%chk=000037225.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037225

0 1
 Br   6.681300     -0.2111000      0.2285000    
 O   -1.817700     -0.3549000     -0.1024000    
 O   0.7030000      0.1707000      6.4499997E-02
 O    4.964300       2.357600      0.5382000    
 O   -1.483500      -2.601900     -0.4169000    
 N   -5.376800      0.6156000     -0.1075000    
 C   -3.933300      0.7760000     -1.4500000E-02
 C   -5.863500     -0.3055000      0.9223000    
 C   -6.050900       1.910600      1.3400000E-02
 C   -3.232500     -0.5626000     -0.1836000    
 C    2.613800      -1.029900     -3.9000001E-02
 C    1.513000      -1.910800     -0.2064000    
 C   0.3801000      -1.133600     -0.1354000    
 C    2.062900      0.2371000      0.1239000    
 C   -7.359800     -0.5342000      0.7913000    
 C   -5.562500       2.884900      -1.045200    
 C   -1.001700      -1.463100     -0.2340000    
 C    4.013000      -1.162900     -7.1999999E-03
 C    2.812100       1.396100      0.3189000    
 C    1.573000      -3.370400     -0.4155000    
 C    4.201200       1.240600      0.3475000    
 C    4.793300     -1.4800000E-02  0.1875000    
 C    5.371200       3.066700     -0.6283000    
 H   -3.630200       1.236100      0.9358000    
 H   -3.539100       1.421400     -0.8072000    
 H   -5.625000      4.4199999E-02   1.934500    
 H   -5.429300      -1.301300      0.8028000    
 H   -5.915400       2.351300       1.009300    
 H   -7.126800       1.802500     -0.1582000    
 H   -3.475700      -1.266000      0.6164000    
 H   -3.475600      -1.009000      -1.155100    
 H   -7.655800      -1.390200       1.408600    
 H   -7.647600     -0.7624000     -0.2407000    
 H   -7.946200      0.3195000       1.144300    
 H   -4.569000       3.285100     -0.8203000    
 H   -5.549300       2.431100      -2.042200    
 H   -6.239700       3.745600      -1.089600    
 H    4.473800      -2.138700     -0.1315000    
 H    2.338800       2.363400      0.4423000    
 H    1.044000      -3.896400      0.3860000    
 H    1.109900      -3.642100      -1.369900    
 H    2.602600      -3.740500     -0.4305000    
 H    4.510000       3.568100      -1.081300    
 H    5.839500       2.402200      -1.361000    
 H    6.099300       3.826500     -0.3310000    


%chk=000037225-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037225

0 1
Br 6.842479 -0.459736 0.269154
O -1.844824 -0.131200 -0.181758
O 0.793210 0.408782 0.054798
O 5.289997 2.253122 0.753485
O -1.461878 -2.386290 -0.691113
N -5.479939 0.689221 0.206749
C -4.008287 0.849494 0.304474
C -6.047102 -0.109372 1.328581
C -6.201291 1.968023 -0.028911
C -3.314001 -0.355922 -0.340352
C 2.661752 -0.952937 -0.130450
C 1.492508 -1.782563 -0.367034
C 0.393877 -0.930142 -0.247558
C 2.191694 0.369248 0.120452
C -7.358120 -0.827029 0.955351
C -6.038606 2.491880 -1.468258
C -1.030908 -1.236938 -0.398579
C 4.057172 -1.204414 -0.097515
C 3.033752 1.454617 0.390671
C 1.478649 -3.253375 -0.676394
C 4.423859 1.200066 0.412767
C 4.915451 -0.126466 0.171618
C 5.912095 2.955576 -0.391587
H -3.656266 0.961825 1.356655
H -3.698816 1.762319 -0.233207
H -6.206106 0.525010 2.237382
H -5.298043 -0.872520 1.611794
H -5.883504 2.756137 0.700092
H -7.274898 1.784618 0.157251
H -3.586425 -1.313166 0.138483
H -3.550186 -0.421818 -1.416536
H -7.719825 -1.435656 1.805060
H -7.193858 -1.489490 0.087912
H -8.159772 -0.113737 0.691464
H -4.982729 2.709560 -1.712148
H -6.406633 1.741203 -2.189020
H -6.611770 3.427864 -1.605374
H 4.460770 -2.206132 -0.267739
H 2.659667 2.460412 0.594878
H 0.875059 -3.809882 0.061779
H 1.011862 -3.449762 -1.657819
H 2.501128 -3.666900 -0.682405
H 5.133781 3.419906 -1.027433
H 6.529728 2.264219 -0.994122
H 6.548495 3.732946 0.056061


