%chk=000051087.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051087

0 1
 S   -2.201600      -1.879700     -3.3700000E-02
 F   -5.245700      0.6536000     -0.1638000    
 F   -5.048100      -1.212400      -1.262000    
 F   -5.136500      -1.237500      0.9163000    
 O    4.207000      -3.427200      0.2746000    
 O    2.601700       4.567300      0.2928000    
 N   -2.486600      0.6896000     -1.8300001E-02
 C  -0.7857000     -0.9156000      5.0700001E-02
 C   -1.133300      0.4195000      4.9300000E-02
 C   0.5029000      -1.564100      0.1086000    
 C  -0.1730000       1.485200      0.1118000    
 C   -3.145400     -0.4468000     -6.6500001E-02
 C    1.062700      -1.891500       1.342600    
 C    1.186000      -1.861800      -1.070000    
 C   0.3555000       2.017700      -1.064100    
 C   0.2312000       1.988100       1.348500    
 C    2.307900      -2.517700       1.398500    
 C    2.431100      -2.488100      -1.014100    
 C    1.288200       3.053100      -1.003200    
 C    1.163800       3.023700       1.409300    
 C    2.992000      -2.816000      0.2201000    
 C    1.692300       3.556000      0.2335000    
 C   -4.618300     -0.5577000     -0.1452000    
 C    4.851400      -3.703100     -0.9681000    
 C    3.100300       5.065500     -0.9476000    
 H   0.5433000      -1.664600       2.270700    
 H   0.7624000      -1.611000      -2.039800    
 H   5.0099999E-02   1.636100      -2.035700    
 H  -0.1713000       1.584100       2.274500    
 H    2.740200      -2.770200       2.362900    
 H    2.907700      -2.690400      -1.967200    
 H    1.658100       3.420000      -1.954400    
 H    1.474700       3.411400       2.375600    
 H    5.804700      -4.189700     -0.7369000    
 H    5.086400      -2.782400      -1.512700    
 H    4.271700      -4.407500      -1.574300    
 H    2.303500       5.513800      -1.550800    
 H    3.654000       4.296400      -1.496800    
 H    3.811200       5.864400     -0.7127000    


%chk=000051087-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051087

0 1
S -2.336202 -1.888301 0.311835
F -5.082676 1.083460 -0.418647
F -5.141685 -1.043589 -1.211740
F -5.261139 -0.671051 1.017603
O 3.981213 -4.190015 0.574255
O 2.829268 4.641179 -0.331345
N -2.317924 0.713570 -0.250189
C -0.748430 -1.003235 0.201293
C -0.967508 0.361450 -0.079864
C 0.491346 -1.789155 0.301521
C 0.031610 1.453003 -0.162936
C -3.136174 -0.302936 -0.075564
C 0.633785 -2.830230 1.266393
C 1.564065 -1.568194 -0.605010
C -0.253143 2.587530 -0.966137
C 1.245638 1.443759 0.582199
C 1.800475 -3.606558 1.331710
C 2.741988 -2.338490 -0.549272
C 0.647067 3.668760 -1.059363
C 2.149048 2.514745 0.502415
C 2.864381 -3.363164 0.424789
C 1.858644 3.631011 -0.324273
C -4.625573 -0.215078 -0.172379
C 5.112017 -3.984599 -0.338431
C 2.561500 5.833794 -1.141382
H -0.175620 -3.019300 1.981112
H 1.470537 -0.789960 -1.368873
H -1.201396 2.620092 -1.511635
H 1.478020 0.602459 1.241621
H 1.914655 -4.401607 2.074251
H 3.542723 -2.140617 -1.267613
H 0.392631 4.524255 -1.691891
H 3.077713 2.518239 1.080818
H 5.861097 -4.730369 -0.036083
H 5.533188 -2.966524 -0.231794
H 4.814339 -4.158487 -1.390245
H 1.644593 6.352153 -0.800661
H 2.467703 5.577790 -2.214452
H 3.434727 6.484711 -0.989638


