%chk=000169349.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169349

0 1
 S    7.645300     -0.6136000      0.1283000    
 O    3.628800      0.8231000      0.8179000    
 O    6.140500     -3.0000000E-03 -5.3300001E-02
 O    7.521800      -2.122900     -0.4784000    
 O    8.529000      0.1371000     -0.7442000    
 O    7.941100     -0.7248000       1.544400    
 C   -5.185400     -5.9400000E-02  0.1703000    
 C   -6.567600     -0.3846000     -0.4004000    
 C   -4.034200     -0.4921000     -0.7433000    
 C   -7.680600      8.8500001E-02  0.5390000    
 C   -2.653700     -9.9500000E-02 -0.2058000    
 C   -9.062800     -0.2023000     -5.0000001E-02
 C   -1.507700     -0.5462000      -1.121800    
 C   -10.21330      0.2241000      0.8643000    
 C  -0.1388000     -0.1809000     -0.6053000    
 C   -11.58850      2.4999999E-03  0.2534000    
 C   0.4356000       1.041500     -0.9538000    
 C   0.5531000      -1.066100      0.2216000    
 C    1.701800       1.378800     -0.4757000    
 C    1.819300     -0.7289000      0.6996000    
 C    2.393600      0.4935000      0.3511000    
 C    4.429300       1.670400     -4.9000001E-03
 C    5.893400       1.365200      0.2469000    
 H   -5.070600     -0.5460000       1.146800    
 H   -5.114400       1.021400      0.3449000    
 H   -6.653000      -1.466000     -0.5610000    
 H   -6.681000      9.8399997E-02  -1.378500    
 H   -4.172400     -4.1800000E-02  -1.734000    
 H   -4.074400      -1.579600     -0.8805000    
 H   -7.580600       1.165600      0.7193000    
 H   -7.581800     -0.4133000       1.509000    
 H   -2.613200      0.9892000     -7.4000001E-02
 H   -2.517400     -0.5385000      0.7906000    
 H   -9.151900      -1.275900     -0.2580000    
 H   -9.159100      0.3153000      -1.012500    
 H   -1.557200      -1.633000      -1.269500    
 H   -1.643400     -0.1099000      -2.120100    
 H   -10.10600       1.287300       1.110500    
 H   -10.14990     -0.3286000       1.809100    
 H   -11.70090      0.5747000     -0.6729000    
 H   -12.37020      0.3227000      0.9493000    
 H   -11.74730      -1.056100      2.4800001E-02
 H  -9.7499996E-02   1.742300      -1.590800    
 H   0.1153000      -2.020500      0.5016000    
 H    2.100700       2.351400     -0.7482000    
 H    2.353600      -1.422200       1.343500    
 H    4.218800       2.718100      0.2355000    
 H    4.232900       1.483400      -1.068700    
 H    6.137200       1.536200       1.301000    
 H    6.527200       2.002400     -0.3781000    
 H    8.350300      -2.656800     -0.4523000    


%chk=000169349-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169349

0 1
S 8.049740 -0.341657 0.778374
O 3.695287 0.256557 0.401907
O 6.609323 0.193379 -0.226612
O 9.284009 0.928530 0.279012
O 7.792919 -0.051989 2.330614
O 8.480509 -1.762300 0.180433
C -5.241653 -0.040135 0.102442
C -6.694237 -0.331398 -0.337816
C -4.181748 -0.710197 -0.800747
C -7.753600 0.323394 0.577269
C -2.731471 -0.385139 -0.379954
C -9.206646 0.050157 0.127523
C -1.670249 -1.079306 -1.278984
C -10.265211 0.695515 1.050979
C -0.243146 -0.729077 -0.885511
C -11.713905 0.423157 0.591251
C 0.472797 0.295611 -1.548209
C 0.401893 -1.394080 0.193425
C 1.783518 0.660963 -1.160355
C 1.705409 -1.050207 0.595589
C 2.398164 -0.018157 -0.081848
C 4.471247 1.275070 -0.299568
C 5.847065 1.334920 0.351235
H -5.099918 -0.382331 1.148938
H -5.075165 1.057426 0.110357
H -6.858064 -1.429264 -0.360149
H -6.839372 0.024873 -1.379344
H -4.338911 -0.388059 -1.851767
H -4.331301 -1.810422 -0.788364
H -7.581167 1.419740 0.610977
H -7.616616 -0.043686 1.616166
H -2.570201 0.711459 -0.412388
H -2.570457 -0.691032 0.673792
H -9.378927 -1.045908 0.085385
H -9.347872 0.425881 -0.907764
H -1.823412 -2.175654 -1.221313
H -1.854793 -0.788209 -2.331909
H -10.089759 1.789926 1.096252
H -10.125964 0.316246 2.084104
H -11.888237 0.822320 -0.425976
H -12.450533 0.892614 1.269112
H -11.923393 -0.663031 0.564290
H 0.002243 0.822419 -2.387624
H -0.123824 -2.199078 0.721677
H 2.299748 1.459433 -1.702379
H 2.206000 -1.567006 1.420192
H 3.987891 2.270954 -0.198622
H 4.564250 1.033221 -1.377787
H 5.759191 1.226482 1.447283
H 6.364543 2.277415 0.094940
H 9.707806 0.610262 -0.571828


