%chk=000029158.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029158

0 1
 Br   2.779300       3.718400     -0.2797000    
 Cl  -1.973600      0.8079000       3.924500    
 Cl  -4.963900     -0.1672000      -2.218600    
 O    1.468300      -2.174100     -0.5465000    
 N   -1.612300      0.4471000     -7.0799999E-02
 C  -0.6700000     -0.3125000     -0.8916000    
 C   -1.325600      0.2519000       1.349900    
 C   -2.987600      5.2499998E-02 -0.3737000    
 C   0.7540000      0.1116000     -0.6487000    
 C    1.750400     -0.8424000     -0.4884000    
 C   -2.327300       1.024800       2.193800    
 C   -3.285400      0.2926000      -1.845600    
 C    1.048400       1.467600     -0.5884000    
 C    3.065000     -0.4330000     -0.2645000    
 C    2.363000       1.876700     -0.3640000    
 C    3.371300      0.9265000     -0.2024000    
 C    1.764600      -2.950300      0.6127000    
 C   0.7815000      -4.098000      0.7021000    
 H  -0.8069000      -1.388400     -0.7269000    
 H  -0.8102000     -0.1300000      -1.961400    
 H  -0.3264000      0.6122000       1.617400    
 H   -1.364400     -0.8142000       1.613300    
 H   -3.712000      0.6692000      0.1655000    
 H   -3.171900     -0.9973000     -0.1101000    
 H   -3.352900      0.6668000       2.096300    
 H   -2.298200       2.097700       1.979600    
 H   -2.691000     -0.3251000      -2.519700    
 H   -3.158700       1.344600      -2.120500    
 H   0.2703000       2.213600     -0.7296000    
 H    3.862400      -1.161300     -0.1448000    
 H    4.401000       1.228600     -2.8999999E-02
 H    1.691500      -2.342500       1.523200    
 H    2.785000      -3.339200      0.5283000    
 H   0.9888000      -4.723700       1.574600    
 H  -0.2443000      -3.721100      0.7735000    
 H   0.8303000      -4.719100     -0.1984000    


%chk=000029158-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029158

0 1
Br 2.374347 3.655446 -0.439560
Cl -2.621647 2.280133 3.650738
Cl -4.848714 0.503905 -2.844336
O 1.321283 -2.408160 0.062910
N -1.944624 0.233657 0.105487
C -0.890847 -0.737758 -0.271189
C -2.040789 0.500436 1.560516
C -3.237196 0.032193 -0.587927
C 0.522967 -0.167178 -0.194671
C 1.636771 -1.042331 -0.031000
C -2.381754 1.977922 1.797324
C -3.238675 0.831309 -1.898879
C 0.762440 1.217782 -0.315615
C 2.955163 -0.528988 0.022243
C 2.078543 1.717901 -0.267842
C 3.180531 0.861812 -0.096943
C 2.427624 -3.364584 0.283537
C 1.800492 -4.751955 0.383608
H -0.937669 -1.661897 0.346630
H -1.083441 -1.064358 -1.312253
H -1.063866 0.282947 2.025795
H -2.797432 -0.144577 2.060958
H -4.062924 0.389366 0.053027
H -3.439102 -1.040142 -0.802094
H -3.331414 2.278125 1.329149
H -1.565487 2.643521 1.483084
H -2.429959 0.527334 -2.580304
H -3.204620 1.915576 -1.720300
H -0.098903 1.879022 -0.445627
H 3.814833 -1.191620 0.152571
H 4.198553 1.258735 -0.055460
H 2.964179 -3.094630 1.216060
H 3.137528 -3.303303 -0.566432
H 2.587180 -5.510902 0.545630
H 1.090345 -4.800261 1.226528
H 1.258782 -5.003577 -0.543961


