%chk=000030575.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030575

0 1
 Br   3.704100      -4.199800      0.5470000    
 O    2.829500      -1.214300      0.3785000    
 C   -3.328600      0.3488000     -0.4468000    
 C   -4.411300     -0.5741000      0.1395000    
 C   -3.340000       1.721800      0.2478000    
 C   -5.791600      7.8400001E-02  8.3300002E-02
 C   -4.724700       2.364800      0.1912000    
 C   -5.797300       1.443500      0.7650000    
 C   -1.954100     -0.2937000     -0.4043000    
 C   -1.378400     -0.6194000      0.8217000    
 C   -1.273500     -0.5548000      -1.591200    
 C   0.5691000      -1.472000     -0.3260000    
 C  -0.1150000      -1.209200      0.8608000    
 C  -1.0200000E-02  -1.144800      -1.552000    
 C    1.919500      -2.103000     -0.2842000    
 C    2.921300      2.2700001E-02 -0.3053000    
 C    1.904200      -3.445800      0.4535000    
 C    3.896500      0.9246000      0.4380000    
 C    4.056300       2.275600     -0.2558000    
 C    5.068600       3.158800      0.4731000    
 C    5.255700       4.491800     -0.2339000    
 H   -3.590300      0.5207000      -1.501000    
 H   -4.184800     -0.8263000       1.183000    
 H   -4.436000      -1.522200     -0.4120000    
 H   -2.610700       2.389700     -0.2274000    
 H   -3.039100       1.629200       1.299000    
 H   -6.099400      0.1914000     -0.9635000    
 H   -6.527900     -0.5762000      0.5631000    
 H   -4.714900       3.309400      0.7466000    
 H   -4.971400       2.609000     -0.8494000    
 H   -6.782700       1.908800      0.6495000    
 H   -5.629000       1.314200       1.841200    
 H   -1.891900     -0.4210000       1.758100    
 H   -1.711100     -0.3054000      -2.553900    
 H   0.3228000      -1.443400       1.827100    
 H   0.5106000      -1.342500      -2.485100    
 H    2.301100      -2.277800      -1.299600    
 H    3.277300     -0.1453000      -1.328800    
 H    1.960800      0.5457000     -0.3441000    
 H    4.867900      0.4201000      0.5149000    
 H    3.549500       1.065900       1.469300    
 H    1.270400      -4.185800     -4.3499999E-02
 H    1.603400      -3.351800       1.500800    
 H    4.385400       2.119500      -1.290400    
 H    3.086300       2.785700     -0.2990000    
 H    6.035900       2.646300      0.5326000    
 H    4.733000       3.339100       1.500900    
 H    4.312300       5.044800     -0.2842000    
 H    5.623900       4.346500      -1.254500    
 H    5.982400       5.107800      0.3049000    


%chk=000030575-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030575

0 1
Br 3.712753 -4.202660 -0.150815
O 2.808919 -1.033417 0.255030
C -3.683315 0.104431 -0.450744
C -4.564620 -0.630128 0.602004
C -3.741109 1.643622 -0.218832
C -6.018016 -0.099280 0.600783
C -5.195131 2.171249 -0.217194
C -6.062627 1.430344 0.827527
C -2.246763 -0.412441 -0.466261
C -1.412977 -0.306940 0.680407
C -1.694533 -0.997099 -1.634096
C 0.461115 -1.350848 -0.512839
C -0.082060 -0.769231 0.660713
C -0.359497 -1.459408 -1.660125
C 1.901050 -1.879117 -0.522500
C 3.123157 0.246941 -0.404524
C 1.933080 -3.265834 0.128723
C 4.126607 0.988808 0.482494
C 4.534612 2.358111 -0.108146
C 5.551839 3.112995 0.778094
C 5.953970 4.484970 0.195380
H -4.129025 -0.095033 -1.449097
H -4.123831 -0.487029 1.610058
H -4.550432 -1.718996 0.401918
H -3.143751 2.157366 -0.996815
H -3.266073 1.881553 0.755188
H -6.493086 -0.336170 -0.374162
H -6.609367 -0.620768 1.378364
H -5.199325 3.260598 -0.018017
H -5.638586 2.029454 -1.224887
H -7.107762 1.793550 0.785666
H -5.683213 1.659151 1.845264
H -1.807436 0.146118 1.597909
H -2.315645 -1.083343 -2.534297
H 0.559033 -0.663844 1.543698
H 0.047018 -1.899217 -2.580256
H 2.255404 -1.956639 -1.574300
H 3.557625 0.046568 -1.409478
H 2.194833 0.843328 -0.539110
H 5.021083 0.350723 0.617170
H 3.679887 1.129739 1.486159
H 1.184957 -3.939279 -0.313580
H 1.808386 -3.194344 1.219857
H 4.970486 2.213873 -1.119017
H 3.631983 2.990216 -0.244396
H 6.456077 2.484647 0.908765
H 5.120134 3.250727 1.790323
H 5.071447 5.143457 0.085866
H 6.413549 4.371794 -0.804756
H 6.683077 5.002730 0.845384


