%chk=000177093.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177093

0 1
 Br   3.646000      -1.829500      -2.065700    
 Br -0.4510000       3.331200       1.366700    
 O    1.827800      -1.251100       1.346200    
 O  -5.6100000E-02  0.5343000      0.3835000    
 C   0.9440000      -1.551300      0.2370000    
 C    2.995100     -0.8920000      0.6307000    
 C  -0.3096000     -0.8906000      0.6748000    
 C    1.611100      -2.806100     -0.1978000    
 C    3.060700      -2.180400     -0.2562000    
 C    2.579300      0.5460000      0.1353000    
 C    1.224100       1.127600      0.7920000    
 C   -1.523500      -1.326700     -0.1222000    
 C    1.109300       2.607800      0.4281000    
 C   -2.774300     -0.5871000      0.3585000    
 C   0.9600000       2.801700      -1.079100    
 C   -4.008300     -0.9758000     -0.4563000    
 C   -5.258700     -0.2584000      5.1600002E-02
 C   0.9179000       4.268000      -1.492300    
 C   -6.493900     -0.6676000     -0.7347000    
 H    1.107200     -0.9722000     -0.6898000    
 H    3.844400     -0.8332000       1.318600    
 H  -0.4894000     -0.9762000       1.753100    
 H    1.566200      -3.581900      0.5743000    
 H    1.249700      -3.204600      -1.149000    
 H    3.776800      -2.900600      0.1539000    
 H    3.407500       1.223200      0.3805000    
 H    2.505900      0.5461000     -0.9544000    
 H    1.293200       1.038600       1.884700    
 H   -1.670700      -2.408100     -1.8999999E-02
 H   -1.373500      -1.109200      -1.187200    
 H    1.968000       3.169600      0.8113000    
 H   -2.948000     -0.8143000       1.417600    
 H   -2.625700      0.4967000      0.2826000    
 H   5.5900000E-02   2.309900      -1.458000    
 H    1.807300       2.362900      -1.613100    
 H   -3.845400     -0.7293000      -1.512500    
 H   -4.158600      -2.060700     -0.3973000    
 H   -5.416300     -0.4891000       1.111700    
 H   -5.123500      0.8266000     -2.7700000E-02
 H   0.9389000       4.347000      -2.584500    
 H    1.783500       4.812300      -1.101000    
 H   8.1000002E-03   4.768800      -1.150300    
 H   -6.382200     -0.4229000      -1.795700    
 H   -7.375900     -0.1418000     -0.3557000    
 H   -6.676200      -1.743500     -0.6473000    


%chk=000177093-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000177093

0 1
Br 3.685081 -1.862203 -2.175745
Br -0.120822 3.436631 1.739052
O 1.937494 -1.272829 1.489665
O -0.003463 0.449124 0.377905
C 1.023264 -1.645558 0.342578
C 3.085565 -0.883750 0.660120
C -0.296691 -0.994985 0.753277
C 1.757201 -2.917389 -0.110009
C 3.185003 -2.212695 -0.226680
C 2.654404 0.512978 0.054684
C 1.312383 1.066581 0.746424
C -1.545700 -1.394098 -0.034635
C 1.152982 2.554950 0.371909
C -2.797297 -0.578817 0.361061
C 0.653615 2.840558 -1.051904
C -4.045807 -0.965081 -0.461610
C -5.301821 -0.152980 -0.070857
C 0.724390 4.324376 -1.461951
C -6.547270 -0.532493 -0.900596
H 1.229663 -0.998230 -0.535791
H 3.979276 -0.794069 1.297957
H -0.457991 -1.061091 1.846198
H 1.784154 -3.713831 0.651953
H 1.428681 -3.325477 -1.078818
H 4.004705 -2.857161 0.122953
H 3.445146 1.252927 0.285657
H 2.563863 0.487233 -1.045374
H 1.452875 0.974260 1.838077
H -1.729680 -2.473918 0.142902
H -1.343983 -1.269194 -1.117444
H 2.097527 3.087927 0.581650
H -3.005350 -0.729106 1.441100
H -2.576767 0.497459 0.232345
H -0.372230 2.447899 -1.154294
H 1.286012 2.241020 -1.740900
H -3.836244 -0.813494 -1.541460
H -4.257469 -2.048223 -0.334929
H -5.512755 -0.305358 1.007321
H -5.087158 0.927898 -0.194500
H 0.394961 4.453172 -2.508739
H 1.756151 4.716535 -1.381035
H 0.073891 4.943485 -0.820010
H -6.372262 -0.359339 -1.979427
H -7.430098 0.062319 -0.602065
H -6.800327 -1.601862 -0.770112


