%chk=000067193.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067193

0 1
 Br  0.9532000      -4.565900      0.2438000    
 O  -0.4346000       2.178300      0.3621000    
 O   -3.848500      -1.876200     -0.3089000    
 N    1.625000      0.5914000      0.5823000    
 N   -1.988200      -3.654900     -0.1299000    
 C  -0.7002000     -0.1723000      0.2168000    
 C   -1.591200      -1.233000      4.0300000E-02
 C   0.6642000     -0.4294000      0.3983000    
 C   -2.627700       1.479500      2.0900000E-02
 C   -3.518700      0.4189000     -0.1553000    
 C   -1.185700       1.222700      0.2130000    
 C   -3.033000     -0.9762000     -0.1520000    
 C   -1.118000      -2.550700      4.4700000E-02
 C    1.131600      -1.744000      0.4019000    
 C   0.2424000      -2.802300      0.2255000    
 C   -3.100800       2.797200      1.5900001E-02
 C   -4.883000      0.6759000     -0.3370000    
 C    2.989200      0.6828000      0.2544000    
 C   -4.461000       3.048800     -0.1656000    
 C   -5.350200       1.990500     -0.3419000    
 C    3.848700       1.458400       1.036400    
 C    3.491800     -2.0999999E-03 -0.8549000    
 C    5.700300      0.8639000     -0.3969000    
 C    5.202100       1.549000      0.7112000    
 C    4.845300      8.8399999E-02  -1.179900    
 C    7.147100      0.9615000     -0.7451000    
 H    2.182900      -1.962600      0.5735000    
 H    1.271200       1.398600       1.087000    
 H   -2.430100       3.641400      0.1508000    
 H   -5.598800     -0.1297000     -0.4766000    
 H   -4.827400       4.071400     -0.1696000    
 H   -6.408700       2.189300     -0.4831000    
 H   -1.607800      -4.592400     -0.1222000    
 H   -2.979900      -3.524600     -0.2667000    
 H    3.473000       1.996900       1.902900    
 H    2.846100     -0.5926000      -1.499300    
 H    5.857900       2.157800       1.327900    
 H    5.220400     -0.4439000      -2.050100    
 H    7.313900       1.802700      -1.425200    
 H    7.760300       1.107500      0.1508000    
 H    7.500100      4.4100001E-02  -1.228300    


%chk=000067193-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000067193

0 1
Br 0.933388 -4.636706 0.109611
O -0.406261 2.260225 0.270410
O -3.973688 -1.957705 -0.179567
N 1.583122 0.663052 0.184090
N -2.048981 -3.656872 -0.141669
C -0.728634 -0.134091 0.071460
C -1.659821 -1.237747 -0.016369
C 0.690580 -0.391448 0.106548
C -2.673526 1.494612 0.055389
C -3.590744 0.409676 -0.051584
C -1.216420 1.246963 0.135402
C -3.109481 -0.993253 -0.086076
C -1.186764 -2.599644 -0.043979
C 1.144238 -1.755580 0.126392
C 0.239569 -2.799152 0.053883
C -3.161056 2.827137 0.091514
C -4.983773 0.671619 -0.121724
C 2.994600 0.653226 0.034474
C -4.543451 3.077582 0.019035
C -5.458518 1.995612 -0.087686
C 3.747546 1.596938 0.785556
C 3.680502 -0.189868 -0.882306
C 5.844643 0.826283 -0.259817
C 5.145405 1.678346 0.635338
C 5.082178 -0.103634 -1.012480
C 7.349245 0.934585 -0.433220
H 2.209431 -1.964087 0.241726
H 1.078401 1.582456 0.310593
H -2.432758 3.639061 0.176243
H -5.663870 -0.181650 -0.201716
H -4.915913 4.107406 0.045479
H -6.534516 2.193416 -0.142937
H -1.693204 -4.611927 -0.148832
H -3.057029 -3.408818 -0.191346
H 3.227782 2.252443 1.493434
H 3.120744 -0.877402 -1.524518
H 5.705394 2.410376 1.229813
H 5.590298 -0.761275 -1.728325
H 7.608760 1.669288 -1.220585
H 7.841211 1.266630 0.498152
H 7.794570 -0.031970 -0.727905


