%chk=000097613.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097613

0 1
 S    2.081900      -1.520900     -0.8048000    
 S    2.926600       1.212500      4.5200001E-02
 F   -3.657600      -1.865700     -0.1611000    
 O    1.097900     -0.9751000      -1.718800    
 O    2.683300      -2.815900      -1.063200    
 O    4.144700       1.912900      0.4072000    
 O    1.964400       1.829400     -0.8465000    
 O   -1.774400     -0.7754000       1.849300    
 O   -2.969800       2.097100      -1.540800    
 N  -0.1571000      0.3450000      0.6603000    
 N   -2.444000      0.6550000      0.1533000    
 N   -2.024000       1.607700     -0.9141000    
 C   0.9482000     -0.2244000       1.392300    
 C    1.376300      -1.578400      0.8302000    
 C    2.100400      0.7640000       1.558900    
 C    3.402700     -0.3507000     -0.6406000    
 C   -1.479400      1.8700000E-02  0.9502000    
 C   -3.868000      0.4107000      0.3452000    
 C   -4.352000     -0.7466000     -0.5022000    
 H   0.5798000     -0.4217000       2.408000    
 H    2.130900      -2.037500       1.478900    
 H   0.5251000      -2.265800      0.7706000    
 H    1.744900       1.701200       2.001700    
 H    2.867000      0.3482000       2.222200    
 H    4.166900     -0.7883000      7.1000000E-03
 H    3.826200     -0.1733000      -1.632100    
 H   6.2899999E-02  0.9239000     -0.1418000    
 H   -4.026500      0.1579000       1.400000    
 H   -4.446200       1.319200      0.1475000    
 H   -4.192500     -0.5675000      -1.569400    
 H   -5.413800     -0.9430000     -0.3298000    


%chk=000097613-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097613

0 1
S 1.910086 -1.728517 -0.741423
S 2.938483 1.311979 -0.031914
F -3.559295 -1.980085 -0.639592
O 0.722533 -1.302546 -1.764143
O 2.698652 -3.154330 -0.867874
O 4.363106 2.061745 0.224475
O 1.725481 2.023038 -0.872527
O -1.704126 -0.753891 1.951352
O -2.954534 2.182900 -1.356870
N -0.123874 0.492514 0.778606
N -2.428936 0.675103 0.227165
N -2.010660 1.689278 -0.659071
C 0.959209 -0.127935 1.548238
C 1.282929 -1.570409 1.093895
C 2.170476 0.801202 1.683888
C 3.339127 -0.390888 -0.856930
C -1.408574 0.078516 1.045900
C -3.835490 0.239732 0.329971
C -4.251432 -0.704966 -0.802775
H 0.573335 -0.275370 2.581870
H 2.088846 -2.046726 1.675613
H 0.373577 -2.193230 1.093024
H 1.899387 1.780516 2.109256
H 3.012129 0.347262 2.229663
H 4.218185 -0.809931 -0.346637
H 3.480135 -0.192769 -1.930516
H 0.086819 1.143162 0.001988
H -3.945490 -0.264493 1.302911
H -4.472599 1.142883 0.293217
H -3.987091 -0.311479 -1.798135
H -5.335596 -0.909065 -0.739725


