%chk=000043755.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043755

0 1
 Br   7.486400       1.184300      0.1589000    
 O   -6.528100      0.9023000     -0.3669000    
 O  -0.4306000      -1.016200     -7.7900000E-02
 N   -4.005700     -0.2197000      0.3258000    
 N   0.7241000     -0.2387000      8.0200002E-02
 C   -4.114000      0.9108000     -0.6066000    
 C   -5.221400      -1.042800      0.2627000    
 C   -2.820000      -1.022200      3.2800000E-02
 C   -5.364200       1.726000     -0.2885000    
 C   -6.446000     -0.1817000      0.5592000    
 C   -1.556200     -0.1936000      0.1996000    
 C    3.130600     -0.4583000     -9.2500001E-02
 C    1.755400     -0.9775000     -0.1700000    
 C    4.193000      -1.302800     -0.3741000    
 C    3.338400      0.8655000      0.2622000    
 C    5.496200     -0.8113000     -0.2989000    
 C    4.641600       1.357200      0.3373000    
 C    5.720600      0.5188000      5.6600001E-02
 H   -4.163200      0.5516000      -1.642600    
 H   -3.273800       1.604200     -0.5193000    
 H   -5.171100      -1.853700      0.9982000    
 H   -5.324800      -1.492600     -0.7335000    
 H   -2.855100      -1.449200     -0.9786000    
 H   -2.763300      -1.876800      0.7196000    
 H   -5.307100       2.184900      0.7062000    
 H   -5.479400       2.533300      -1.019100    
 H   -7.356700     -0.7797000      0.4528000    
 H   -6.425500      0.2120000       1.582800    
 H   -1.480300      0.1927000       1.223500    
 H   -1.512100      0.6436000     -0.5027000    
 H    1.638400      -2.039500     -0.4548000    
 H    4.030900      -2.340500     -0.6518000    
 H    2.516500       1.539300      0.4860000    
 H    6.325800      -1.477800     -0.5205000    
 H    4.799400       2.396000      0.6160000    


%chk=000043755-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043755

0 1
Br 7.727079 1.062996 0.378125
O -6.787323 0.817752 -0.113282
O -0.424972 -0.948523 -0.220002
N -4.055174 -0.148462 0.144692
N 0.807758 -0.208249 0.005319
C -4.409115 0.924879 -0.823264
C -5.219196 -1.050636 0.350950
C -2.825861 -0.887882 -0.225599
C -5.632113 1.706898 -0.316297
C -6.428672 -0.240954 0.845219
C -1.569622 -0.065976 0.098434
C 3.215628 -0.474667 -0.077279
C 1.845948 -0.983877 -0.228522
C 4.308348 -1.345535 -0.339537
C 3.488430 0.864759 0.324629
C 5.641829 -0.901694 -0.207864
C 4.813475 1.319602 0.459471
C 5.878771 0.429453 0.190996
H -4.639574 0.498074 -1.832547
H -3.557681 1.620967 -0.934805
H -4.953795 -1.811305 1.109202
H -5.500028 -1.583816 -0.592360
H -2.812343 -1.185215 -1.302886
H -2.787921 -1.818851 0.369772
H -5.377357 2.214511 0.639116
H -5.960824 2.453871 -1.057678
H -7.324807 -0.877379 0.932183
H -6.193239 0.211673 1.832719
H -1.550041 0.204102 1.169488
H -1.490747 0.853381 -0.510557
H 1.708372 -2.031762 -0.541516
H 4.117848 -2.380018 -0.649183
H 2.651713 1.540072 0.528480
H 6.475835 -1.579077 -0.411709
H 5.018070 2.348785 0.768192


