%chk=000036969.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036969

0 1
 S    3.580500      -1.240300     -0.5681000    
 F   -1.050800      -2.261300      0.2685000    
 F   -1.795100      -1.339100      -1.557900    
 F   -3.108200      -1.574000      0.1700000    
 F   -2.466500       1.322000      -1.435200    
 F   -2.155000       2.358400      0.4514000    
 F   -3.680200      0.8111000      0.2894000    
 O   -1.437300      1.0100000E-02   1.735400    
 O    1.031800     -0.4677000       1.945800    
 C   8.1799999E-02  0.4417000     -0.1334000    
 C   -1.393800      9.8499998E-02  0.3023000    
 C    1.165000     -0.4743000      0.5240000    
 C   0.2838000      0.4761000      -1.658000    
 C   -1.847300      -1.275900     -0.2088000    
 C   -2.431400       1.153400     -9.1700003E-02
 C    2.593800     -8.8500001E-02  0.1856000    
 C    3.197700       1.100300      0.4196000    
 C    4.546300       1.080900     -3.9900001E-02
 C    4.885100     -0.1316000     -0.5988000    
 H   0.2633000       1.459300      0.2431000    
 H   0.9988000      -1.508000      0.2063000    
 H  -0.4686000       1.075700      -2.170800    
 H    1.245400      0.9336000      -1.914200    
 H   0.2825000     -0.5290000      -2.090300    
 H  -0.9716000     -0.7995000       2.005100    
 H    1.045400      0.4576000       2.245000    
 H    2.725700       1.951800      0.8922000    
 H    5.233000       1.913900      3.5799999E-02
 H    5.836400     -0.4196000      -1.023500    


%chk=000036969-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036969

0 1
S 3.565311 -1.140104 -0.886290
F -1.203086 -2.286975 0.759172
F -1.576677 -1.731667 -1.398900
F -3.245190 -1.562188 0.117469
F -2.791683 0.837068 -1.639678
F -1.934191 2.443846 -0.282561
F -3.661506 1.177751 0.415901
O -1.575212 0.261115 1.733979
O 0.888107 -0.413098 1.940209
C 0.038657 0.475702 -0.161240
C -1.429692 0.114825 0.305543
C 1.103795 -0.483521 0.462194
C 0.260154 0.601962 -1.687445
C -1.873463 -1.349406 -0.067452
C -2.462199 1.131631 -0.291290
C 2.520122 -0.082710 0.144083
C 3.217285 1.044784 0.560348
C 4.573948 1.101390 0.074979
C 4.922758 0.016513 -0.714467
H 0.211659 1.469002 0.296767
H 0.919846 -1.520502 0.118895
H -0.473227 1.281100 -2.147952
H 1.262924 1.022901 -1.867638
H 0.194982 -0.368927 -2.204499
H -0.685914 -0.018304 2.139506
H 1.519622 -1.008736 2.411461
H 2.771972 1.804612 1.207464
H 5.265216 1.915817 0.303328
H 5.866180 -0.198286 -1.212988


