%chk=000134233.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134233

0 1
 Br   5.442000       3.363500     -0.8427000    
 O    3.912800     -0.3929000     -0.9037000    
 O   -5.729300      0.4937000      -1.537800    
 O    5.536800      0.6206000      0.3779000    
 C  -0.7769000     -0.5989000     -0.2828000    
 C   0.5471000      -1.254700      0.2599000    
 C   -1.495500      0.2568000      0.8139000    
 C   -2.737800      0.8922000      0.1829000    
 C    1.449000     -0.1000000      0.8031000    
 C   -3.731900     -0.1748000     -0.3198000    
 C   -1.746700      -1.589800     -0.9832000    
 C  -0.5525000       1.314800       1.402200    
 C   -3.061100     -0.9404000      -1.455600    
 C   0.7582000      0.7130000       1.904500    
 C    1.321900      -1.957400     -0.8905000    
 C   -3.599200       1.851400      0.9969000    
 C    2.837400     -0.5856000       1.253400    
 C   0.2305000      -2.308900       1.351700    
 C   -4.870900      0.7522000     -0.7047000    
 C    2.724700      -2.430600     -0.4875000    
 C   -4.834200       2.038800      0.1031000    
 C    3.569900      -1.318500      0.1278000    
 C   -4.289100      -1.133700      0.7486000    
 C    4.709200      0.6551000     -0.5215000    
 C    4.385700       1.834100      -1.396000    
 H  -0.4700000      0.1067000      -1.071800    
 H   -1.811300     -0.3895000       1.639200    
 H   -2.385300       1.478800     -0.6835000    
 H    1.619500      0.5999000     -2.8999999E-02
 H   -1.987100      -2.421900     -0.3142000    
 H   -1.259800      -2.029700      -1.860600    
 H   -1.042800       1.835300       2.233200    
 H  -0.3287000       2.075100      0.6427000    
 H    1.414500       1.529000       2.231400    
 H   0.5721000      9.3099996E-02   2.788800    
 H   -2.849700     -0.2654000      -2.295300    
 H   -3.731600      -1.712300      -1.852700    
 H    1.414800      -1.269800      -1.741400    
 H   0.7635000      -2.827400      -1.255600    
 H   -3.102100       2.808200       1.184400    
 H   -3.875700       1.423700       1.966600    
 H    3.408600      0.2743000       1.618400    
 H    2.738500      -1.256700       2.114500    
 H    1.133600      -2.722700       1.808400    
 H  -0.3713000      -1.903800       2.168800    
 H  -0.3187000      -3.159200      0.9341000    
 H    2.644800      -3.264700      0.2185000    
 H    3.224700      -2.820800      -1.382700    
 H   -4.700500       2.881700     -0.5811000    
 H   -5.744600       2.157200      0.6945000    
 H    4.497000      -1.762600      0.5115000    
 H   -3.512200      -1.737000       1.225400    
 H   -4.828800     -0.6067000       1.542700    
 H   -5.008000      -1.827500      0.2960000    
 H    3.337100       2.118500      -1.288700    
 H    4.643800       1.624500      -2.435800    


%chk=000134233-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000134233

0 1
Br 3.863258 3.176067 -1.450075
O 3.857411 -0.231228 -0.889151
O -5.795581 0.569830 -1.652765
O 5.768507 0.481825 0.258014
C -0.809732 -0.548822 -0.213705
C 0.515041 -1.227519 0.312695
C -1.560189 0.244952 0.912771
C -2.804587 0.904749 0.287883
C 1.407387 -0.081802 0.920738
C -3.779490 -0.128569 -0.352726
C -1.755055 -1.525811 -0.977717
C -0.629417 1.292705 1.572765
C -3.056505 -0.857755 -1.502645
C 0.697047 0.673941 2.063714
C 1.305741 -1.846215 -0.883839
C -3.726908 1.822599 1.135228
C 2.812776 -0.569686 1.340652
C 0.197118 -2.337486 1.353478
C -4.965634 0.777589 -0.735287
C 2.721882 -2.339917 -0.502397
C -4.970714 1.997746 0.216296
C 3.561989 -1.258704 0.187558
C -4.374866 -1.150710 0.669031
C 4.962796 0.580080 -0.697098
C 5.077486 1.593934 -1.821164
H -0.481105 0.219312 -0.954615
H -1.889238 -0.463672 1.701466
H -2.431740 1.535649 -0.554283
H 1.561575 0.650612 0.096917
H -2.023578 -2.378495 -0.324467
H -1.215471 -1.957195 -1.841225
H -1.155512 1.785304 2.413846
H -0.402750 2.087217 0.829329
H 1.363973 1.472561 2.446204
H 0.507450 -0.009842 2.916156
H -2.803379 -0.123907 -2.294163
H -3.716230 -1.614548 -1.967229
H 1.397284 -1.082311 -1.681977
H 0.744927 -2.697529 -1.313861
H -3.253175 2.788134 1.381737
H -4.001755 1.337476 2.090836
H 3.414674 0.280679 1.713371
H 2.745944 -1.291592 2.179740
H 1.113384 -2.759481 1.802963
H -0.427252 -1.966069 2.184108
H -0.344983 -3.175275 0.878235
H 2.654325 -3.201308 0.190378
H 3.255217 -2.697753 -1.402746
H -4.891638 2.910740 -0.405707
H -5.935219 2.066818 0.750960
H 4.539706 -1.645281 0.530019
H -3.594411 -1.812133 1.080900
H -4.875048 -0.654114 1.519969
H -5.124177 -1.781195 0.157261
H 4.739961 1.186685 -2.783727
H 6.092874 2.007017 -1.865849


