%chk=000030927.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030927

0 1
 S    2.312000     -0.6267000     -0.7402000    
 S    4.189700     -0.1553000      6.0199998E-02
 O    5.217400      -1.155200     -0.7152000    
 O    4.502600       1.203500     -0.3388000    
 O    4.171200     -0.5327000       1.460400    
 N   -3.101400     -0.2115000      0.2827000    
 N   -4.870100      -1.708400      0.2260000    
 N   -5.272600      0.3988000     -0.5439000    
 C  -0.2332000      0.3189000     -0.2964000    
 C   -1.167700       1.277300      0.4510000    
 C    1.213000      0.5091000      0.1532000    
 C   -2.619700       1.142500      5.5000000E-03
 C   -4.341100     -0.4603000     -4.6000001E-03
 H  -0.5428000     -0.7173000     -0.1137000    
 H  -0.3195000      0.5023000      -1.374900    
 H  -0.8410000       2.311100      0.2861000    
 H   -1.097500       1.084400       1.528800    
 H    1.306100      0.3168000       1.227000    
 H    1.539300       1.536500     -3.7900001E-02
 H   -2.691600       1.363500      -1.066400    
 H   -3.217700       1.880100      0.5544000    
 H   -4.305000      -2.451600      0.6222000    
 H   -5.837200      -1.922800      9.2000002E-03
 H   -6.221900      9.1899998E-02 -0.7274000    
 H   -5.050600       1.359700     -0.7785000    
 H    5.025600      -2.117200     -0.6157000    


%chk=000030927-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000030927

0 1
S 2.631976 0.339069 -1.024495
S 1.611604 -1.259249 0.597863
O 0.191602 -1.715724 -0.191928
O 2.625357 -2.500502 0.810862
O 1.241169 -0.324285 1.893651
N -1.962646 -0.245705 -0.183817
N -2.367046 -2.519575 0.010418
N -4.201527 -1.010779 0.015176
C 0.157935 1.836958 -0.849285
C -0.870702 1.891667 0.320144
C 1.632622 1.798094 -0.360163
C -2.212649 1.198793 -0.018114
C -2.848870 -1.244752 -0.058099
H -0.022796 0.940059 -1.469688
H 0.002820 2.702878 -1.521424
H -1.077401 2.940416 0.603869
H -0.442051 1.388343 1.208056
H 1.694927 1.725850 0.741718
H 2.209711 2.686139 -0.674977
H -2.644084 1.628094 -0.947140
H -2.935092 1.365635 0.807868
H -1.326147 -2.620769 0.028218
H -2.968003 -3.330907 -0.108201
H -4.848430 -1.749654 0.276639
H -4.573568 -0.079079 -0.146974
H -0.952410 -0.603617 -0.247076


