%chk=000062276.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062276

0 1
 Cl   2.389100       2.217900       2.984500    
 F    5.038700     -0.6262000      -2.047600    
 F    6.197600      8.4299996E-02 -0.3575000    
 F    4.830100      -1.588100     -0.1086000    
 O   -1.872600      -1.167400     -8.1500001E-02
 O   0.7596000       3.188500      0.6407000    
 O   -1.163100      -4.650900      0.3373000    
 O   -3.597500     -0.5293000       1.303100    
 O   0.2000000      -2.869600     -0.1991000    
 O   -4.644400       1.180100      -1.839900    
 O   -5.346800       1.835800      0.1340000    
 N   -4.430500       1.665300     -0.7042000    
 C   -2.237300       1.125200      0.2552000    
 C   -2.181900      -2.535400      0.1352000    
 C  -0.5063000       2.809700      0.3138000    
 C   -3.101800       2.034700     -0.3541000    
 C  -0.9397000       1.512700      0.5891000    
 C   -1.370800       3.719200     -0.2959000    
 C   -2.661600     -0.2636000      0.5649000    
 C    1.791500       2.317900      0.3331000    
 C   -2.668500       3.331700     -0.6301000    
 C    3.855100      0.5676000     -0.3454000    
 C   -3.175800      -2.968900     -0.9280000    
 C    2.619700       1.797400       1.327300    
 C    1.995300       1.963500      -1.000700    
 C  -0.9008000      -3.340700      5.5900000E-02
 C    3.651500      0.9221000      0.9883000    
 C    3.027300       1.088400      -1.340100    
 C    4.957700     -0.3687000     -0.7085000    
 C  -2.8999999E-02  -5.523700      0.3250000    
 C  -0.4849000      -6.929300      0.6536000    
 H   -2.587600      -2.689300       1.143000    
 H  -0.2842000      0.8001000       1.084100    
 H   -1.038600       4.730600     -0.5130000    
 H   -3.330700       4.051700      -1.104800    
 H   -4.084100      -2.358400     -0.8899000    
 H   -3.461800      -4.018800     -0.8101000    
 H   -2.751800      -2.845100      -1.931200    
 H    1.366400       2.367900      -1.789400    
 H    4.300200      0.5124000       1.759300    
 H    3.171600      0.8258000      -2.384400    
 H   0.6993000      -5.186700       1.071100    
 H   0.4334000      -5.507300     -0.6682000    
 H   0.3592000      -7.624600      0.6526000    
 H   -1.227700      -7.273400     -7.3700003E-02
 H  -0.9658000      -6.958400       1.637000    


%chk=000062276-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000062276

0 1
Cl 2.999059 2.996792 2.480797
F 5.056609 -1.363236 -1.868041
F 6.420187 0.192207 -0.933399
F 5.530353 -1.440996 0.351435
O -2.647765 -1.119355 -0.771338
O 0.822597 2.894469 0.446930
O -1.322516 -4.380078 0.212215
O -3.206331 -0.945727 1.494411
O -0.402691 -2.240943 0.328341
O -5.157934 0.692334 -0.167721
O -5.515399 2.940873 -0.004822
N -4.741156 1.908137 -0.016980
C -2.418054 1.014481 0.258944
C -2.665844 -2.597327 -0.650075
C -0.540329 2.567408 0.311424
C -3.289059 2.122347 0.136336
C -1.028475 1.241671 0.347409
C -1.416327 3.674846 0.212381
C -2.861427 -0.419034 0.417995
C 1.843350 1.972039 0.151993
C -2.797509 3.448152 0.123396
C 4.043124 0.314517 -0.434497
C -2.839952 -3.164905 -2.062229
C 2.974258 1.957042 1.005595
C 1.828700 1.161862 -1.005604
C -1.337203 -3.012271 0.013587
C 4.074375 1.133825 0.719133
C 2.925004 0.329012 -1.296667
C 5.230408 -0.558417 -0.722064
C -0.098832 -4.947142 0.875810
C -0.323591 -6.448716 1.002446
H -3.493923 -2.901612 0.015696
H -0.360120 0.381584 0.456967
H -1.000100 4.685314 0.204132
H -3.507792 4.273558 0.032861
H -3.799833 -2.821574 -2.481501
H -2.838131 -4.266530 -2.021910
H -2.025619 -2.827622 -2.725536
H 0.964916 1.189184 -1.675693
H 4.938015 1.127762 1.390230
H 2.910793 -0.300636 -2.189727
H 0.016188 -4.447134 1.853868
H 0.775879 -4.695566 0.249868
H 0.552031 -6.913944 1.490410
H -0.456193 -6.915499 0.011642
H -1.216041 -6.664453 1.613754


