%chk=000078917.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078917

0 1
 S    2.951000      0.1962000       1.401200    
 O    2.974000      -1.003300       2.224000    
 O    3.455700       1.452900       1.930900    
 O   -1.702300      -2.458800      0.6751000    
 O   -3.029300       2.545400     -0.6444000    
 N   0.7487000      -1.817500       1.202400    
 N  -0.6274000       3.453000     -0.1790000    
 C  -0.9629000     -0.2173000      0.4394000    
 C   -1.310900       1.090400      9.4800003E-02
 C    1.299800      0.5080000      0.9013000    
 C   0.3456000     -0.5084000      0.8434000    
 C  -0.3504000       2.107400      0.1548000    
 C   -1.966200      -1.299800      0.3809000    
 C   -3.343000     -0.9791000     -4.7899999E-02
 C   0.9525000       1.813000      0.5577000    
 C   -3.690900      0.3286000     -0.3927000    
 C   -2.687400       1.411100     -0.3344000    
 C    3.899200     -0.2097000     -3.7700001E-02
 C   -4.303400      -1.996000     -0.1080000    
 C   -4.999300      0.6195000     -0.7973000    
 C   -5.605900      -1.702000     -0.5123000    
 C   -5.953100     -0.3969000     -0.8559000    
 C    4.526600      0.8042000     -0.7380000    
 C    3.991400      -1.531700     -0.4322000    
 C    5.272400      0.4848000      -1.872700    
 C    4.737300      -1.851200      -1.566700    
 C    5.377800     -0.8429000      -2.287000    
 H    1.691400       2.610300      0.5889000    
 H   -4.060700      -3.022200      0.1544000    
 H   -5.297600       1.627900      -1.071100    
 H    1.696700      -2.034400       1.464700    
 H   8.3899997E-02  -2.577700       1.171900    
 H   0.1038000       4.149300     -0.1162000    
 H   -1.551300       3.732900     -0.4759000    
 H   -6.350500      -2.491400     -0.5589000    
 H    4.450100       1.843800     -0.4349000    
 H    3.502200      -2.334800      0.1085000    
 H   -6.968000     -0.1707000      -1.170100    
 H    5.769700       1.270000      -2.434700    
 H    4.819100      -2.884900      -1.890000    
 H    5.958000      -1.091500      -3.170700    


%chk=000078917-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078917

0 1
S 3.107745 0.300492 1.487715
O 3.190295 -0.975294 2.524874
O 3.702333 1.772498 1.880028
O -1.670645 -2.549559 0.724946
O -3.053061 2.633906 -0.645300
N 0.726868 -1.802220 1.375116
N -0.700650 3.490389 -0.016993
C -0.971493 -0.236989 0.499336
C -1.337140 1.116222 0.143002
C 1.278806 0.561628 1.016148
C 0.358423 -0.543749 0.975311
C -0.383830 2.186174 0.279743
C -1.956265 -1.327587 0.402016
C -3.321860 -1.007685 -0.087366
C 0.942945 1.867621 0.723439
C -3.678069 0.322985 -0.447349
C -2.695125 1.427449 -0.332780
C 3.958135 -0.210838 -0.132364
C -4.282174 -2.046222 -0.198337
C -4.989189 0.599435 -0.914012
C -5.580387 -1.763924 -0.661876
C -5.935287 -0.436284 -1.021490
C 4.643075 0.793781 -0.833325
C 3.914496 -1.557948 -0.524996
C 5.309130 0.421056 -2.023941
C 4.584231 -1.908535 -1.720867
C 5.273841 -0.922813 -2.466073
H 1.702008 2.652571 0.831925
H -3.980044 -3.058458 0.086268
H -5.233273 1.631951 -1.181154
H 1.598012 -1.914919 1.912107
H -0.014769 -2.521628 1.299913
H -0.013486 4.231796 0.101751
H -1.668224 3.658242 -0.348684
H -6.318992 -2.568419 -0.745438
H 4.671127 1.816919 -0.443990
H 3.394379 -2.308270 0.077924
H -6.946704 -0.219729 -1.381772
H 5.857508 1.175663 -2.597025
H 4.570514 -2.948473 -2.062561
H 5.793194 -1.204734 -3.388269


