%chk=000031679.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031679

0 1
 Cl  -7.281200      -2.955300      0.2387000    
 S   -8.128500      8.1699997E-02 -0.4881000    
 F    9.332200     -0.9148000     -0.2242000    
 F    8.463100      0.2964000      -1.799400    
 F    8.545200       1.059600      0.2351000    
 O   -1.886700      0.8413000      0.2343000    
 O   -3.362500       2.522200     -0.3096000    
 O   -8.115400       1.280800      -1.310900    
 O   -8.849400      -1.099800     -0.9348000    
 N    1.620500       1.915700      0.4956000    
 N   -8.659600      0.4917000       1.082200    
 C    2.856800       1.196200      0.8160000    
 C    3.299000      0.3652000     -0.4025000    
 C    4.547500     -0.4480000     -0.1587000    
 C    3.911300       2.217800       1.241900    
 C   0.4801000       1.015500      0.5330000    
 C    5.801400      9.9399999E-02 -0.4304000    
 C  -0.8032000       1.761000      0.2031000    
 C    4.446800      -1.747100      0.3393000    
 C    6.954400     -0.6521000     -0.2041000    
 C    5.599800      -2.498600      0.5655000    
 C    6.853700      -1.951200      0.2938000    
 C    8.295600     -6.7100003E-02 -0.4936000    
 C   -4.157100      0.2992000      2.4400000E-02
 C   -3.116600       1.356300     -4.1900001E-02
 C   -6.469000     -0.3765000     -0.1637000    
 C   -5.491900      0.6170000     -0.2258000    
 C   -3.799200      -1.012400      0.3370000    
 C   -6.111100      -1.688000      0.1488000    
 C   -4.776200      -2.006000      0.3992000    
 H    2.694000      0.5351000       1.678100    
 H    3.467200       1.024000      -1.266100    
 H    2.515900     -0.3308000     -0.7241000    
 H    1.469500       2.664400       1.171500    
 H    3.537500       2.854200       2.053000    
 H    4.812000       1.729300       1.625800    
 H    4.199500       2.871200      0.4108000    
 H   0.5754000      0.1917000     -0.1818000    
 H   0.3752000      0.5548000       1.523800    
 H    5.884900       1.110100     -0.8228000    
 H  -0.9808000       2.555900      0.9379000    
 H  -0.7355000       2.207000     -0.7969000    
 H    3.475700      -2.183700      0.5574000    
 H    5.521300      -3.509800      0.9539000    
 H    7.740100      -2.552200      0.4769000    
 H   -5.763900       1.642900     -0.4595000    
 H   -2.772500      -1.304100      0.5389000    
 H   -4.480600      -3.023200      0.6440000    
 H   -9.324100     -0.1426000       1.542100    
 H   -8.824300       1.485100       1.286100    


%chk=000031679-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000031679

0 1
Cl -7.701346 -2.801938 0.546692
S -8.282082 0.319910 -0.688552
F 9.528472 -1.038560 -0.705115
F 8.443641 0.156181 -2.301262
F 8.823866 1.074178 -0.270115
O -1.879703 0.693557 0.312978
O -3.271474 2.394812 -0.468099
O -8.082320 1.896788 -1.033226
O -8.933436 -0.708696 -1.759525
N 1.653200 1.798751 0.766495
N -9.216152 0.278406 0.883853
C 2.981921 1.174643 0.980298
C 3.467727 0.508179 -0.349087
C 4.715175 -0.339674 -0.172895
C 3.971861 2.250046 1.466099
C 0.481057 0.905318 0.819232
C 5.977784 0.113582 -0.620035
C -0.716900 1.620592 0.187644
C 4.645467 -1.603622 0.474846
C 7.137314 -0.674677 -0.422626
C 5.801610 -2.387861 0.671206
C 7.059461 -1.927411 0.224201
C 8.454337 -0.144984 -0.910432
C -4.213522 0.214344 0.084558
C -3.117201 1.219079 -0.061785
C -6.571476 -0.311584 -0.139012
C -5.527091 0.612008 -0.266403
C -3.979133 -1.101448 0.556841
C -6.351075 -1.615600 0.337810
C -5.043851 -2.015219 0.687842
H 2.927173 0.372988 1.758841
H 3.634619 1.315528 -1.084979
H 2.645066 -0.119688 -0.742210
H 1.528273 2.638468 1.345939
H 3.660385 2.663094 2.444084
H 4.984967 1.831266 1.584939
H 4.022412 3.080893 0.737525
H 0.699259 -0.007345 0.235529
H 0.212894 0.572684 1.850430
H 6.057143 1.081197 -1.128494
H -0.962850 2.567809 0.702998
H -0.540612 1.839851 -0.879140
H 3.672768 -1.978891 0.816360
H 5.726893 -3.360763 1.167985
H 7.960791 -2.529627 0.369247
H -5.725088 1.626229 -0.633483
H -2.961758 -1.399268 0.822481
H -4.871829 -3.028927 1.060223
H -9.851317 -0.534843 0.889892
H -9.689019 1.189648 0.998608


