%chk=000086145.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086145

0 1
 Br   2.597100      -2.891300     -0.3436000    
 F   -3.679700       1.644600     -9.2100002E-02
 O   -1.603600     -0.1964000      0.9607000    
 O   -2.469400      -2.836100      0.6184000    
 O    1.135800       2.835600      0.3647000    
 O    4.382900     -0.3695000     -0.1924000    
 N   0.4477000      0.6124000      0.1742000    
 N    2.742500       1.222400      8.6999997E-02
 C  -0.9517000      0.8963000      0.2972000    
 C   -1.638200       1.072200      -1.045000    
 C   -3.040600      0.6230000     -0.7300000    
 C   -2.830300     -0.5005000      0.2687000    
 C   -2.670200      -1.862600     -0.3916000    
 C    1.414400       1.643400      0.2199000    
 C   0.8483000     -0.7099000      6.2000002E-03
 C    2.120100      -1.104700     -0.1205000    
 C    3.195000     -7.8800000E-02 -8.1799999E-02
 H   -1.097100       1.789400      0.9167000    
 H   -1.198500      0.4222000      -1.810500    
 H   -1.580800       2.105900      -1.398200    
 H   -3.635500      0.3509000      -1.605200    
 H   -3.626800     -0.5313000       1.019600    
 H   -1.819400      -1.897000      -1.077300    
 H   -3.576000      -2.125300     -0.9476000    
 H   6.8400003E-02  -1.458000     -2.8600000E-02
 H    3.451800       1.949500      0.1173000    
 H   -2.379800      -3.696200      0.1739000    


%chk=000086145-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086145

0 1
Br 2.485305 -3.131495 0.573670
F -4.128448 1.495568 -0.049986
O -1.799015 -0.067569 1.153322
O -1.878256 -2.764080 0.313565
O 0.973259 2.668959 -0.372153
O 4.271613 -0.658626 -0.485269
N 0.374059 0.487767 0.253202
N 2.588719 0.960834 -0.406942
C -1.023072 0.998042 0.549008
C -1.776854 1.450194 -0.734890
C -3.104710 0.674147 -0.700250
C -2.821082 -0.549693 0.184547
C -2.330415 -1.750429 -0.642577
C 1.299103 1.461904 -0.188236
C 0.738531 -0.834746 0.490591
C 2.017684 -1.280594 0.252491
C 3.070986 -0.378687 -0.232680
H -0.913935 1.810407 1.284623
H -1.196714 1.203314 -1.639658
H -1.954321 2.535255 -0.735419
H -3.504757 0.424782 -1.698743
H -3.690437 -0.839778 0.795122
H -1.505936 -1.454146 -1.327346
H -3.180934 -2.120024 -1.253929
H -0.058887 -1.482232 0.873130
H 3.282257 1.644212 -0.729286
H -1.627343 -3.593085 -0.165808


