%chk=000158653.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158653

0 1
 Br   5.578000      0.8397000     -2.5100000E-02
 F   0.7039000       2.503400     -0.7522000    
 O   -1.265600       2.290300      0.5118000    
 O  -0.7436000      -2.215300     -0.4754000    
 O    3.920100      -1.684400      0.7626000    
 N  -0.4985000      9.7199999E-02  1.4200000E-02
 C   -2.744000      0.4933000      0.1483000    
 C   -2.593100     -0.8066000     -9.8099999E-02
 C   -4.050500       1.174600      0.3327000    
 C   -3.708800      -1.771500     -0.2701000    
 C   -5.186300      0.1543000      0.5155000    
 C   -5.051700      -1.041400     -0.4384000    
 C   -1.414800       1.110100      0.2411000    
 C   -1.158400      -1.100400     -0.2040000    
 C   0.9242000      0.2637000      6.6000000E-03
 C    1.755000     -0.7923000      0.3900000    
 C    1.488600       1.480700     -0.3837000    
 C    3.140600     -0.6323000      0.3831000    
 C    2.874300       1.640800     -0.3907000    
 C    3.700200      0.5843000     -7.1999999E-03
 C    4.330400      -2.588300     -0.2609000    
 H   -4.020600       1.839900       1.202700    
 H   -4.254700       1.795200     -0.5478000    
 H   -3.535600      -2.412200      -1.141800    
 H   -3.754400      -2.422200      0.6111000    
 H   -5.181100     -0.2132000       1.550000    
 H   -6.151700      0.6494000      0.3603000    
 H   -5.143300     -0.6840000      -1.472400    
 H   -5.874700      -1.746000     -0.2729000    
 H    1.346000      -1.740900      0.7262000    
 H    3.292100       2.596300     -0.6970000    
 H    4.806300      -2.061200      -1.093400    
 H    3.469500      -3.157600     -0.6258000    
 H    5.053200      -3.287100      0.1692000    


%chk=000158653-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158653

0 1
Br 5.655449 0.881693 -0.272644
F 0.653649 2.310613 -1.352903
O -1.114629 2.139785 1.027432
O -0.693339 -2.101960 -0.987232
O 4.011861 -1.505833 1.026161
N -0.497854 0.086187 -0.036589
C -2.792455 0.459207 0.299757
C -2.668440 -0.778351 -0.268576
C -4.093623 1.096710 0.692786
C -3.816280 -1.682648 -0.614492
C -5.227745 0.035805 0.680181
C -5.147539 -0.884515 -0.567247
C -1.426273 1.053760 0.491002
C -1.214251 -1.072050 -0.496545
C 0.915330 0.250259 -0.092708
C 1.787205 -0.710354 0.463616
C 1.490550 1.375238 -0.728738
C 3.189907 -0.552410 0.400226
C 2.876471 1.582904 -0.779280
C 3.725855 0.609055 -0.215591
C 4.462990 -2.607617 0.144191
H -3.999999 1.575790 1.685840
H -4.323887 1.921054 -0.013313
H -3.656919 -2.139185 -1.609736
H -3.846541 -2.530527 0.100539
H -5.153808 -0.586883 1.593859
H -6.209633 0.542204 0.713815
H -5.232325 -0.263870 -1.481209
H -6.001263 -1.586549 -0.573563
H 1.383631 -1.594651 0.963601
H 3.271786 2.478234 -1.264855
H 5.081754 -2.217966 -0.685645
H 3.594320 -3.161768 -0.260236
H 5.067042 -3.265062 0.786595


