%chk=000004290.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004290

0 1
 S   -5.181300      0.5198000     -0.6135000    
 F    3.840200       2.310300      0.7246000    
 O   0.7781000      -2.154500      0.9115000    
 O   -5.324700       1.963500     -0.4872000    
 O   -5.505500     -0.1317000      -1.874800    
 N    1.288000      8.4299996E-02   1.234300    
 N   -6.069000     -0.2338000      0.6370000    
 C    2.673000     -0.1102000       1.598700    
 C  -0.9408000     -0.6035000      0.5399000    
 C   -3.548800      8.7600000E-02 -0.1696000    
 C    3.584000     -2.8300000E-02  0.4081000    
 C   0.4187000     -0.9638000      0.9100000    
 C   -1.677700      -1.435100     -0.3031000    
 C   -1.507800      0.5737000       1.028400    
 C   -2.981700      -1.089500     -0.6579000    
 C   -2.811900      0.9191000      0.6736000    
 C    4.124000       1.196800      3.4800000E-02
 C    3.878300      -1.181800     -0.3095000    
 C    4.970100       1.269500      -1.071800    
 C    4.724400      -1.109100      -1.416100    
 C    5.270300      0.1166000      -1.797300    
 H    2.786600      -1.078500       2.100400    
 H    2.929800      0.6579000       2.337000    
 H   0.9783000       1.046500       1.147900    
 H   -1.253100      -2.355000     -0.6969000    
 H  -0.9817000       1.232700       1.712700    
 H   -3.539300      -1.754500      -1.311400    
 H   -3.238700       1.833500       1.076100    
 H    3.462100      -2.143000     -2.1900000E-02
 H    5.394800       2.224000      -1.368500    
 H    4.958500      -2.006800      -1.980600    
 H    5.929100      0.1732000      -2.658900    
 H   -6.507100      0.3713000       1.342100    
 H   -6.628200      -1.060300      0.3932000    


%chk=000004290-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004290

0 1
S -5.334879 0.568547 -0.584771
F 3.145716 2.160801 0.465934
O 0.730932 -2.323493 0.902028
O -5.405684 2.195598 -0.609559
O -5.780789 -0.373062 -1.836519
N 1.346869 -0.102650 1.223287
N -6.329074 0.051608 0.874275
C 2.748055 -0.435870 1.541540
C -0.972701 -0.624706 0.572521
C -3.580319 0.076396 -0.101525
C 3.693861 -0.194062 0.371377
C 0.426556 -1.088111 0.910150
C -1.796637 -1.537868 -0.133761
C -1.485641 0.647076 0.939845
C -3.116906 -1.191525 -0.486095
C -2.807097 1.011039 0.602729
C 3.884448 1.105505 -0.142002
C 4.418698 -1.235766 -0.255490
C 4.739093 1.417586 -1.206909
C 5.294384 -0.966917 -1.333658
C 5.456020 0.355546 -1.807557
H 2.765411 -1.500571 1.824030
H 3.059235 0.168473 2.413488
H 1.122426 0.884197 1.087097
H -1.379347 -2.516504 -0.389760
H -0.881667 1.355619 1.517240
H -3.758615 -1.868829 -1.058142
H -3.219008 1.991233 0.861734
H 4.285111 -2.262108 0.103345
H 4.836813 2.451095 -1.551052
H 5.844581 -1.787624 -1.804894
H 6.131772 0.565057 -2.643018
H -6.850183 0.878362 1.210669
H -6.940432 -0.733172 0.594722


