%chk=000036964.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036964

0 1
 Br   6.496200      0.7402000     -0.4396000    
 F   -1.739300      -2.261900     -0.2208000    
 F   -2.365600     -0.9347000      -1.829200    
 F   -3.749400      -1.440700     -0.2185000    
 F   -2.888000       1.679500      -1.165800    
 F   -2.583800       2.279000      0.9027000    
 F   -4.188200      0.8985000      0.3860000    
 O   -2.046400     -0.3256000       1.681000    
 O   0.3825000     -0.9916000       1.841100    
 C  -0.4409000      0.3887000     -2.1600001E-02
 C   -1.948000      5.6100000E-02  0.2996000    
 C   0.5646000     -0.7105000      0.4528000    
 C  -0.1843000      0.7267000      -1.500200    
 C   -2.461100      -1.150500     -0.4984000    
 C   -2.909400       1.233200      0.1129000    
 C    2.024100     -0.3536000      0.2347000    
 C    2.935200      -1.366700      4.9999999E-03
 C    2.402600      0.9748000      0.2704000    
 C    4.276000      -1.038900     -0.1965000    
 C    3.743400       1.302500      6.8899997E-02
 C    4.680000      0.2956000     -0.1645000    
 H  -0.2547000       1.292400      0.5731000    
 H   0.3654000      -1.635700     -9.6699998E-02
 H   0.7879000       1.194300      -1.670300    
 H  -0.2125000     -0.1725000      -2.123900    
 H  -0.9089000       1.436900      -1.899100    
 H   -1.634400      -1.199800       1.785700    
 H   0.4819000     -0.1568000       2.330300    
 H    2.629800      -2.408500     -1.9600000E-02
 H    1.722600       1.790000      0.4849000    
 H    4.993200      -1.835600     -0.3770000    
 H    4.043800       2.346600      0.1046000    


%chk=000036964-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036964

0 1
Br 6.574385 0.801170 -0.421233
F -1.908031 -2.327243 0.644459
F -2.074103 -1.676433 -1.512098
F -3.853864 -1.480839 -0.130353
F -3.203021 0.964850 -1.708098
F -2.369804 2.471037 -0.225008
F -4.178987 1.240427 0.310471
O -2.199053 0.187678 1.694897
O 0.216787 -0.639281 1.976600
C -0.479504 0.418393 -0.100531
C -1.984001 0.098878 0.269936
C 0.506614 -0.624712 0.511584
C -0.177214 0.631628 -1.603535
C -2.463575 -1.328044 -0.193962
C -2.943595 1.182396 -0.329925
C 1.970320 -0.278105 0.283723
C 2.771306 -1.072643 -0.570370
C 2.554182 0.838539 0.934402
C 4.132236 -0.760037 -0.788688
C 3.912013 1.163249 0.730981
C 4.686083 0.358908 -0.133783
H -0.292547 1.375068 0.425995
H 0.298075 -1.628078 0.091052
H 0.854933 1.002937 -1.713574
H -0.275847 -0.296856 -2.188546
H -0.846786 1.384290 -2.046348
H -1.349765 -0.164283 2.127931
H 0.742699 -1.341855 2.429387
H 2.337121 -1.943371 -1.076282
H 1.951616 1.447337 1.617216
H 4.745818 -1.377134 -1.450757
H 4.359808 2.023529 1.236457


