%chk=000095465.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095465

0 1
 S    1.938600      0.4093000      0.3647000    
 O    1.142800      -1.796800     -0.9576000    
 O    3.345500      0.1819000     -0.4278000    
 O    1.646700       1.828100      0.3838000    
 O    1.968500     -0.3819000       1.578500    
 N   -1.114200      -1.122100      0.3710000    
 C   0.8634000     -0.4018000     -0.8258000    
 C  -0.5492000     -0.1696000     -0.4045000    
 C   -1.200400      0.9819000     -0.8168000    
 C   -2.516000       1.167800     -0.4069000    
 C   -2.394100     -0.9069000      0.7497000    
 C   -3.131600      0.2101000      0.3915000    
 H    1.047600      6.4300001E-02  -1.800500    
 H  -0.7141000       1.723700      -1.441200    
 H   -3.060700       2.057100     -0.7093000    
 H    2.083600      -1.879500      -1.189300    
 H   -2.828000      -1.683000       1.371400    
 H   -4.156100      0.3341000      0.7228000    
 H    3.460500      0.7148000      -1.249400    


%chk=000095465-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095465

0 1
S 3.970666 1.447033 0.257382
O 1.073316 -1.419256 -0.231498
O 3.654601 -0.940990 -0.077395
O 2.399773 1.826971 0.479343
O 4.489685 1.811584 -1.232471
N -1.801379 -1.415780 -0.436317
C 0.398447 -0.355566 -0.088114
C -1.080368 -0.273573 -0.183112
C -1.678933 1.002818 -0.007066
C -3.084951 1.112377 -0.096022
C -3.150789 -1.290009 -0.517771
C -3.835435 -0.054818 -0.356151
H 0.923659 0.610610 0.119595
H -1.049960 1.877548 0.191916
H -3.579152 2.080148 0.033570
H 2.662814 -1.214478 -0.122762
H -3.706285 -2.212823 -0.720249
H -4.926699 -0.021334 -0.434320
H 4.153792 -1.238961 -0.874256


