%chk=000134491.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134491

0 1
 Br   4.795100       2.031000      -1.094100    
 O    3.401200     -0.2433000       1.925900    
 O  -0.6530000      -2.591800     -0.5154000    
 O   -6.764400      1.9300001E-02  0.1948000    
 O    4.372400      -1.756400     -0.8011000    
 C  -0.2267000      0.9510000     -0.2184000    
 C    1.205700      0.9104000      0.3388000    
 C    1.991600     -0.3521000     -9.8499998E-02
 C   -1.007300     -0.3021000      0.2887000    
 C   -2.500800     -0.3090000     -0.1973000    
 C   -3.146500       1.037700      0.2763000    
 C    3.385100     -1.9099999E-02  0.5068000    
 C  -0.9405000       2.250900      0.1785000    
 C    2.149000       2.059200     -1.7200001E-02
 C    1.261300      -1.571600      0.4800000    
 C   -2.403200       2.267400     -0.2553000    
 C  -0.1867000      -1.579400      2.7999999E-03
 C    3.551000       1.507000      0.3116000    
 C   -3.301400      -1.460100      0.4802000    
 C   -4.647500       1.122400     -2.8800000E-02
 C    2.083400     -0.5163000      -1.641100    
 C   -2.580500     -0.4704000      -1.736900    
 C   -4.809100      -1.391700      0.2257000    
 C   -5.403500     -4.0399998E-02  0.6090000    
 C    4.521800     -0.8930000      6.2300000E-02
 C    5.853400     -0.6594000      0.7228000    
 H  -0.1814000      0.9420000      -1.311300    
 H    1.108400      0.9118000       1.435800    
 H   -1.036700     -0.2493000       1.388600    
 H   -3.057000       1.074000       1.373700    
 H  -0.4323000       3.113300     -0.2684000    
 H  -0.8886000       2.384400       1.266700    
 H    2.033900       2.338400      -1.070900    
 H    1.933100       2.951100      0.5814000    
 H    1.241900      -1.562600       1.575600    
 H    1.747200      -2.503600      0.1705000    
 H   -2.872300       3.181000      0.1302000    
 H   -2.471000       2.323600      -1.347700    
 H    3.939800       1.997300       1.211600    
 H   -3.131200      -1.432200       1.564700    
 H   -2.951600      -2.439500      0.1393000    
 H   -5.056000       2.064800      0.3593000    
 H   -4.835500       1.155600      -1.108700    
 H    2.444300      -1.507000      -1.932300    
 H    1.105600     -0.4381000      -2.125100    
 H    2.722100      0.2291000      -2.118000    
 H   -2.197800      -1.443000      -2.060100    
 H   -3.606600     -0.4056000      -2.109400    
 H   -2.008900      0.2926000      -2.270900    
 H   -5.031800      -1.614100     -0.8250000    
 H   -5.313900      -2.182500      0.7947000    
 H   -5.384800      6.2199999E-02   1.700800    
 H    2.960000      0.4940000       2.378500    
 H    5.914100      0.3202000       1.201100    
 H    6.011300      -1.429500       1.482600    
 H    6.643900     -0.7218000     -3.0300001E-02
 H   -7.119700      0.8799000      0.4751000    


%chk=000134491-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000134491

0 1
Br 4.889165 1.945318 -1.332520
O 3.361393 -0.157937 1.978163
O -0.670950 -2.554537 -0.695471
O -6.835670 -0.129977 0.381316
O 4.478150 -1.911484 -0.664353
C -0.224707 1.011221 -0.275958
C 1.212324 0.954596 0.280013
C 1.999822 -0.327966 -0.150754
C -1.008983 -0.269918 0.208590
C -2.514989 -0.283582 -0.243852
C -3.159764 1.054169 0.282035
C 3.401736 -0.022534 0.489512
C -0.950966 2.302571 0.170511
C 2.188792 2.114060 -0.054677
C 1.262291 -1.576843 0.394032
C -2.436859 2.312689 -0.243930
C -0.196526 -1.555815 -0.091678
C 3.601387 1.514620 0.212033
C -3.267943 -1.464019 0.454946
C -4.686466 1.102635 0.033482
C 2.101423 -0.444891 -1.699064
C -2.625358 -0.421199 -1.787844
C -4.801665 -1.423670 0.254784
C -5.397155 -0.086379 0.711282
C 4.598432 -0.961043 0.146106
C 5.880193 -0.723753 0.922987
H -0.181492 1.007594 -1.382702
H 1.080289 0.927930 1.390805
H -1.010372 -0.199848 1.325345
H -3.016019 1.043196 1.389705
H -0.429400 3.183360 -0.252421
H -0.884063 2.389646 1.277105
H 2.081187 2.408491 -1.112308
H 2.021378 3.017457 0.556054
H 1.276220 -1.582762 1.503488
H 1.733353 -2.509604 0.041998
H -2.930435 3.219265 0.159155
H -2.525416 2.371454 -1.346727
H 4.126702 1.966766 1.066755
H -3.045648 -1.428169 1.544178
H -2.874438 -2.423036 0.079760
H -5.087962 2.059418 0.430885
H -4.916254 1.085679 -1.049665
H 2.703830 -1.326633 -1.962800
H 1.100019 -0.574845 -2.145765
H 2.572570 0.436121 -2.164854
H -2.219704 -1.395717 -2.104959
H -3.674314 -0.365083 -2.123600
H -2.070257 0.370107 -2.322456
H -5.065032 -1.576407 -0.808742
H -5.277189 -2.246974 0.819178
H -5.269359 0.012426 1.815292
H 2.493855 0.190090 2.310747
H 6.198831 0.331592 0.866297
H 5.698346 -0.951839 1.988835
H 6.674049 -1.376341 0.528843
H -7.251981 0.727034 0.655082


