%chk=000056734.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056734

0 1
 S  -0.6547000      -1.340400      9.9799998E-02
 O   7.9400003E-02   2.459500      0.3699000    
 O  -2.6200000E-02   1.190800      -1.503800    
 N    3.918200      -1.007800     -8.9500003E-02
 N   -3.125600      -1.260900     -0.7985000    
 N   -2.630400      0.2253000      0.9690000    
 C    1.792600     -0.2333000      0.8571000    
 C   0.3068000      0.1046000      0.6631000    
 C    2.523500     -0.7103000     -0.4035000    
 C   0.1086000       1.270100     -0.2900000    
 C   -2.292200     -0.6977000      0.1264000    
 H    2.303500      0.6616000       1.238600    
 H    1.883900     -0.9951000       1.643500    
 H  -9.8999999E-02  0.3918000       1.640500    
 H    2.497700      6.3600004E-02  -1.176900    
 H    2.062800      -1.612800     -0.8156000    
 H    4.382700      -1.366100     -0.9229000    
 H    3.962100      -1.752800      0.6046000    
 H  -5.5100001E-02   3.213500     -0.2431000    
 H   -4.095000     -0.9745000     -0.8809000    
 H   -2.798000      -1.982300      -1.431700    
 H   -3.618500      0.4596000      0.8240000    


%chk=000056734-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056734

0 1
S -0.718223 -0.995371 -0.805510
O 1.280280 2.468687 -0.110566
O -0.503654 2.024166 -1.520029
N 3.747712 -1.146075 0.344035
N -3.324132 -1.630819 -0.594052
N -2.431717 -0.249904 1.204030
C 1.510892 -0.176907 0.762274
C 0.178211 0.341895 0.190858
C 2.552622 -0.573957 -0.304933
C 0.250879 1.641054 -0.602654
C -2.353650 -0.908384 0.084212
H 1.954104 0.600511 1.409012
H 1.280535 -1.052741 1.399398
H -0.559437 0.507853 1.018750
H 2.864264 0.332155 -0.856847
H 2.067613 -1.260770 -1.042927
H 4.576066 -1.197931 -0.255439
H 3.571897 -2.029674 0.833030
H 1.245997 3.334813 -0.600757
H -4.249287 -1.759400 -0.189028
H -3.154098 -1.974306 -1.538067
H -3.359774 -0.188498 1.655308


