%chk=000100570.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100570

0 1
 Br   7.127200      -3.632300      0.2441000    
 O   -3.354400       1.274000     -0.5564000    
 O   -5.500400      -2.923700     -0.1630000    
 O    4.395500      -2.053100      0.2410000    
 C   -2.331400       2.153900     -3.2699998E-02
 C  -0.9379000       1.512800      4.6000001E-03
 C  -0.7676000      0.1675000      3.5999998E-02
 C   -2.002700     -0.6496000      2.5800001E-02
 C   -2.786200       2.581400       1.374800    
 C   -2.405200       3.376900     -0.9667000    
 C   -3.229100     -5.5500001E-02 -0.2769000    
 C   0.2259000       2.433400      2.6900001E-02
 C   0.5951000     -0.4180000      8.9800000E-02
 C   -1.979400      -2.031000      0.2788000    
 C   -4.400000     -0.8158000     -0.3536000    
 C   0.8069000       2.837400      -1.169800    
 C   0.7241000       2.883700       1.244200    
 C   -4.360900      -2.183500     -9.8999999E-02
 C    1.258800     -0.7237000      -1.092000    
 C    1.192500     -0.6546000       1.322000    
 C   -3.150800      -2.790700      0.2208000    
 C    1.900400       3.703100      -1.149100    
 C    1.817500       3.749500       1.265000    
 C    2.539300      -1.274500      -1.041000    
 C    2.472900      -1.205400       1.373000    
 C    3.146400      -1.515400      0.1915000    
 C    2.405800       4.159200      6.8400003E-02
 C   -5.384900      -4.319800      0.1096000    
 C    5.273200      -1.758000     -0.8446000    
 C    6.709500      -1.828500     -0.3715000    
 H   -3.824600       2.932900       1.357800    
 H   -2.758500       1.738300       2.075100    
 H   -2.162700       3.383000       1.783300    
 H   -2.109600       3.109200      -1.988100    
 H   -3.436200       3.745300      -1.039000    
 H   -1.782500       4.209600     -0.6238000    
 H   -1.052500      -2.545000      0.5212000    
 H   -5.343900     -0.3385000     -0.6058000    
 H   0.4268000       2.488000      -2.126400    
 H   0.2791000       2.571000       2.185300    
 H   0.7943000     -0.5473000      -2.058900    
 H   0.6787000     -0.4196000       2.250700    
 H   -3.043400      -3.849600      0.4304000    
 H    2.359100       4.021000      -2.080700    
 H    2.211800       4.103700       2.213000    
 H    3.017200      -1.524400      -1.983400    
 H    2.940800      -1.390900       2.336000    
 H    3.257600       4.832600      8.4700003E-02
 H   -5.054300      -4.502800       1.137600    
 H   -4.748200      -4.821900     -0.6267000    
 H   -6.386500      -4.751800      1.4000000E-02
 H    5.105800     -0.7422000      -1.225200    
 H    5.101200      -2.480400      -1.651500    
 H    7.416000      -1.594900      -1.171500    
 H    6.886000      -1.177700      0.4892000    


%chk=000100570-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100570

0 1
Br 6.664938 -4.167570 1.149179
O -3.323981 1.325206 -0.505258
O -5.200733 -3.059389 -0.660662
O 4.667297 -1.639059 0.204266
C -2.432318 2.232547 0.322330
C -0.966279 1.760331 0.191656
C -0.710369 0.401234 0.130336
C -1.839838 -0.549192 0.043210
C -2.931161 2.154385 1.785306
C -2.709625 3.608881 -0.300637
C -3.127484 -0.047165 -0.325159
C 0.111268 2.793768 0.098163
C 0.684163 -0.148074 0.121950
C -1.723223 -1.949643 0.230956
C -4.216129 -0.897574 -0.569953
C 0.971755 2.824550 -1.034625
C 0.294312 3.785071 1.101706
C -4.054314 -2.293305 -0.400952
C 1.119791 -1.032193 -0.897208
C 1.611845 0.195247 1.144797
C -2.807938 -2.826418 0.021167
C 1.980177 3.803627 -1.157300
C 1.305747 4.763489 0.983572
C 2.434138 -1.549619 -0.918540
C 2.919585 -0.318027 1.147956
C 3.336540 -1.189373 0.112484
C 2.153414 4.779325 -0.148213
C -5.104008 -4.508717 -0.470849
C 5.138879 -2.575832 -0.816233
C 6.567958 -2.957793 -0.471526
H -4.002230 2.420871 1.833440
H -2.798043 1.137733 2.193976
H -2.367206 2.857894 2.423607
H -2.342794 3.645830 -1.340004
H -3.798547 3.786519 -0.304972
H -2.219319 4.413626 0.270166
H -0.758795 -2.362744 0.543271
H -5.183861 -0.488561 -0.869831
H 0.839162 2.073622 -1.820925
H -0.341018 3.776885 1.995065
H 0.424428 -1.310853 -1.696946
H 1.296481 0.869957 1.947088
H -2.673768 -3.899469 0.181417
H 2.628311 3.807556 -2.041102
H 1.434150 5.510065 1.775742
H 2.732487 -2.217812 -1.731952
H 3.631341 -0.061922 1.938339
H 2.936663 5.539915 -0.241631
H -4.864359 -4.762585 0.579974
H -4.343804 -4.952922 -1.142431
H -6.099666 -4.898300 -0.728926
H 5.136785 -2.079311 -1.813025
H 4.485090 -3.469292 -0.863909
H 7.033654 -3.532818 -1.286373
H 7.172051 -2.075306 -0.214676


