%chk=000158535.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158535

0 1
 Br  -3.887100       2.661300     -0.3818000    
 Cl   2.654400     -0.1162000       3.170700    
 F   -5.332400      -1.544500      -1.175700    
 F   -5.873900      0.2830000     -0.1408000    
 F   -5.025300      0.3798000      -2.140600    
 F    6.474800      0.1154000     -0.3633000    
 F    5.643000     -0.9321000      -2.070600    
 F    5.562100       1.239400      -1.985800    
 O   0.1472000       2.274900       1.265500    
 O   -1.631400       3.365200      0.5820000    
 O   -1.481200      -3.654800      0.3159000    
 O   0.2639000      -2.568000       1.085700    
 N   0.3486000     -0.1137000       1.235400    
 N   -1.009300       2.299800      0.7890000    
 N  -0.8942000      -2.586800      0.6076000    
 N    1.679200     -7.4999998E-03 -0.7160000    
 C  -0.9611000     -0.1327000      0.6943000    
 C   -1.644700       1.062000      0.4684000    
 C   -1.566400      -1.351400      0.3874000    
 C   -3.538700     -0.1809000     -0.3715000    
 C   -2.933700       1.038000     -6.4599998E-02
 C   -2.855200      -1.375500     -0.1455000    
 C    1.618500     -5.6800000E-02  0.6399000    
 C   -4.917500     -0.2655000     -0.9445000    
 C    2.749500     -5.3199999E-02   1.451400    
 C    4.089900      5.4699998E-02 -0.5427000    
 C    3.998900      3.5000001E-03  0.8440000    
 C    2.910900      4.6700001E-02  -1.270800    
 C    5.411100      0.1157000      -1.223000    
 H   -3.339500      -2.317600     -0.3895000    
 H   0.3732000     -0.5487000       2.155600    
 H    4.900300      7.7000000E-03   1.451900    
 H    2.918900      8.4799998E-02  -2.355600    


%chk=000158535-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000158535

0 1
Br -3.187811 2.539275 -1.262104
Cl 2.806851 -1.266895 2.956455
F -5.651310 -1.357473 -0.719624
F -5.741305 0.856156 -0.275906
F -5.018059 0.127458 -2.301702
F 6.491181 0.775065 -0.306219
F 5.623979 0.329494 -2.359409
F 5.344925 2.376823 -1.440164
O 0.140489 2.158676 1.134467
O -0.195347 2.524173 -1.091147
O -2.461522 -3.757157 1.392119
O -0.497532 -2.928259 2.184412
N 0.436491 -0.771753 1.070593
N -0.378893 1.866019 -0.010655
N -1.596651 -2.811595 1.480849
N 1.682102 0.278299 -0.655943
C -0.847551 -0.531206 0.606825
C -1.289229 0.684697 -0.028026
C -1.859419 -1.541837 0.784019
C -3.546902 -0.216177 -0.387868
C -2.606633 0.851517 -0.515586
C -3.160814 -1.382784 0.280050
C 1.656779 -0.292912 0.578766
C -4.963055 -0.138944 -0.915201
C 2.855937 -0.488425 1.321893
C 4.087907 0.530931 -0.494551
C 4.080811 -0.075842 0.782697
C 2.858868 0.694276 -1.178102
C 5.366106 0.993694 -1.130924
H -3.867360 -2.205166 0.414355
H 0.470865 -1.544397 1.770493
H 5.009235 -0.215084 1.342295
H 2.809670 1.165354 -2.164758


