%chk=000056491.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056491

0 1
 Br   3.924300       2.077800      0.1161000    
 O   -2.796300       1.030600     -7.6399997E-02
 O    4.621700     -0.8674000      0.2682000    
 O   -4.972400      -1.701200     -3.2800000E-02
 O   -5.343100      0.4641000     -0.1398000    
 N   -4.540200     -0.5120000     -7.0000000E-02
 C   0.4888000     -0.3944000      0.1005000    
 C  -0.9221000     -0.2312000      4.3900002E-02
 C    1.312800      0.7622000      7.9400003E-02
 C   -1.434900       1.060300     -2.9800000E-02
 C   0.7299000       2.038300      3.8999999E-03
 C   -2.059400      -1.088700      4.1000001E-02
 C    1.071100      -1.675300      0.1764000    
 C  -0.6563000       2.214300     -5.2400000E-02
 C    2.705300      0.5964000      0.1358000    
 C   -3.165000     -0.2747000     -3.3000000E-02
 C    3.271300     -0.6785000      0.2109000    
 C    2.457600      -1.809600      0.2312000    
 C    5.306800      -1.010900     -0.9731000    
 H    1.324300       2.947700     -1.4600000E-02
 H   -2.065000      -2.169100      8.7499999E-02
 H   0.4566000      -2.571800      0.1938000    
 H   -1.099900       3.201500     -0.1106000    
 H    2.896300      -2.802300      0.2909000    
 H    5.008100     -0.2437000      -1.694500    
 H    5.112700      -2.003800      -1.390900    
 H    6.379900     -0.9159000     -0.7856000    


%chk=000056491-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056491

0 1
Br 3.811430 2.495387 0.018613
O -2.943705 1.059068 0.201094
O 4.721852 -0.326993 -0.351223
O -4.763559 -2.025248 -0.062355
O -5.497530 0.136819 0.227378
N -4.567862 -0.746930 0.076006
C 0.483834 -0.223469 -0.125157
C -0.949408 -0.110407 -0.038072
C 1.257392 1.003915 -0.022425
C -1.540589 1.165824 0.140588
C 0.578029 2.269101 0.159255
C -2.033240 -1.057382 -0.092035
C 1.152172 -1.464433 -0.303358
C -0.811622 2.370930 0.242914
C 2.684089 0.904600 -0.106744
C -3.197871 -0.316021 0.054866
C 3.331756 -0.337768 -0.282668
C 2.544535 -1.527025 -0.381072
C 5.422432 -1.604692 -0.534962
H 1.184497 3.175758 0.232955
H -1.996225 -2.136030 -0.219243
H 0.567003 -2.386294 -0.381508
H -1.315626 3.330243 0.380596
H 3.035857 -2.493951 -0.518782
H 5.141593 -2.082187 -1.492726
H 5.225853 -2.294815 0.307243
H 6.487813 -1.335301 -0.553179


