%chk=000130098.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130098

0 1
 S    3.029200     -0.6600000       1.189200    
 F   -6.810000      -1.108600     -0.9124000    
 O   -2.276900       1.779500      0.2750000    
 O    3.789300      0.2566000       2.032000    
 O    2.848400      -2.034200       1.644000    
 O   -1.956200      -2.290800      2.2000000E-03
 O    6.278100       1.580900      -1.637300    
 O    6.398800     -0.6014000      -1.006300    
 N    3.738300     -0.6835000     -0.3886000    
 C    1.450900      3.4699999E-02  0.9133000    
 C  -0.8917000     -0.2279000      0.3997000    
 C   0.3676000     -0.7928000      0.6175000    
 C   -1.071800       1.152900      0.4762000    
 C    1.276000       1.416600      0.9908000    
 C   -2.052300      -1.075300      8.5500002E-02
 C   -3.334100     -0.3853000     -0.1253000    
 C   1.6500000E-02   1.976300      0.7727000    
 C   -3.372100       1.004600     -1.7999999E-02
 C    4.283000      0.5937000     -0.9153000    
 C    3.044900      -1.468000      -1.441700    
 C   -4.492500      -1.106100     -0.4270000    
 C   -4.578400       1.680000     -0.2143000    
 C   -5.694700     -0.4257000     -0.6218000    
 C   -5.737800      0.9646000     -0.5157000    
 C    5.748000      0.4191000      -1.174600    
 H   0.5005000      -1.869000      0.5514000    
 H    2.107300       2.078500       1.216400    
 H  -0.1088000       3.054000      0.8346000    
 H    4.159900       1.405800     -0.1936000    
 H    3.779500      0.8801000      -1.844500    
 H    2.717300      -2.433600      -1.046600    
 H    3.739300      -1.674100      -2.262600    
 H    2.183500     -0.9227000      -1.837300    
 H   -4.478400      -2.188800     -0.5139000    
 H   -4.623200       2.762900     -0.1340000    
 H   -6.675500       1.490800     -0.6683000    
 H    7.238800       1.498300      -1.817300    


%chk=000130098-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130098

0 1
S 3.078775 -0.665488 1.362413
F -6.900800 -1.057683 -1.131643
O -2.347248 1.829583 0.320720
O 3.889695 0.451078 2.226149
O 2.850462 -2.197249 1.837106
O -1.984502 -2.337770 -0.129400
O 6.108260 1.757196 -1.890892
O 6.176352 -0.556050 -2.126908
N 4.013322 -0.787277 -0.265755
C 1.364161 0.077053 1.016704
C -0.959175 -0.212246 0.406791
C 0.319248 -0.775497 0.660542
C -1.119620 1.195769 0.542276
C 1.213436 1.475879 1.160642
C -2.100188 -1.081858 0.014223
C -3.381718 -0.362004 -0.201077
C -0.049054 2.040663 0.920089
C -3.462350 1.048657 -0.042535
C 4.398718 0.541657 -0.759762
C 3.377174 -1.719334 -1.218536
C -4.552340 -1.074516 -0.571452
C -4.669592 1.753134 -0.242493
C -5.736750 -0.362937 -0.764983
C -5.823942 1.040404 -0.608267
C 5.641208 0.459555 -1.644900
H 0.440667 -1.862451 0.594425
H 2.060924 2.087628 1.486769
H -0.227191 3.113959 1.026974
H 4.642665 1.184758 0.106367
H 3.605832 1.053330 -1.356009
H 3.081871 -2.633551 -0.677926
H 4.151617 -1.993989 -1.955257
H 2.498692 -1.289652 -1.750424
H -4.498361 -2.160126 -0.694756
H -4.687134 2.837795 -0.109055
H -6.778897 1.547295 -0.771660
H 6.906483 1.716386 -2.484401


