%chk=000059676.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059676

0 1
 Br   2.355100      -2.256600      0.7378000    
 O  -0.4216000       2.701700     -0.9264000    
 N   0.4820000       2.261800       1.134800    
 C  -0.1850000     -0.5153000     -0.5261000    
 C  -0.8681000      0.5821000     -1.8000000E-03
 C    1.191300     -0.3708000      -1.089500    
 C  -0.7866000      -1.773800     -0.5312000    
 C   -2.152700      0.4208000      0.5174000    
 C   -2.071200      -1.934900     -1.2300000E-02
 C   -2.754200     -0.8378000      0.5121000    
 C  -0.2640000       1.907400      1.5699999E-02
 C    2.300000     -0.5722000     -7.9899997E-02
 C    3.175200      0.3875000      0.2496000    
 H    1.328600      -1.096900      -1.903900    
 H    1.298300      0.5985000      -1.593200    
 H  -0.2791000      -2.638400     -0.9507000    
 H   -2.695700       1.268200      0.9283000    
 H   -2.541300      -2.914100     -1.9900000E-02
 H   -3.754900     -0.9632000      0.9154000    
 H   0.6154000       1.628100       1.916500    
 H   0.9213000       3.173800       1.201700    
 H    3.952800      0.2224000      0.9882000    
 H    3.136100       1.366200     -0.2171000    


%chk=000059676-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059676

0 1
Br 2.624808 -2.276052 0.726339
O 0.644607 2.354011 -0.792642
N -0.095627 2.504162 1.396294
C -0.135314 -0.603907 -0.580614
C -0.700390 0.508753 0.112704
C 1.247846 -0.541260 -1.230933
C -0.881522 -1.804339 -0.651353
C -1.989244 0.391293 0.697375
C -2.160752 -1.917916 -0.063166
C -2.721037 -0.812109 0.612624
C 0.010693 1.841582 0.183013
C 2.404303 -0.550563 -0.248935
C 3.271930 0.453841 0.001843
H 1.356849 -1.396968 -1.922106
H 1.333056 0.392784 -1.813819
H -0.444427 -2.665414 -1.169734
H -2.440734 1.262877 1.185671
H -2.715573 -2.859502 -0.137137
H -3.718447 -0.881207 1.059832
H -0.484292 2.053743 2.222823
H 0.343018 3.420747 1.484417
H 4.095705 0.361751 0.714238
H 3.136243 1.408194 -0.521233


