%chk=000066404.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066404

0 1
 Br  -7.037200      -3.041300      0.5888000    
 O   -3.476700       3.033500     -0.3050000    
 O   -4.455500      9.0599999E-02  0.4701000    
 O    6.651500      -1.199400     -0.2251000    
 O   -4.869100      -1.661800     -0.9666000    
 C   -1.355800       1.762900     -0.2086000    
 C   -1.137100      0.2599000      6.4700000E-02
 C   0.2790000     -0.1921000     -0.2924000    
 C    1.293300      0.5953000      0.5918000    
 C   -2.841900       1.866800      0.1876000    
 C   -2.330700     -0.4088000     -0.6186000    
 C  -0.3956000       2.553800      0.6887000    
 C   -3.479600      0.6022000     -0.4281000    
 C    1.069700       2.127200      0.4770000    
 C   0.4897000      -1.691700     -7.3600002E-02
 C   -1.154000       2.193000      -1.683200    
 C    2.724800      0.1296000      0.3388000    
 C    1.869100      -2.100900     -0.5814000    
 C    2.978100      -1.161400     -0.1748000    
 C    3.824600      0.9323000      0.6902000    
 C    4.302900      -1.590200     -0.3699000    
 C    5.135600      0.4906000      0.4992000    
 C   -5.087100      -1.063600      7.7299997E-02
 C    5.375300     -0.7687000     -3.4899998E-02
 C   -6.074400      -1.451400       1.142100    
 C    7.701100     -0.3064000      0.1460000    
 H   -1.266400      7.8400001E-02   1.145200    
 H   0.4740000      1.7600000E-02  -1.352100    
 H    1.091300      0.3330000       1.642100    
 H   -2.958400       1.866200       1.279100    
 H   -2.128200     -0.5531000      -1.686000    
 H   -2.512400      -1.390900     -0.1723000    
 H  -0.6524000       2.393600       1.744000    
 H  -0.4956000       3.630900      0.5085000    
 H   -3.969900      0.8309000      -1.382700    
 H    1.425400       2.481700     -0.4979000    
 H    1.667700       2.654300       1.229400    
 H  -0.2686000      -2.281300     -0.6007000    
 H   0.3973000      -1.933100      0.9932000    
 H  -0.1400000       2.001800      -2.044100    
 H   -1.837000       1.679500      -2.367000    
 H   -1.332900       3.268400      -1.798100    
 H    1.848100      -2.140300      -1.678100    
 H    2.088600      -3.113000     -0.2205000    
 H   -4.420200       2.970300     -7.7900000E-02
 H    3.684300       1.916300       1.127600    
 H    4.496200      -2.576900     -0.7861000    
 H    5.919000       1.180500      0.7940000    
 H   -6.817200     -0.6639000       1.284300    
 H   -5.559400      -1.695300       2.073300    
 H    8.647700     -0.8103000     -7.5000003E-02
 H    7.691900     -0.1000000       1.221700    
 H    7.679400      0.6107000     -0.4525000    


%chk=000066404-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000066404

0 1
Br -7.875707 0.276677 1.132376
O -3.534734 2.846480 -0.273607
O -4.537008 -0.135097 0.510143
O 6.851663 -1.021590 -0.234858
O -5.485474 -1.426890 -1.192733
C -1.376166 1.588980 -0.198648
C -1.075577 0.085549 0.115210
C 0.366103 -0.305615 -0.246859
C 1.340055 0.574190 0.600921
C -2.875287 1.629717 0.195104
C -2.268507 -0.681751 -0.517578
C -0.441535 2.461292 0.669107
C -3.452177 0.326268 -0.419947
C 1.050054 2.096356 0.436547
C 0.684600 -1.795318 -0.000550
C -1.226525 1.956179 -1.699806
C 2.806744 0.186745 0.348518
C 2.088259 -2.134986 -0.540823
C 3.151693 -1.108385 -0.152056
C 3.863519 1.078394 0.653924
C 4.508315 -1.455585 -0.325135
C 5.223192 0.737480 0.480815
C -5.504648 -0.975225 -0.025501
C 5.545331 -0.547521 -0.015523
C -6.576954 -1.276539 1.003714
C 7.955836 -0.110922 0.070680
H -1.168028 -0.026443 1.220665
H 0.538329 -0.097767 -1.324849
H 1.111613 0.324524 1.664952
H -2.964194 1.546566 1.301724
H -2.076156 -0.940926 -1.574245
H -2.501479 -1.621628 0.011888
H -0.690625 2.301887 1.739855
H -0.603280 3.535139 0.456966
H -3.923927 0.516176 -1.399933
H 1.376184 2.422262 -0.570346
H 1.658005 2.673171 1.158712
H -0.067308 -2.441559 -0.492864
H 0.631011 -2.003719 1.088182
H -0.170784 1.958708 -2.017125
H -1.769759 1.259249 -2.363260
H -1.643672 2.963438 -1.868418
H 2.040494 -2.188148 -1.648780
H 2.402616 -3.140295 -0.200483
H -4.449981 2.881055 0.102520
H 3.633069 2.075974 1.041859
H 4.783896 -2.445462 -0.706513
H 6.000556 1.465055 0.732354
H -6.161014 -1.392872 2.013782
H -7.179613 -2.138282 0.690872
H 8.869096 -0.672263 -0.176359
H 7.967408 0.165582 1.143392
H 7.904776 0.807697 -0.546484


