%chk=000061972.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000061972

0 1
 Br  -2.766600       1.278800       2.683500    
 Br   2.749000       1.285700      -2.683700    
 Br  -4.697600      -1.111800      -2.169600    
 Br   4.687900      -1.094700       2.171400    
 O   -4.689600      0.7240000      0.3222000    
 O    4.673800      0.7392000     -0.3218000    
 C  -2.7999999E-03  -2.409100      1.5000000E-03
 C   -1.240800      -1.581600      8.6000003E-02
 C    1.293400      -1.536600     -8.8000000E-02
 C   3.2200001E-02  -3.381000       1.232900    
 C   8.5100003E-02  -3.378300      -1.237300    
 C   -2.225700      -1.697600     -0.8948000    
 C    2.217900      -1.689500      0.8972000    
 C   -1.413500     -0.6918000       1.146100    
 C    1.402300     -0.6881000      -1.144700    
 C   -2.571200      8.2000002E-02   1.225600    
 C    2.557700      8.9400001E-02  -1.224800    
 C   -3.383300     -0.9236000     -0.8154000    
 C    3.373000     -0.9119000      0.8171000    
 C   -3.556200     -3.3799998E-02  0.2447000    
 C    3.542900     -2.2399999E-02 -0.2439000    
 C   -4.659000       1.996900     -0.3171000    
 C    4.639000       2.012400      0.3164000    
 C   -5.997900       2.640100     -0.1698000    
 C    5.975800       2.659800      0.1686000    
 C   -6.200600       3.811800      0.4426000    
 C    6.174700       3.831700     -0.4449000    
 H  -0.8768000      -3.997300       1.250800    
 H   0.8782000      -4.078000       1.191300    
 H   6.0400002E-02  -2.855000       2.194300    
 H  -0.7251000      -4.117700      -1.222200    
 H   3.3799998E-02  -2.849500      -2.196000    
 H    1.029900      -3.937100      -1.232900    
 H   -2.124400      -2.380000      -1.732100    
 H    2.124300      -2.362900       1.737800    
 H  -0.6472000     -0.5942000       1.911700    
 H   0.6303000     -0.5999000      -1.901900    
 H   -4.440100       1.881300      -1.384600    
 H   -3.870200       2.620100      0.1197000    
 H    4.420600       1.896800       1.384100    
 H    3.848200       2.632800     -0.1208000    
 H   -6.852100       2.118600     -0.5939000    
 H    6.831600       2.141600      0.5931000    
 H   -7.199400       4.228200      0.5148000    
 H   -5.382300       4.372500      0.8806000    
 H    7.172100       4.251300     -0.5173000    
 H    5.354500       4.389300     -0.8833000    


%chk=000061972-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000061972

0 1
Br -2.545856 1.698076 2.485242
Br 2.550588 1.717924 -2.482207
Br -5.084657 -1.375306 -1.763500
Br 5.107200 -1.342899 1.764990
O -4.821192 0.766127 0.533155
O 4.830312 0.800187 -0.529183
C 0.015605 -2.429403 -0.001697
C -1.254428 -1.543792 0.058499
C 1.279508 -1.535465 -0.060071
C -0.000746 -3.347488 1.257024
C 0.037387 -3.344778 -1.262287
C -2.381795 -1.778969 -0.763240
C 2.407841 -1.763742 0.762284
C -1.325219 -0.500808 1.019325
C 1.344043 -0.490989 -1.019863
C -2.488720 0.275637 1.143753
C 2.502182 0.293553 -1.142460
C -3.541636 -0.991713 -0.620169
C 3.562372 -0.968384 0.621001
C -3.636484 0.053621 0.333715
C 3.650801 0.078610 -0.331516
C -4.989127 1.994151 -0.320956
C 4.987710 2.028351 0.326774
C -6.422472 2.426471 -0.198690
C 6.414725 2.479115 0.197379
C -6.805890 3.676499 0.157887
C 6.780063 3.734384 -0.159781
H -0.948887 -3.911840 1.288604
H 0.825290 -4.081092 1.227716
H 0.075060 -2.765563 2.192711
H -0.784124 -4.083438 -1.234147
H -0.042228 -2.761393 -2.196752
H 0.989024 -3.903167 -1.295257
H -2.370142 -2.570337 -1.515614
H 2.400897 -2.555977 1.513802
H -0.464291 -0.289813 1.660944
H 0.482126 -0.285438 -1.661918
H -4.743137 1.717045 -1.366335
H -4.289353 2.774699 0.032294
H 4.751184 1.745801 1.372879
H 4.276131 2.800865 -0.020609
H -7.167759 1.657055 -0.441181
H 7.171321 1.719258 0.434966
H -7.862820 3.961066 0.197310
H -6.074816 4.451473 0.420286
H 7.833004 4.032616 -0.204604
H 6.037608 4.500108 -0.417305


