%chk=000080774.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080774

0 1
 S    2.267800      -1.019400     -0.1800000    
 O   -3.409200      0.5122000      0.3587000    
 O    2.944400     -0.6856000       1.268700    
 O    2.300300      -2.463400     -0.3452000    
 O    2.861900     -0.1411000      -1.173100    
 O   0.8095000       3.033300      0.1290000    
 O    2.403100       1.536900     -7.1900003E-02
 N    1.192800       1.843000      4.1600000E-02
 N   -2.707800      -2.206200      0.1754000    
 C   0.5908000     -0.5375000     -1.9700000E-02
 C   0.2213000      0.8043000      7.2899997E-02
 C  -0.3850000      -1.533500      1.4900000E-02
 C   -1.730400      -1.187800      0.1418000    
 C   -2.100000      0.1540000      0.2341000    
 C   -1.124100       1.150100      0.1998000    
 C   -4.135300      0.7408000     -0.8471000    
 H  -0.1195000      -2.585200     -5.2999999E-02
 H   -1.446500       2.186100      0.2755000    
 H   -3.683900      -1.964600      0.2829000    
 H   -2.431700      -3.176900      0.1108000    
 H    2.564100      -1.174400       2.036100    
 H   -3.708800       1.587200      -1.394600    
 H   -5.169200      0.9805000     -0.5839000    
 H   -4.133900     -0.1530000      -1.478900    


%chk=000080774-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080774

0 1
S 2.373053 -1.316100 0.063119
O -3.578809 -0.025314 -0.301507
O 3.053676 -0.613153 1.600419
O 2.286130 -2.899156 0.359567
O 3.145799 -0.779842 -1.246697
O 0.514649 2.951997 -0.395022
O 2.241605 1.638682 0.293433
N 1.001407 1.800359 -0.070618
N -2.691112 -2.512040 0.036001
C 0.554734 -0.700296 0.057566
C 0.119058 0.638588 -0.094346
C -0.358143 -1.757799 0.097666
C -1.752350 -1.511413 -0.011542
C -2.193100 -0.151718 -0.189311
C -1.273933 0.897898 -0.227133
C -4.129154 1.322950 -0.505673
H 0.024833 -2.778862 0.211736
H -1.576934 1.940893 -0.346424
H -3.675734 -2.268375 -0.060337
H -2.422631 -3.484350 0.164819
H 3.054266 0.380812 1.426097
H -3.895156 1.975069 0.356237
H -5.216061 1.182033 -0.585537
H -3.735393 1.768936 -1.437714


