%chk=000126980.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126980

0 1
 S    5.637000      0.8175000     -0.5915000    
 F   -4.378500       3.652500      -1.239900    
 F   -2.273600       3.132700      -1.298600    
 F   -3.684600       2.088800      -2.582400    
 O   -2.371600      -1.678300      0.8056000    
 O   -1.057100     -0.1210000       2.599300    
 N    3.108800     -0.8766000      0.3585000    
 N    1.804700      -2.478900      -1.502900    
 N    5.213100       4.838300     -0.8386000    
 C    3.803700     -5.9500001E-02   1.298600    
 C    5.307800      5.2999998E-03   1.013500    
 C    1.712300      -1.109200      0.4326000    
 C  -0.3053000      -2.117300     -0.3968000    
 C    1.085900      -1.916200     -0.5131000    
 C   -1.024500      -1.514100      0.6490000    
 C  -0.9365000      -2.929200      -1.348700    
 C   0.9975000     -0.5092000       1.472300    
 C  -0.3726000     -0.7116000       1.580900    
 C    5.978700      -1.365800       1.045300    
 C  -0.1984000      -3.510500      -2.369600    
 C   -2.402700      -3.231200      -1.352500    
 C    5.294900       2.516700     -8.5800000E-02
 C    1.157500      -3.255700      -2.401400    
 C   -3.162200     -0.5450000      0.7645000    
 C    5.491900       3.468400      -1.259200    
 C   -2.952700      0.4163000     -0.2243000    
 C   -4.169100     -0.3624000       1.712300    
 C   -3.750000       1.560000     -0.2651000    
 C  -0.3046000      0.6835000       3.505600    
 C   -4.966600      0.7812000       1.671500    
 C   -4.756900       1.742500      0.6826000    
 C   -3.526200       2.588000      -1.321800    
 H    3.384800      0.9518000       1.326700    
 H    3.688200     -0.4794000       2.306900    
 H    5.781500      0.6121000       1.794500    
 H    3.595900      -1.261000     -0.4433000    
 H    1.528900      0.1080000       2.183100    
 H    5.787000      -1.862300       2.003000    
 H    7.065700      -1.273100      0.9403000    
 H    5.620200      -2.028900      0.2506000    
 H  -0.6478000      -4.144000      -3.126500    
 H   -2.711800      -3.717200     -0.4217000    
 H   -2.991800      -2.330600      -1.545000    
 H   -2.666300      -3.936100      -2.150900    
 H    5.969000       2.786600      0.7347000    
 H    4.264800       2.600800      0.2719000    
 H    1.785700      -3.682500      -3.176300    
 H    6.519900       3.415600      -1.635700    
 H    4.816200       3.212400      -2.083100    
 H   -2.183800      0.2840000     -0.9813000    
 H   -4.335900      -1.107700       2.485100    
 H   -1.009500       1.072900       4.247800    
 H   0.4356000      9.1600001E-02   4.054800    
 H   0.1367000       1.552500       3.005400    
 H   -5.750300      0.9232000       2.409900    
 H   -5.388100       2.626700      0.6674000    
 H    5.855800       5.106400     -9.4200000E-02
 H    5.394800       5.473200      -1.614800    


%chk=000126980-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126980

0 1
S 6.052815 0.341400 -0.544287
F -5.103168 3.553848 -0.813900
F -3.542087 3.800249 0.806903
F -2.933910 3.020805 -1.227860
O -2.360464 -1.646786 0.907816
O -1.187993 -0.144812 2.798187
N 3.173611 -0.528431 0.513200
N 2.012233 -1.900005 -1.458490
N 5.907346 4.195798 -2.078424
C 3.978873 0.249101 1.444829
C 5.490771 -0.002957 1.250134
C 1.818232 -0.733276 0.625991
C -0.247046 -1.770065 -0.398443
C 1.176658 -1.491316 -0.439492
C -0.990279 -1.281331 0.723831
C -0.793984 -2.530800 -1.509628
C 1.038145 -0.258936 1.700721
C -0.352566 -0.551187 1.750865
C 5.912428 -1.444985 1.586219
C 0.090632 -2.932649 -2.522328
C -2.260399 -2.897879 -1.631026
C 5.611303 2.185288 -0.682547
C 1.475726 -2.604497 -2.470703
C -3.360839 -0.666026 0.796503
C 6.219286 2.761666 -1.978199
C -3.127358 0.636134 0.305327
C -4.661119 -1.072132 1.180111
C -4.216694 1.531387 0.209214
C -0.604646 0.651359 3.880524
C -5.733652 -0.165172 1.070167
C -5.523230 1.146781 0.588702
C -3.959185 2.936065 -0.252173
H 3.765487 1.337878 1.354268
H 3.727253 -0.036232 2.489335
H 6.042592 0.714236 1.885404
H 3.594532 -0.842598 -0.372932
H 1.500223 0.331253 2.494366
H 5.664023 -1.676962 2.638816
H 6.999211 -1.579918 1.449735
H 5.387150 -2.174626 0.945713
H -0.288921 -3.506938 -3.374129
H -2.613670 -3.458828 -0.749751
H -2.899283 -1.999029 -1.707638
H -2.425655 -3.510055 -2.534320
H 6.025719 2.699082 0.204415
H 4.516395 2.307560 -0.700030
H 2.156936 -2.919971 -3.268847
H 7.309572 2.535858 -2.000202
H 5.769108 2.243897 -2.845078
H -2.121340 0.939823 0.001674
H -4.805113 -2.087919 1.559873
H -1.442895 0.856327 4.561997
H 0.182329 0.085638 4.415442
H -0.191543 1.605600 3.501569
H -6.740107 -0.479751 1.364400
H -6.354085 1.852000 0.499978
H 6.495347 4.821930 -1.526142
H 5.692793 4.550103 -3.010459


