%chk=000128174.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128174

0 1
 S   -2.250600     -0.2767000     -0.6118000    
 O   0.7885000      -1.634500       1.199500    
 O    2.112100       1.021200      0.9319000    
 O    2.707000      -1.201500     -0.6745000    
 O   -3.177600      0.8058000     -0.1582000    
 N  -0.2747000       2.481500      0.4113000    
 C  -0.6471000      1.7600000E-02  0.2082000    
 C   3.7300002E-02   1.283000     -0.3558000    
 C   0.3326000      -1.144000     -6.0400002E-02
 C    1.531900      0.9330000     -0.3654000    
 C    1.485800     -0.5148000     -0.8510000    
 C   -2.645300      -1.770500      0.3262000    
 H  -0.8460000      0.1231000       1.282300    
 H  -0.2769000       1.455800      -1.393600    
 H  -6.9700003E-02  -1.995800     -0.6134000    
 H    2.115900       1.568800      -1.038800    
 H    1.237400     -0.5207000      -1.920300    
 H  -5.7999999E-03   2.349400       1.385500    
 H   -1.283800       2.626200      0.4195000    
 H    1.243300     -0.9096000       1.661100    
 H    2.089100       1.956700       1.195300    
 H    2.559300      -2.129100     -0.9260000    
 H   -3.693200      -2.019200      0.1377000    
 H   -2.514300      -1.595700       1.396800    
 H   -2.033300      -2.612400      3.0000001E-04


%chk=000128174-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128174

0 1
S -1.993764 -1.146577 -0.847221
O 1.724742 -1.588580 1.046403
O 2.195086 1.066337 0.642848
O 2.866363 -0.833600 -1.503219
O -2.247236 0.198567 -1.818367
N -0.241225 1.771162 1.212204
C -0.415236 -0.594839 0.307939
C -0.156776 0.896661 0.011617
C 0.833928 -1.401597 -0.109342
C 1.313891 0.927259 -0.536523
C 1.506502 -0.473391 -1.165091
C -3.334331 -0.965075 0.516106
H -0.740640 -0.845762 1.331946
H -0.868699 1.209753 -0.795021
H 0.611493 -2.413467 -0.482775
H 1.497974 1.752652 -1.246476
H 0.952708 -0.512027 -2.120725
H -0.673249 1.337442 2.034118
H -0.636548 2.698639 1.025615
H 2.083103 -0.666037 1.255759
H 1.592884 1.609572 1.269035
H 3.372009 -0.944037 -0.656473
H -4.298540 -1.120459 0.011327
H -3.260587 0.059964 0.908588
H -3.161951 -1.724961 1.294127


