%chk=000124225.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124225

0 1
 S    3.328000       2.567800     -0.1795000    
 F   -2.436300      -2.682900      5.6800000E-02
 O    2.642800      -2.564000      8.0499999E-02
 O    5.038300      -1.611300     -0.5916000    
 O    5.491800      0.3746000      0.4481000    
 N    1.453500       1.250900     -0.1207000    
 N   -3.249100     -3.7099998E-02 -8.4399998E-02
 N   -5.973600      0.8028000      6.1799999E-02
 C    1.517200       2.658900     -0.1934000    
 C   0.4277000      0.3015000     -7.7699997E-02
 C    2.718000      0.9570000     -9.9100001E-02
 C   -1.891100     -0.3742000     -5.7799999E-02
 C   -4.084100     -0.4411000       1.055000    
 C   -3.685100       1.169200     -0.7963000    
 C   0.8082000      -1.057800     -5.9000002E-03
 C  -0.9270000      0.6345000     -0.1032000    
 C   -5.558800     -0.4677000      0.6550000    
 C   -5.174600       1.086200      -1.129100    
 C    3.254800     -0.2695000     -3.3199999E-02
 C    2.269100      -1.398900      1.9500000E-02
 C   -1.508300      -1.716000      1.3200000E-02
 C   0.9930000       3.315700       1.059200    
 C  -0.1575000      -2.064100      3.9900001E-02
 C    4.703100     -0.4344000     -1.7000001E-02
 H    1.089000       3.055500      -1.120600    
 H   -3.931700      0.2697000       1.877900    
 H   -3.815100      -1.431400       1.437300    
 H   -3.132400       1.286700      -1.736700    
 H   -3.497700       2.056200     -0.1774000    
 H   -1.213100       1.680100     -0.1571000    
 H   -5.744800      -1.288100     -4.9600001E-02
 H   -6.169100     -0.6630000       1.543500    
 H   -5.500700       2.038600      -1.561200    
 H   -5.349700      0.3132000      -1.888100    
 H   -6.957700      0.7467000     -0.1989000    
 H  -0.1003000       3.277500       1.099700    
 H    1.370700       2.854800       1.980100    
 H    1.266400       4.377200       1.083500    
 H   0.1191000      -3.112700      9.5200002E-02
 H    6.008700      -1.754700     -0.5974000    


%chk=000124225-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124225

0 1
S 3.487467 2.541170 -0.401436
F -2.441057 -2.762213 0.184253
O 2.614665 -2.745454 0.155667
O 5.288998 -1.788288 -0.104897
O 5.509761 0.508956 -0.315925
N 1.461269 1.225668 -0.160662
N -3.313263 -0.037821 0.007000
N -6.072569 0.724941 0.027899
C 1.513721 2.709269 -0.290799
C 0.436779 0.271919 -0.056194
C 2.788351 0.875176 -0.201968
C -1.949844 -0.360132 0.055219
C -4.275096 -0.661913 0.963013
C -3.722752 1.315826 -0.430778
C 0.867993 -1.087476 0.057700
C -0.929978 0.629125 -0.053113
C -5.698250 -0.661491 0.380687
C -5.160615 1.283876 -0.988328
C 3.295222 -0.412599 -0.115245
C 2.309218 -1.515777 0.042735
C -1.484064 -1.716379 0.154565
C 1.022051 3.513271 0.903586
C -0.143831 -2.075169 0.165486
C 4.758152 -0.508821 -0.186300
H 1.119131 3.051837 -1.261911
H -4.276832 -0.074386 1.907309
H -3.960638 -1.690336 1.184567
H -3.042949 1.657539 -1.231055
H -3.678543 2.040800 0.413916
H -1.209198 1.683834 -0.107650
H -5.722471 -1.353323 -0.496207
H -6.397152 -1.044992 1.145448
H -5.470661 2.316192 -1.232753
H -5.149434 0.688425 -1.934915
H -7.063405 0.824645 -0.223324
H -0.078040 3.452277 1.003168
H 1.479843 3.148901 1.837991
H 1.290378 4.576446 0.773650
H 0.158096 -3.125759 0.224921
H 6.281150 -1.711366 -0.165020


