%chk=000102676.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102676

0 1
 S    3.655900       2.326300       1.166400    
 O    3.688000      -1.211900      -2.399900    
 O    2.730800      -2.581900     -0.8659000    
 O    4.952700       2.528700      0.4446000    
 O   -2.067800      -2.260100       2.312200    
 O  -3.6800001E-02  -2.327300       1.481800    
 O   -4.841800       2.080600      -1.131300    
 O   -5.352500      0.7428000      0.5325000    
 N   0.6964000     -0.8787000     -0.4026000    
 N   -1.200900      -1.863100       1.498800    
 N   -4.532600       1.186500     -0.3071000    
 C    1.701800     -0.4224000      -1.338500    
 C    2.366900      0.8675000     -0.8371000    
 C    2.947100      0.7635000      0.5721000    
 C  -0.5949000     -0.3829000     -0.3641000    
 C    2.732000      -1.526600      -1.486200    
 C   -1.550300     -0.8506000      0.5620000    
 C  -0.9901000      0.6222000      -1.269500    
 C   -2.846100     -0.3342000      0.5808000    
 C   -2.285600       1.138400      -1.250700    
 C   -3.213600      0.6602000     -0.3255000    
 C    4.041400       1.722900       2.827000    
 H    1.284400     -0.2933000      -2.344100    
 H    3.162700       1.167400      -1.531000    
 H    1.639300       1.688100     -0.8538000    
 H    2.164300      0.4845000       1.284600    
 H    3.733900      3.3000000E-03  0.6126000    
 H    1.000200      -1.513100      0.3241000    
 H  -0.3159000       1.036600      -2.012400    
 H   -3.572700     -0.7038000       1.300600    
 H   -2.537300       1.912700      -1.971100    
 H    3.116500       1.457100       3.344100    
 H    4.545400       2.520300       3.378300    
 H    4.700400      0.8536000       2.765400    
 H    4.355300      -1.925200      -2.490600    


%chk=000102676-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102676

0 1
S 4.483255 1.789982 1.085193
O 3.786144 -0.676205 -2.065577
O 3.317624 -1.444357 0.089249
O 5.060851 1.186480 -0.374968
O -2.131515 -2.224330 2.431881
O 0.056225 -2.004086 1.844018
O -5.220117 1.328867 -1.696990
O -5.673819 -0.040246 0.076858
N 0.719937 -0.513958 -0.211446
N -1.215852 -1.738958 1.667898
N -4.856043 0.530030 -0.745059
C 1.767755 0.090190 -1.039749
C 2.143714 1.550256 -0.598617
C 2.496184 1.694552 0.886390
C -0.618449 -0.256023 -0.322323
C 3.023495 -0.771672 -0.925883
C -1.600180 -0.850590 0.566659
C -1.131859 0.621102 -1.343231
C -2.979300 -0.593898 0.423849
C -2.493309 0.872239 -1.485354
C -3.416703 0.259994 -0.595122
C 4.696540 0.356578 2.341260
H 1.470357 0.118837 -2.102811
H 3.011204 1.855047 -1.221121
H 1.294558 2.215904 -0.838802
H 2.152253 2.646811 1.318988
H 2.165107 0.851510 1.513821
H 0.999677 -1.178205 0.534626
H -0.434553 1.094674 -2.038015
H -3.691862 -1.059939 1.109326
H -2.872488 1.532276 -2.270089
H 4.155761 0.621681 3.263706
H 5.778085 0.280076 2.523840
H 4.299555 -0.553819 1.869317
H 4.734269 -0.902700 -1.865219


