%chk=000052713.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052713

0 1
 Cl  0.9714000      0.2599000      -2.081200    
 F  -0.5665000      -3.979400      0.7421000    
 F  -2.8899999E-02  -2.185500       1.836000    
 F   -1.936300      -3.157700       2.217500    
 O    1.378900       1.868500       1.070100    
 O    2.755400       2.912200     -0.4516000    
 N   -1.384400       2.296900      0.6557000    
 C   -2.538300       2.535800     -0.2164000    
 C   -3.517200       1.352300     -0.1102000    
 C   -2.901400      2.3399999E-02 -0.4776000    
 C   -3.179100       3.863900      0.1870000    
 C  -0.4051000       3.360900      0.5117000    
 C   -2.297900     -0.7413000      0.5080000    
 C   -2.951900     -0.4075000      -1.793800    
 C   0.7913000       3.115500       1.417400    
 C   -1.729800      -1.969200      0.1685000    
 C   -2.384000      -1.635300      -2.133300    
 C   -1.773000      -2.416300      -1.152200    
 C   -1.077200      -2.805000       1.217300    
 C    2.352200       1.910300      0.1186000    
 C    2.881100      0.5499000     -0.1535000    
 C    2.316200     -0.2516000      -1.125800    
 C    3.957300      0.1297000      0.6058000    
 C    2.846900      -1.522400      -1.348700    
 C    4.487800      -1.141000      0.3829000    
 C    3.932500      -1.967000     -0.5942000    
 H   -2.202900       2.603200      -1.259900    
 H   -4.384800       1.536800     -0.7582000    
 H   -3.929100       1.290500      0.9069000    
 H   -1.687800       2.233200       1.627200    
 H   -4.167100       3.956500     -0.2798000    
 H   -3.329800       3.939400       1.270000    
 H   -2.605100       4.730900     -0.1545000    
 H  -6.7199998E-02   3.413000     -0.5299000    
 H  -0.8006000       4.339900      0.7965000    
 H   -2.267900     -0.3986000       1.538900    
 H   -3.423000      0.1949000      -2.565100    
 H    1.513200       3.938300       1.352900    
 H   0.4779000       3.053500       2.465900    
 H   -2.416100      -1.982400      -3.161900    
 H   -1.335000      -3.369000      -1.436500    
 H    4.395400      0.7671000       1.368500    
 H    2.424900      -2.178800      -2.105500    
 H    5.333100      -1.487300      0.9704000    
 H    4.345300      -2.956600     -0.7672000    


%chk=000052713-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052713

0 1
Cl 4.524307 1.500423 -2.812887
F 0.056037 -3.815108 1.212075
F 0.230128 -1.916630 2.446397
F -1.525617 -3.306161 2.753401
O 1.589122 2.030954 0.676311
O 2.267241 2.889747 -1.380233
N -1.424410 2.589130 0.800261
C -2.699642 2.529799 0.049255
C -3.512000 1.279991 0.504114
C -2.856719 -0.038708 0.135319
C -3.572491 3.810444 0.170851
C -0.407344 3.528538 0.295225
C -2.089168 -0.765620 1.072427
C -2.988446 -0.562655 -1.177915
C 0.958100 3.342062 0.972287
C -1.470826 -1.984052 0.703126
C -2.363354 -1.772698 -1.548518
C -1.600226 -2.495760 -0.607456
C -0.699557 -2.739566 1.741806
C 2.215233 1.928424 -0.577190
C 2.769778 0.553393 -0.775018
C 3.760608 0.239939 -1.744891
C 2.270744 -0.513005 0.028385
C 4.235291 -1.077441 -1.910862
C 2.731294 -1.832966 -0.134254
C 3.717194 -2.115905 -1.107346
H -2.430003 2.391153 -1.017771
H -4.515158 1.341450 0.040158
H -3.663426 1.342676 1.600402
H -1.583496 2.692739 1.813206
H -4.462713 3.752265 -0.483232
H -3.924035 3.947642 1.212000
H -3.001063 4.710564 -0.119169
H -0.292069 3.374988 -0.792714
H -0.676956 4.606849 0.435451
H -1.964243 -0.378155 2.088900
H -3.587347 -0.015463 -1.916662
H 1.640431 4.146746 0.643400
H 0.871838 3.343022 2.072321
H -2.473431 -2.157481 -2.567575
H -1.112925 -3.435080 -0.884182
H 1.512009 -0.276252 0.777933
H 5.005643 -1.280535 -2.660249
H 2.327334 -2.631542 0.494832
H 4.087728 -3.137655 -1.242916


