%chk=000085294.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085294

0 1
 S  -0.9421000      0.7306000      0.6913000    
 O    4.118400      0.1071000     -3.0000001E-04
 N   -3.209900      0.7963000     -0.6512000    
 N   -2.587300      -1.310700      0.2154000    
 C    1.749300      0.3428000      0.2671000    
 C   0.3821000     -0.1957000     -0.1362000    
 C    2.870300     -0.4251000     -0.4218000    
 C   -2.380800     -4.5200001E-02  3.5700001E-02
 H    1.887900      0.2763000       1.354000    
 H    1.838900       1.407000      1.3600000E-02
 H   0.3049000      -1.253900      0.1333000    
 H   0.2454000     -0.1109000      -1.219500    
 H    2.837600      -1.486500     -0.1559000    
 H    2.799300     -0.3276000      -1.509800    
 H    4.812700     -0.4003000     -0.4542000    
 H   -4.068200      0.4606000      -1.074500    
 H   -2.990200       1.780500     -0.7588000    
 H   -1.819000      -1.700300      0.7713000    


%chk=000085294-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085294

0 1
S -0.900126 0.978901 0.438958
O 4.212239 0.185603 -0.046689
N -3.504767 0.876467 -0.252308
N -2.516114 -1.239107 -0.461663
C 1.823599 0.409911 0.113349
C 0.444704 -0.246296 -0.076761
C 2.957823 -0.548297 -0.274509
C -2.418335 0.024877 -0.165310
H 1.965192 0.713514 1.167041
H 1.902423 1.321925 -0.505718
H 0.348784 -1.148924 0.553964
H 0.264165 -0.514975 -1.132581
H 2.914880 -1.466811 0.351754
H 2.859246 -0.846580 -1.341606
H 4.982108 -0.390197 -0.283755
H -4.407575 0.468887 -0.489261
H -3.394208 1.886250 -0.220368
H -1.684739 -1.820147 -0.275037


