%chk=000102858.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102858

0 1
 Br  -4.055100     -0.9316000      -1.246100    
 O   -1.475600       1.842300     -0.1337000    
 O   -3.506800       1.311300      0.7178000    
 C   0.7351000     -0.7888000      2.5400000E-02
 C    2.072900     -0.3708000      0.6429000    
 C  -0.4124000      -1.022100       1.013700    
 C    3.155700     -7.1800001E-02 -0.3958000    
 C   -1.765200      -1.383900      0.3884000    
 C    4.491400      0.2506000      0.2755000    
 C   -2.298300     -0.3463000     -0.5940000    
 C    5.582700      0.5111000     -0.7508000    
 C   -2.524400       1.000100      5.6600001E-02
 H   0.8854000      -1.705600     -0.5585000    
 H   0.4456000     -1.3300000E-02 -0.6920000    
 H    1.917700      0.5185000       1.266100    
 H    2.415900      -1.169900       1.311600    
 H  -0.1238000      -1.832700       1.694900    
 H  -0.5299000     -0.1310000       1.642400    
 H    2.841400      0.7704000      -1.023600    
 H    3.277200     -0.9395000      -1.055500    
 H   -2.482900      -1.533700       1.206000    
 H   -1.670200      -2.352900     -0.1185000    
 H    4.381600       1.132100      0.9177000    
 H    4.797000     -0.5832000      0.9182000    
 H   -1.688300     -0.2463000      -1.495500    
 H    5.740200     -0.3657000      -1.387100    
 H    5.323100       1.359400      -1.392200    
 H    6.527800      0.7411000     -0.2490000    
 H   -1.615800       2.706600      0.3086000    


%chk=000102858-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102858

0 1
Br -4.046903 -1.004320 -1.375000
O -2.632928 2.090249 -0.641450
O -3.068274 1.072183 1.404815
C 0.771679 -0.662846 -0.019358
C 2.141518 -0.405100 0.648553
C -0.352939 -0.922793 1.010381
C 3.274602 -0.131806 -0.366227
C -1.712037 -1.357247 0.393620
C 4.645079 0.122104 0.302282
C -2.317190 -0.290417 -0.521788
C 5.771219 0.394947 -0.718266
C -2.721349 0.982512 0.208436
H 0.855515 -1.535511 -0.700705
H 0.517351 0.209052 -0.656774
H 2.054801 0.457203 1.342409
H 2.413093 -1.280959 1.274373
H -0.031571 -1.733118 1.694688
H -0.501016 -0.026336 1.644152
H 3.005428 0.745468 -0.991215
H 3.361337 -0.993124 -1.061468
H -2.430885 -1.576454 1.203105
H -1.572114 -2.282748 -0.195044
H 4.557466 0.982582 0.996812
H 4.913899 -0.754454 0.926576
H -1.698763 -0.046709 -1.397008
H 5.902794 -0.464370 -1.402766
H 5.538592 1.282590 -1.336524
H 6.738813 0.577423 -0.215608
H -2.935217 2.906399 -0.157502


