%chk=000147578.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147578

0 1
 S    1.616600     -0.7728000     -3.0000001E-04
 S   -2.672800       2.363900     -6.0000003E-04
 O   -3.265300      -2.289900     -5.0000002E-04
 O    5.477900     -0.6728000     -3.0000001E-04
 O    4.047200      -2.337900     -1.9999999E-04
 N   -1.413100      0.1066000     -8.9999998E-04
 N   -3.820900      7.7000000E-03 -1.4000000E-03
 N    4.287900      -1.097600     -1.9999999E-04
 C   0.9771000      0.8156000      3.9999999E-04
 C  -0.4681000       1.113300       0.000000    
 C    1.968500       1.772000      1.0000000E-03
 C   -2.610500      0.6490000     -1.3000000E-03
 C    3.224400     -0.1836000      3.9999999E-04
 C  -0.9582000       2.401800      5.0000002E-04
 C    3.270400       1.193200      1.0000000E-03
 C   -4.091700      -1.383300     -8.9999998E-04
 C   -5.569300      -1.685300      3.4000000E-03
 H    1.802800       2.841700      1.5000000E-03
 H  -0.4362000       3.348000      1.1000000E-03
 H    4.187300       1.769600      1.3000000E-03
 H   -4.623400      0.6328000     -9.9999997E-05
 H   -6.008200      -1.348600      0.9466000    
 H   -5.728700      -2.761800     -0.1027000    
 H   -6.056800      -1.171700     -0.8300000    


%chk=000147578-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147578

0 1
S 1.372577 -0.757840 -0.001445
S -2.792554 2.629632 -0.005811
O -3.002172 -2.183913 -0.027346
O 5.373706 -0.855072 0.006828
O 3.779151 -2.510607 0.002279
N -1.427690 0.309959 -0.004859
N -3.842053 0.021622 -0.008960
N 4.142095 -1.263561 0.003822
C 0.931769 0.996425 -0.000578
C -0.477111 1.352862 -0.002857
C 2.061854 1.825528 0.002307
C -2.660053 0.754421 -0.006425
C 3.106854 -0.266582 0.002540
C -1.002648 2.642746 -0.002705
C 3.295792 1.113737 0.004091
C -3.976458 -1.402514 -0.013966
C -5.437808 -1.844299 0.009307
H 2.002734 2.916401 0.003175
H -0.477026 3.594280 -0.000899
H 4.286717 1.569975 0.006458
H -4.712027 0.558426 -0.003977
H -5.914475 -1.575882 0.970358
H -5.474820 -2.936631 -0.105837
H -6.019452 -1.379211 -0.807700


