%chk=000074833.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074833

0 1
 S    3.456200      0.3442000     -0.1447000    
 O    3.861000       1.221200      0.9451000    
 O    4.224300     -0.8607000     -0.4265000    
 O   -3.696400       1.332500      0.7085000    
 N   -3.185400     -0.6832000     -0.3322000    
 N    3.337000       1.265900      -1.578500    
 C  -0.8781000     -0.8279000      0.4958000    
 C    1.787700     -0.1065000      0.1011000    
 C   -2.303000      -1.214300      0.7080000    
 C  -0.3849000      0.3518000       1.053300    
 C  -3.8300000E-02  -1.646900     -0.2590000    
 C   0.9481000      0.7125000      0.8560000    
 C    1.294600      -1.286200     -0.4563000    
 C   -3.796600      0.5430000     -0.2270000    
 C   -4.626300      0.8546000      -1.443700    
 H   -2.416000      -2.304400      0.6996000    
 H   -2.655200     -0.8669000       1.686700    
 H   -1.026700      0.9987000       1.645100    
 H  -0.4113000      -2.567000     -0.7010000    
 H    1.309300       1.638400       1.294700    
 H    1.928900      -1.935500      -1.053200    
 H   -3.321400      -1.244300      -1.168300    
 H    3.471400       2.281800      -1.504800    
 H    3.718200      0.8578000      -2.440800    
 H   -5.217200       1.757300      -1.265000    
 H   -3.969800       1.020400      -2.302500    
 H   -5.308300      2.7100001E-02  -1.659400    


%chk=000074833-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000074833

0 1
S 3.616127 0.443973 -0.051425
O 3.791503 1.824133 0.795771
O 4.530195 -0.883356 0.187611
O -4.332315 0.499698 1.290713
N -3.224726 -0.501231 -0.493016
N 3.820949 0.898243 -1.827746
C -0.858983 -0.858627 0.242029
C 1.811358 -0.077057 0.057157
C -2.318766 -1.282610 0.363976
C -0.496539 0.501338 0.431637
C 0.149678 -1.816162 -0.027275
C 0.850606 0.907573 0.341962
C 1.506656 -1.433345 -0.123938
C -4.193325 0.343309 0.039422
C -5.072733 1.060747 -0.978732
H -2.421987 -2.360482 0.136644
H -2.682400 -1.116885 1.396499
H -1.273758 1.238058 0.661784
H -0.121568 -2.869891 -0.161091
H 1.153110 1.945257 0.514499
H 2.302309 -2.161279 -0.311323
H -3.123617 -0.574239 -1.506386
H 4.083156 1.897696 -1.868110
H 4.541232 0.275110 -2.230472
H -6.126260 0.784984 -0.799493
H -4.991255 2.150078 -0.822794
H -4.816849 0.828366 -2.026903


