%chk=000059222.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059222

0 1
 Br   7.843100      -3.423200     -6.2899999E-02
 O    2.321800       1.250800       1.478400    
 N    3.352400       1.731400     -0.5486000    
 C   -3.979100      0.3951000     -0.4649000    
 C   -5.186900      5.2600000E-02  0.4097000    
 C   -2.702800      0.5082000      0.3719000    
 C   -6.493100     -8.1000000E-02 -0.3796000    
 C   -1.488800      0.8183000     -0.5054000    
 C   -7.734100     -0.4460000      0.4421000    
 C  -0.2186000      0.9639000      0.3332000    
 C   -8.994300     -0.6203000     -0.4090000    
 C   0.9869000       1.306500     -0.5391000    
 C   -10.23370     -0.9777000      0.4153000    
 C    2.271400       1.419900      0.2632000    
 C   -11.47350      -1.223700     -0.4310000    
 C    4.697500       1.897500     -4.6999998E-02
 C    5.462100      0.6054000     -5.0700001E-02
 C    5.427900     -0.2285000       1.067000    
 C    6.206100      0.2384000      -1.172100    
 C    6.137700      -1.429200       1.063400    
 C    6.916000     -0.9623000      -1.175800    
 C    6.881900      -1.796000     -5.7999998E-02
 H   -3.851100     -0.3803000      -1.229800    
 H   -4.162300       1.340500     -0.9895000    
 H   -5.312700      0.8273000       1.176200    
 H   -4.995300     -0.8885000      0.9398000    
 H   -2.826700       1.297800       1.122900    
 H   -2.532400     -0.4300000      0.9138000    
 H   -6.352700     -0.8432000      -1.156800    
 H   -6.685100      0.8632000     -0.9049000    
 H   -1.353600      1.8300001E-02  -1.243400    
 H   -1.667600       1.745800      -1.063000    
 H   -7.538500      -1.375600      0.9904000    
 H   -7.907500      0.3343000       1.193200    
 H  -0.3597000       1.747300       1.088300    
 H  -2.8899999E-02  3.0700000E-02  0.8781000    
 H   -9.187100      0.3047000     -0.9661000    
 H   -8.817700      -1.407100      -1.152800    
 H   0.8179000       2.259800      -1.054100    
 H    1.129100      0.5313000      -1.301600    
 H   -10.02890      -1.877600       1.007400    
 H   -10.44200     -0.1697000       1.126600    
 H   -11.73090     -0.3332000      -1.013100    
 H   -12.32670      -1.472800      0.2075000    
 H   -11.31330      -2.054100      -1.125900    
 H    3.206700       1.833100      -1.549000    
 H    4.659300       2.315100      0.9661000    
 H    5.195600       2.641400     -0.6791000    
 H    4.855100      4.5800000E-02   1.948600    
 H    6.239000      0.8786000      -2.049600    
 H    6.101000      -2.067300       1.942700    
 H    7.490300      -1.233700      -2.057800    


%chk=000059222-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000059222

0 1
Br 7.283177 -3.497716 1.856342
O 2.368673 2.749641 0.444692
N 3.425933 1.511891 -1.216982
C -3.990172 0.505949 -0.680765
C -5.087209 0.029318 0.297681
C -2.602844 0.659713 -0.017691
C -6.469759 -0.145127 -0.370341
C -1.508131 1.142052 -0.995972
C -7.569663 -0.614273 0.608701
C -0.123334 1.284625 -0.328121
C -8.947911 -0.806165 -0.063553
C 0.968059 1.759395 -1.317212
C -10.049939 -1.268245 0.917077
C 2.296070 2.051385 -0.614095
C -11.420572 -1.468444 0.234686
C 4.781329 1.719373 -0.675300
C 5.388899 0.455548 -0.075417
C 4.740370 -0.205587 0.999617
C 6.607280 -0.072825 -0.564180
C 5.292062 -1.370102 1.574876
C 7.176813 -1.239695 -0.001351
C 6.507397 -1.873931 1.063083
H -3.914789 -0.212341 -1.524209
H -4.293668 1.476727 -1.125877
H -5.173150 0.754821 1.133566
H -4.777309 -0.934265 0.753966
H -2.677142 1.374188 0.828251
H -2.298278 -0.312641 0.423029
H -6.383970 -0.875833 -1.201964
H -6.777477 0.816232 -0.832787
H -1.441076 0.432649 -1.847915
H -1.808773 2.119906 -1.427740
H -7.256742 -1.569514 1.080372
H -7.664387 0.122508 1.433895
H -0.172873 2.010077 0.505386
H 0.177010 0.313251 0.114639
H -9.260360 0.146663 -0.540434
H -8.855321 -1.547905 -0.884640
H 0.630907 2.703585 -1.790769
H 1.099917 1.019644 -2.131806
H -9.733852 -2.215858 1.399518
H -10.147406 -0.522602 1.732680
H -11.770414 -0.529265 -0.234354
H -12.191255 -1.791886 0.958557
H -11.359310 -2.236300 -0.559644
H 3.312371 0.901360 -2.027750
H 4.667138 2.499621 0.100320
H 5.439577 2.118426 -1.469919
H 3.802133 0.200360 1.394811
H 7.126449 0.426082 -1.391654
H 4.789931 -1.871142 2.407397
H 8.118790 -1.641329 -0.385496


