%chk=000093141.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093141

0 1
 S   -3.636900     -5.2499998E-02 -0.3299000    
 O   -2.279700      7.2499998E-02  0.5710000    
 O   -3.622700      -1.310300      -1.048800    
 O   -3.891000       1.209400     -0.9947000    
 O    2.851600      -2.683600     -0.3050000    
 O   0.8994000      -2.219800      0.5960000    
 N    1.397200      0.5091000      0.3235000    
 N    3.152600       1.556100     -0.5076000    
 N    1.991100      -1.842000      8.2000002E-02
 C   8.5699998E-02  0.3163000      0.9386000    
 C   -1.032600      0.2195000     -9.0499997E-02
 C    1.967700       1.708800      4.1000001E-02
 C    2.250700     -0.4745000     -5.9400000E-02
 C    3.334700      0.1973000     -0.5735000    
 C    1.305400       2.996500      0.3326000    
 C   -4.773300     -0.2028000       1.024800    
 H   9.7800002E-02 -0.4969000       1.666300    
 H  -0.1054000       1.191400       1.573000    
 H   -1.062000       1.120200     -0.7137000    
 H  -0.8749000     -0.6388000     -0.7527000    
 H    4.240400     -0.2219000     -0.9886000    
 H    1.903700       3.826800     -5.7000000E-02
 H   0.3188000       3.056200     -0.1357000    
 H    1.197600       3.146900       1.411200    
 H   -5.780300     -0.3013000      0.6140000    
 H   -4.517800      -1.092100       1.603900    
 H   -4.708300      0.6950000       1.642400    


%chk=000093141-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093141

0 1
S -3.183292 0.824975 0.620943
O -2.230415 -0.787588 0.891697
O -2.847909 1.339327 -0.884263
O -2.947137 1.825613 1.869936
O 3.805713 -2.223168 0.132238
O 1.695595 -2.311714 1.027246
N 1.286308 0.421214 0.231748
N 2.667176 1.666067 -1.089114
N 2.656434 -1.689498 0.396041
C 0.101656 0.070038 1.042730
C -0.918275 -0.759824 0.224990
C 1.471107 1.637578 -0.426306
C 2.434911 -0.351290 -0.045744
C 3.267146 0.442796 -0.853898
C 0.486184 2.762376 -0.403865
C -4.896270 0.024418 0.717216
H 0.417521 -0.494537 1.931385
H -0.363389 1.014537 1.372878
H -1.020282 -0.362985 -0.805384
H -0.621379 -1.822421 0.185350
H 4.236540 0.174618 -1.264880
H 0.878346 3.565988 -1.044656
H -0.509005 2.460710 -0.781203
H 0.343800 3.171843 0.614146
H -5.621343 0.846630 0.643510
H -4.949677 -0.673363 -0.127784
H -4.930564 -0.486838 1.688243


