%chk=000039307.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039307

0 1
 Br  -2.100600       4.076100     -0.5869000    
 O    2.590900       2.104000      0.5604000    
 O   -3.764000       1.354000     -0.5549000    
 N    2.401900      -1.168800     -0.4427000    
 C  -0.5259000      0.2475000      0.2062000    
 C   0.8174000      0.4918000      0.4303000    
 C    1.787700     -0.5929000      0.7551000    
 C   -1.385300       1.318100     -9.5600002E-02
 C   -1.287300     -0.9829000      0.2197000    
 C   -2.631800     -0.6964000     -7.3500000E-02
 C    1.273900       1.813200      0.3471000    
 C   -2.742400      0.7628000     -0.2828000    
 C    3.343200      -2.225200     -7.4900001E-02
 C    3.075600     -0.1298000      -1.219600    
 C  -0.9613000       2.628600     -0.1837000    
 C   0.3937000       2.869700      4.3400001E-02
 C  -0.9042000      -2.290200      0.4617000    
 C   -3.616000      -1.661800     -0.1362000    
 C    2.645900      -3.342500      0.6825000    
 C    3.719900     -0.7084000      -2.467900    
 C   -1.883700      -3.289500      0.4043000    
 C   -3.224800      -2.978200      0.1085000    
 C    2.977100       2.400800       1.899300    
 H    2.582500     -0.2025000       1.404300    
 H    1.300900      -1.300700       1.422200    
 H    3.770800      -2.701800     -0.9626000    
 H    4.176800      -1.837600      0.5246000    
 H    2.361900      0.6043000      -1.603400    
 H    3.853100      0.3834000     -0.6421000    
 H   0.7888000       3.882300     -1.2700000E-02
 H   9.5799997E-02  -2.603700      0.6845000    
 H   -4.646600      -1.417800     -0.3642000    
 H    2.310900      -3.058200       1.682800    
 H    1.812500      -3.758400      0.1090000    
 H    3.356600      -4.165100      0.8300000    
 H    4.640800      -1.258200      -2.249400    
 H    3.033100      -1.363000      -3.015500    
 H    4.001400      0.1059000      -3.145600    
 H   -1.605900      -4.324300      0.5890000    
 H   -3.962400      -3.775500      7.0500001E-02
 H    2.467700       1.761200       2.627500    
 H    2.756000       3.450000       2.118200    
 H    4.055700       2.244800       1.988400    


%chk=000039307-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039307

0 1
Br -2.145840 4.194015 0.352624
O 2.631920 1.977875 1.302243
O -3.830367 1.451552 -0.259867
N 2.370205 -1.413035 -0.201181
C -0.457500 0.254548 0.323248
C 0.881794 0.448377 0.714724
C 1.856572 -0.683668 1.004825
C -1.389425 1.350281 0.223727
C -1.197298 -0.999482 -0.008202
C -2.566596 -0.671979 -0.230274
C 1.289938 1.809299 0.945772
C -2.753018 0.811836 -0.109118
C 3.404763 -2.410560 0.200700
C 2.883461 -0.489024 -1.255964
C -0.947682 2.653869 0.470972
C 0.398245 2.900683 0.820362
C -0.765342 -2.332015 -0.157554
C -3.523678 -1.645878 -0.551532
C 2.881938 -3.537118 1.113203
C 3.079041 -1.177089 -2.619901
C -1.731476 -3.323346 -0.475429
C -3.096339 -2.993291 -0.661076
C 3.123000 3.338103 1.554191
H 2.701409 -0.270815 1.600378
H 1.336363 -1.425502 1.639270
H 3.796731 -2.868548 -0.724091
H 4.268792 -1.900691 0.703300
H 2.137202 0.315808 -1.376973
H 3.836596 0.001896 -0.933378
H 0.727875 3.925941 0.999207
H 0.300004 -2.574524 -0.097277
H -4.566790 -1.357511 -0.717750
H 2.582459 -3.173444 2.111743
H 2.014663 -4.043639 0.652950
H 3.676128 -4.291193 1.263530
H 3.897641 -1.918866 -2.612003
H 2.149205 -1.689892 -2.923060
H 3.327614 -0.422086 -3.388444
H -1.410375 -4.364777 -0.592789
H -3.817714 -3.780044 -0.907243
H 2.583693 3.806570 2.398949
H 3.028073 3.969562 0.650685
H 4.184415 3.212901 1.811802


