%chk=000039772.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039772

0 1
 Br   1.860700      -2.803600       1.817400    
 O  -0.4916000       2.726500     -0.3768000    
 O   -3.985600      -2.541700      -1.181100    
 O   -1.757500      -2.190300     -0.9005000    
 N   -1.291500      0.5490000     -0.7458000    
 C    1.932300      0.5828000     -0.7816000    
 C    2.534500      -1.239200      0.8616000    
 C    4.258400     -0.4283000     -0.7754000    
 C    3.529300       1.051200       1.132200    
 C    1.413500     -0.6594000     -1.6700000E-02
 C    3.138600      0.1584000      -1.653200    
 C    2.411900       1.633300      0.2485000    
 C    3.720300      -1.657500     -2.2000000E-02
 C    2.993700     -0.1830000       1.879000    
 C    4.711900      0.6321000      0.2424000    
 C   0.8228000       1.167800      -1.659400    
 C  -0.3844000       1.599700     -0.8493000    
 C   -2.537100      0.5477000     -7.4100003E-02
 C   -3.328600     -0.5902000     -6.6600002E-02
 C   -2.940000       1.708100      0.5692000    
 C   -4.553200     -0.5677000      0.6008000    
 C   -4.164600       1.730400       1.236700    
 C   -2.922400      -1.818800     -0.7377000    
 C   -4.971200      0.5927000       1.252500    
 H    5.105500     -0.7224000      -1.405000    
 H    3.860200       1.805600       1.854800    
 H   0.5729000     -0.4011000      0.6371000    
 H    1.051800      -1.416600     -0.7249000    
 H    2.826000     -0.5861000      -2.396800    
 H    3.523500       1.020500      -2.213100    
 H    2.777900       2.531300     -0.2656000    
 H    1.592400       1.953100      0.9025000    
 H    3.416000      -2.428300     -0.7422000    
 H    4.521700      -2.097900      0.5854000    
 H    3.777700     -0.5877000       2.532400    
 H    2.164400      0.1127000       2.534900    
 H    5.523500      0.2323000      0.8626000    
 H    5.113900       1.507200     -0.2827000    
 H   0.5187000      0.4498000      -2.431800    
 H    1.185900       2.052100      -2.198900    
 H   -1.048000     -0.3205000      -1.212000    
 H   -2.380700       2.630200      0.6079000    
 H   -5.199100      -1.440800      0.6439000    
 H   -4.491200       2.632900       1.745500    
 H   -5.923200      0.6096000       1.775100    
 H   -3.704100      -3.367000      -1.630600    


%chk=000039772-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039772

0 1
Br 2.051530 -2.767324 2.140071
O -0.485501 2.627839 -0.123739
O -4.130767 -2.725496 -1.088228
O -2.095797 -1.837643 -1.715347
N -1.448674 0.577402 -0.777640
C 1.993309 0.579102 -0.688850
C 2.720152 -1.164051 0.989071
C 4.315575 -0.479031 -0.814054
C 3.759065 1.114824 1.069292
C 1.518775 -0.628911 0.188619
C 3.126097 0.083172 -1.637652
C 2.573387 1.682357 0.243407
C 3.823912 -1.682586 0.050583
C 3.266304 -0.084176 1.940383
C 4.880243 0.629032 0.112974
C 0.812773 1.119798 -1.560623
C -0.422867 1.530061 -0.756940
C -2.692628 0.598286 -0.114106
C -3.572260 -0.538339 -0.251430
C -3.109941 1.696979 0.689212
C -4.830114 -0.537014 0.413276
C -4.360409 1.666284 1.333130
C -3.181616 -1.703360 -1.065567
C -5.229165 0.553530 1.201842
H 5.105625 -0.836425 -1.502606
H 4.149512 1.902412 1.742127
H 0.722446 -0.310141 0.885891
H 1.101241 -1.428451 -0.453613
H 2.732157 -0.700775 -2.316494
H 3.470949 0.923513 -2.273378
H 2.917610 2.538273 -0.370950
H 1.782358 2.071309 0.910401
H 3.429777 -2.488190 -0.596062
H 4.660462 -2.101038 0.639893
H 4.098803 -0.492723 2.542335
H 2.474341 0.245857 2.637625
H 5.738686 0.238377 0.694552
H 5.254215 1.477538 -0.493473
H 0.548364 0.351714 -2.313575
H 1.165007 2.018792 -2.100226
H -1.289170 -0.289155 -1.325331
H -2.439927 2.552100 0.790295
H -5.476878 -1.410262 0.295461
H -4.660818 2.522745 1.947112
H -6.198594 0.542299 1.709342
H -3.781647 -3.469606 -1.648411


