%chk=000178862.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178862

0 1
 Cl   5.716200     -0.2577000       1.347500    
 F    3.748200     -0.4052000      -2.634700    
 F    5.132800      0.8071000      -1.487100    
 F    5.337200      -1.357800      -1.496100    
 O   -3.376700       1.483100     -0.6674000    
 O   -2.236200      -4.138200     -3.1000001E-03
 O   -4.559700     -0.2448000      0.2656000    
 O   -4.050200      -2.757200     -0.2441000    
 N  -7.9700001E-02 -0.8234000      0.4110000    
 N  -0.6154000      -2.050800      0.2977000    
 C  -0.9880000      0.1915000      0.2998000    
 C   -2.203900     -0.4214000      9.8800004E-02
 C    1.293700     -0.6910000      0.6233000    
 C  -0.6529000       1.591800      0.3881000    
 C   -1.913200      -1.798800      0.1070000    
 C    2.148600     -0.5923000     -0.4663000    
 C    1.784900     -0.6576000       1.921300    
 C    3.520500     -0.4578000     -0.2538000    
 C   -3.465100      0.2380000     -7.5800002E-02
 C  -0.6724000       2.236300       1.625000    
 C  -0.3101000       2.301600     -0.7628000    
 C    3.156900     -0.5230000       2.133900    
 C    4.024800     -0.4233000       1.046400    
 C   -2.828400      -2.892700     -6.1099999E-02
 C  -0.3496000       3.590700       1.711000    
 C   1.3000000E-02   3.655800     -0.6767000    
 C    4.416300     -0.3534000      -1.445900    
 C  -6.6999998E-03   4.300200      0.5603000    
 C   -4.600700       2.197700     -0.8722000    
 C   -4.291800       3.527500      -1.526600    
 C   -3.092500      -5.274900     -0.1631000    
 H    1.743900     -0.6200000      -1.475200    
 H    1.118800     -0.7339000       2.776900    
 H  -0.9379000       1.697500       2.531500    
 H  -0.2905000       1.814100      -1.734600    
 H    3.533800     -0.4973000       3.153200    
 H  -0.3651000       4.092600       2.674000    
 H   0.2794000       4.208600      -1.572700    
 H   0.2445000       5.354700      0.6272000    
 H   -5.089900       2.363900      9.3699999E-02
 H   -5.260700       1.609600      -1.519000    
 H   -5.206900       4.100200      -1.700300    
 H   -3.618200       4.118700     -0.8973000    
 H   -3.781100       3.376600      -2.483400    
 H   -3.571200      -5.250500      -1.146500    
 H   -3.842900      -5.296300      0.6326000    
 H   -2.478100      -6.176200     -9.2500001E-02


%chk=000178862-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178862

0 1
Cl 5.978256 -1.086027 1.219906
F 3.697195 1.962470 -1.355648
F 5.204754 1.882248 0.329079
F 5.426915 0.509539 -1.463246
O -3.500672 1.282345 -1.081555
O -2.731051 -3.960831 0.823139
O -4.491614 -0.009815 0.588046
O -3.975166 -2.786238 -0.765477
N -0.020920 -0.863905 0.402871
N -0.672670 -2.098809 0.427878
C -0.898720 0.206729 0.152498
C -2.170048 -0.383593 -0.003243
C 1.402599 -0.875533 0.575370
C -0.487324 1.627791 0.235882
C -1.977023 -1.794890 0.187417
C 2.227864 0.071646 -0.066472
C 1.975863 -1.896093 1.370029
C 3.628477 0.034932 0.115831
C -3.492051 0.281947 -0.108939
C 0.142756 2.113628 1.414982
C -0.709938 2.516415 -0.847933
C 3.370937 -1.942886 1.544637
C 4.192924 -0.977825 0.930760
C -2.998957 -2.860495 0.016289
C 0.552210 3.460231 1.501645
C -0.293183 3.862533 -0.758653
C 4.476127 1.072783 -0.577835
C 0.340821 4.338010 0.412232
C -4.800229 2.012982 -1.236886
C -4.583243 3.076603 -2.307738
C -3.680656 -5.091918 0.676173
H 1.800789 0.837342 -0.715908
H 1.326318 -2.644903 1.829174
H 0.298957 1.439800 2.264836
H -1.208240 2.147253 -1.748248
H 3.823818 -2.723882 2.160841
H 1.034105 3.823947 2.415276
H -0.458500 4.537424 -1.605357
H 0.667640 5.381517 0.476613
H -5.074546 2.443332 -0.257095
H -5.571885 1.274631 -1.518860
H -5.521016 3.638887 -2.468470
H -3.799675 3.791104 -2.001426
H -4.287320 2.617142 -3.266411
H -3.655505 -5.478687 -0.356537
H -4.704917 -4.760799 0.915651
H -3.326459 -5.845782 1.392383


