%chk=000030576.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030576

0 1
 Br   2.435200      -4.967400     -0.4564000    
 O    2.230400      -1.724100      0.3838000    
 C   -3.720100      0.6511000      0.4503000    
 C   -3.551300       2.117100      1.4300000E-02
 C   -4.914700     -2.6000000E-03 -0.2661000    
 C   -4.839600       2.912400      0.2189000    
 C   -6.197300      0.8016000     -6.0300000E-02
 C   -6.023900       2.256800     -0.4852000    
 C   -2.442600     -0.1462000      0.2599000    
 C   -1.912500     -0.3186000      -1.018800    
 C   -1.799000     -0.7068000       1.363200    
 C  -9.5100001E-02  -1.612000     -9.0899996E-02
 C  -0.7388000      -1.051400      -1.194100    
 C  -0.6253000      -1.439700       1.187800    
 C    1.176400      -2.407300     -0.2815000    
 C    3.846700      4.3699998E-02  0.3729000    
 C    2.724500     -0.6427000     -0.3944000    
 C    4.413500       1.230300     -0.4050000    
 C    1.036300      -3.818400      0.2781000    
 C    5.568600       1.933600      0.3132000    
 C    6.119300       3.136200     -0.4542000    
 C    7.309100       3.754500      0.2645000    
 H   -3.956200      0.6610000       1.524300    
 H   -3.265400       2.178300      -1.043300    
 H   -2.740400       2.587900      0.5840000    
 H   -5.063600      -1.023800      0.1064000    
 H   -4.723400     -8.8500001E-02  -1.343100    
 H   -5.051800       2.993500       1.292100    
 H   -4.705900       3.932900     -0.1577000    
 H   -7.013300      0.3456000     -0.6321000    
 H   -6.487300      0.7617000      0.9969000    
 H   -6.939700       2.816600     -0.2644000    
 H   -5.874300       2.304100      -1.570900    
 H   -2.396600      0.1090000      -1.892200    
 H   -2.198400     -0.5804000       2.365800    
 H  -0.3375000      -1.176500      -2.196300    
 H  -0.1340000      -1.863400       2.059500    
 H    1.402400      -2.480200      -1.354500    
 H    4.639800     -0.6836000      0.5860000    
 H    3.472800      0.3758000       1.349300    
 H    3.612200       1.956500     -0.5898000    
 H    4.761700      0.8868000      -1.387100    
 H    1.929400      8.3300002E-02 -0.5959000    
 H    3.109300      -1.020400      -1.349200    
 H   9.3699999E-02  -4.293900     -9.3999999E-03
 H    1.162600      -3.862000       1.363800    
 H    6.375600       1.209100      0.4799000    
 H    5.229700       2.262200       1.303600    
 H    5.333800       3.890900     -0.5746000    
 H    6.428600       2.825400      -1.458800    
 H    8.124600       3.031400      0.3679000    
 H    7.027000       4.100300       1.264000    
 H    7.686600       4.613800     -0.2986000    


%chk=000030576-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000030576

0 1
Br 2.536674 -5.055452 -0.420444
O 2.338363 -1.790899 0.175810
C -3.789469 0.679652 0.430982
C -3.679916 2.054784 -0.295644
C -5.101160 -0.042403 0.012246
C -4.922796 2.938909 -0.039360
C -6.343549 0.842810 0.274284
C -6.226256 2.209533 -0.441800
C -2.533490 -0.157174 0.199960
C -2.247939 -0.729482 -1.068134
C -1.579290 -0.333190 1.236037
C -0.107726 -1.616246 -0.249398
C -1.054177 -1.449037 -1.289211
C -0.383451 -1.049902 1.019622
C 1.183980 -2.410884 -0.479297
C 3.998124 -0.018153 0.269885
C 2.781008 -0.552616 -0.489850
C 4.529493 1.297922 -0.342967
C 1.031232 -3.808232 0.128964
C 5.753199 1.866563 0.410662
C 6.272618 3.192684 -0.190017
C 7.494716 3.758358 0.565567
H -3.862671 0.889912 1.519866
H -3.572257 1.875186 -1.385443
H -2.759626 2.575152 0.033171
H -5.187883 -1.002535 0.556691
H -5.058551 -0.290799 -1.068205
H -4.969235 3.200067 1.038515
H -4.828415 3.892300 -0.594767
H -7.258960 0.313875 -0.054984
H -6.447351 1.012326 1.366406
H -7.106128 2.840027 -0.208537
H -6.229068 2.047660 -1.539947
H -2.958491 -0.605547 -1.893831
H -1.777160 0.104561 2.222678
H -0.850808 -1.874852 -2.280565
H 0.357232 -1.154449 1.820923
H 1.367436 -2.501361 -1.572927
H 4.791139 -0.790423 0.265590
H 3.715087 0.145665 1.328003
H 3.719910 2.057995 -0.346507
H 4.802776 1.128704 -1.405724
H 1.957050 0.193588 -0.488182
H 3.044306 -0.778589 -1.547626
H 0.112794 -4.302996 -0.218345
H 1.070619 -3.769955 1.228111
H 6.570761 1.115976 0.404631
H 5.487043 2.027629 1.476249
H 5.453275 3.940576 -0.182882
H 6.536539 3.031220 -1.255257
H 8.337549 3.041728 0.548037
H 7.247713 3.957795 1.625607
H 7.846988 4.705519 0.116953


