%chk=000097187.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097187

0 1
 S    1.416900      0.6312000     -2.0099999E-02
 O    1.691300      0.8832000       1.385700    
 O    2.352100       1.133700      -1.012200    
 N  -0.1085000       1.338300     -0.3727000    
 N    1.243000     -0.9807000     -0.2295000    
 C   -1.342300      0.5582000     -4.1299999E-02
 C   -1.006800     -0.7110000      0.7629000    
 C   -2.034400      0.1899000      -1.361600    
 C   -2.254000       1.472500      0.7830000    
 C   0.1188000      -1.516900      0.1341000    
 C  -7.6099999E-02  -2.998300     -2.8300000E-02
 H   -1.894700      -1.347100      0.8599000    
 H  -0.6891000     -0.4592000       1.782800    
 H  -0.1768000       1.909700      -1.224900    
 H   -2.306300       1.086800      -1.930300    
 H   -1.380700     -0.4108000      -2.003900    
 H   -2.951300     -0.3822000      -1.182300    
 H   -1.764400       1.784000       1.712900    
 H   -2.507500       2.384500      0.2302000    
 H   -3.189400      0.9667000       1.046400    
 H   0.7976000      -3.453600     -0.5022000    
 H  -0.9565000      -3.181000     -0.6502000    
 H  -0.2287000      -3.451600      0.9547000    


%chk=000097187-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097187

0 1
S 1.532614 0.749767 -0.009683
O 1.900462 0.894256 1.557262
O 2.467411 1.381561 -1.160842
N -0.151791 1.486409 -0.259402
N 1.254964 -1.158331 -0.379193
C -1.343380 0.586164 -0.030673
C -0.896153 -0.646784 0.831547
C -1.943223 0.128182 -1.386417
C -2.376780 1.407594 0.774792
C 0.100417 -1.552162 0.117494
C -0.235585 -3.018103 -0.062630
H -1.795920 -1.221675 1.103170
H -0.431388 -0.268824 1.764572
H -0.123865 1.921439 -1.199553
H -2.270285 1.005950 -1.973931
H -1.208866 -0.434575 -1.990425
H -2.831004 -0.510913 -1.226826
H -1.937173 1.741328 1.729309
H -2.676331 2.306971 0.208303
H -3.284090 0.808291 0.979081
H 0.573553 -3.549282 -0.586757
H -1.177187 -3.125386 -0.633874
H -0.394199 -3.485576 0.927775


