%chk=000053175.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053175

0 1
 S    3.561200      0.5908000      -1.058900    
 N   -2.644800       1.732700     -0.1486000    
 N    1.743800     -1.3500000E-02  0.9483000    
 C   -1.748000      0.6477000     -5.9300002E-02
 C  -0.4471000      0.8537000      0.3996000    
 C   0.4396000     -0.2195000      0.4876000    
 C   -2.162400     -0.6315000     -0.4299000    
 C   2.5300000E-02  -1.498800      0.1168000    
 C   -1.275800      -1.704700     -0.3419000    
 C    2.508100      0.2431000      8.6199999E-02
 H  -0.1238000       1.850800      0.6913000    
 H   -3.173600     -0.8052000     -0.7889000    
 H   0.7066000      -2.343100      0.1833000    
 H   -1.598600      -2.700900     -0.6301000    
 H   -2.345000       2.660700      0.1193000    
 H   -3.587900       1.583700     -0.4818000    


%chk=000053175-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053175

0 1
S 4.564397 0.597037 0.269504
N -2.792036 1.716600 -0.019675
N 1.781147 0.072913 0.081252
C -1.885872 0.658217 -0.065938
C -0.488445 0.901088 0.032003
C 0.424225 -0.182649 -0.016099
C -2.345029 -0.685392 -0.212458
C -0.032175 -1.521151 -0.161939
C -1.421158 -1.747515 -0.258046
C 2.963359 0.295729 0.160485
H -0.104640 1.920722 0.144652
H -3.419952 -0.886614 -0.289183
H 0.687628 -2.342875 -0.197081
H -1.789485 -2.773031 -0.370831
H -2.473365 2.675159 0.085179
H -3.790999 1.547763 -0.088824


