%chk=000080965.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080965

0 1
 S    2.541000     -0.2759000     -0.1016000    
 O   -2.412700      -1.350300      0.4709000    
 O    3.082200     -0.1524000       1.436200    
 O    2.601300      -1.685100     -0.4610000    
 O    3.228000      0.7242000     -0.9039000    
 N   -3.180100       1.335000      0.1242000    
 C   0.8600000      0.1922000     -3.5000000E-02
 C   -1.466400     -0.3952000      0.2471000    
 C  -0.1238000     -0.7697000      0.1939000    
 C   -1.825200      0.9412000      7.1400002E-02
 C   0.5013000       1.528700     -0.2104000    
 C  -0.8413000       1.903100     -0.1573000    
 C   -2.964500      -1.995900     -0.6745000    
 H   0.1408000      -1.813600      0.3404000    
 H    1.250200       2.296700     -0.3819000    
 H   -1.107400       2.948300     -0.2938000    
 H   -3.431300       2.306200     -3.8000001E-03
 H   -3.898700      0.6463000      0.3027000    
 H   -3.727700      -2.701600     -0.3352000    
 H   -2.188200      -2.551400      -1.210200    
 H   -3.434100      -1.268400      -1.344000    
 H    2.637800     -0.7424000       2.089400    


%chk=000080965-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080965

0 1
S 2.379221 -0.364910 -0.248262
O -2.874794 -0.938578 -0.229418
O 2.657467 -0.634031 1.582068
O 2.383761 -1.819241 -0.964287
O 3.402651 0.793752 -0.731810
N -3.280261 1.667998 0.070103
C 0.655593 0.281854 -0.138242
C -1.708631 -0.159392 -0.153388
C -0.398880 -0.652503 -0.221805
C -1.965392 1.247772 0.007876
C 0.461727 1.662259 0.019782
C -0.861901 2.139732 0.086164
C -2.707447 -2.386403 -0.395158
H -0.175509 -1.714419 -0.357079
H 1.316699 2.342425 0.070653
H -1.047270 3.212907 0.202838
H -3.515768 2.649523 0.180215
H -4.021302 0.974051 0.002898
H -3.727276 -2.795572 -0.428867
H -2.155863 -2.820247 0.460240
H -2.177760 -2.616714 -1.338818
H 3.602137 -0.950264 1.687897


