%chk=000005724.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005724

0 1
 Br  -5.962200      0.1537000      -2.595700    
 Cl   5.843100      0.9885000      -1.434100    
 F   -2.864800      -1.806200       1.114000    
 O  -0.3765000      -1.803900       1.679300    
 O  -0.1469000       2.765100      0.8556000    
 O    1.118800      -2.299800      -1.485500    
 O    2.313700      -4.122400     -0.8544000    
 N  -0.3021000      0.4739000       1.254600    
 N    1.542000     -0.9408000      0.7142000    
 C    2.267500      0.1836000      0.2219000    
 C    1.694200       1.455500      0.2627000    
 C   -1.649600      0.6526000       1.790000    
 C   0.2452000     -0.8278000       1.244800    
 C   0.3409000       1.638000      0.8103000    
 C    2.170600      -2.261000      0.6652000    
 C   -2.698900      0.5290000      0.7233000    
 C    3.563000      5.9599999E-02 -0.3111000    
 C    2.391400       2.576500     -0.2144000    
 C    4.258500       1.174400     -0.7867000    
 C    3.672900       2.432900     -0.7383000    
 C   -3.254800     -0.7137000      0.4429000    
 C   -3.103800       1.661200      2.6000001E-02
 C    1.887500      -2.998500     -0.6182000    
 C   -4.229400     -0.8257000     -0.5487000    
 C   -4.078600       1.549300     -0.9654000    
 C   -4.641500      0.3058000      -1.252700    
 H   -1.732500       1.630400       2.281600    
 H   -1.833900     -8.4799998E-02   2.581200    
 H    1.738300      -2.874200       1.465400    
 H    3.242400      -2.217600      0.8687000    
 H    4.059200     -0.9021000     -0.3958000    
 H    1.951400       3.570000     -0.1864000    
 H    4.200000       3.310100      -1.104000    
 H   -2.685300       2.638900      0.2438000    
 H   -4.657400      -1.802100     -0.7602000    
 H   -4.390300       2.441100      -1.503100    
 H   0.9500000      -2.800100      -2.312200    


%chk=000005724-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005724

0 1
Br -6.204974 -0.281353 -2.479730
Cl 6.063536 0.932486 -1.226353
F -3.779426 -1.227860 2.152306
O -0.492781 -1.758035 1.455797
O -0.119223 2.882266 1.014344
O 1.180978 -2.082958 -1.844741
O 2.880019 -3.618321 -1.423959
N -0.292301 0.560872 1.249644
N 1.511788 -0.894908 0.609206
C 2.311577 0.206242 0.245541
C 1.787451 1.523969 0.392199
C -1.669115 0.707645 1.807529
C 0.197042 -0.757319 1.121111
C 0.418356 1.741700 0.894015
C 1.992207 -2.270691 0.430243
C -2.753959 0.478562 0.766371
C 3.628976 0.031540 -0.258275
C 2.579304 2.644965 0.042940
C 4.379728 1.170094 -0.588568
C 3.884839 2.486249 -0.448357
C -3.768828 -0.480351 0.959707
C -2.810352 1.233349 -0.432034
C 2.097654 -2.732733 -1.023150
C -4.793518 -0.731933 0.030571
C -3.819819 1.021353 -1.395665
C -4.798146 0.033732 -1.151044
H -1.722155 1.738505 2.196534
H -1.778231 -0.012669 2.631820
H 1.255735 -2.926130 0.932633
H 2.971005 -2.423907 0.913718
H 4.069722 -0.957964 -0.395706
H 2.137409 3.638111 0.169796
H 4.502551 3.346292 -0.716840
H -2.055798 2.007662 -0.605419
H -5.546892 -1.495338 0.237271
H -3.846493 1.615345 -2.312659
H 1.244234 -2.439068 -2.772198


