400      -2.263500      -1.251900    
 H  -0.9592000      -2.098300      0.5003000    
 H    1.350700      0.1335000       1.594800    
 H    1.621300       1.625400      0.6653000    


%chk=000046701-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046701

0 1
Br -2.835070 1.953908 -0.671277
Cl 4.337781 0.478515 0.974025
Cl 3.182696 0.276031 -1.818161
Cl 2.327221 -1.703831 0.310352
O 0.478895 0.774349 -0.331861
O -0.687299 0.267163 1.636385
C -2.752137 -1.014386 -0.278247
C -1.815009 0.173121 -0.585894
C -3.523746 -0.922477 1.056392
C -1.917966 -2.325586 -0.357811
C -0.674292 0.394563 0.397906
C 1.702847 1.022224 0.442269
C 2.807923 0.062518 -0.014295
H -3.489406 -1.027940 -1.106078
H -1.394771 0.095894 -1.600197
H -4.198458 -1.792770 1.149362
H -4.138321 -0.006858 1.102216
H -2.835352 -0.917614 1.917306
H -2.592982 -3.194168 -0.260500
H -1.379014 -2.419033 -1.318886
H -1.179639 -2.379393 0.462789
H 1.506680 0.879718 1.520542
H 2.019419 2.057952 0.235263


