%chk=000152305.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152305

0 1
 S    5.655900      0.4881000     -0.3074000    
 O    4.119100      0.7514000      0.1951000    
 O   -6.732700      0.2517000      -1.060900    
 O    5.843600      -1.122700     -0.1309000    
 O    5.713100      0.7818000      -1.727300    
 O    6.566700       1.146800      0.6104000    
 C  -0.5502000     -0.8979000      0.3004000    
 C   -1.275800      0.4003000     -0.1818000    
 C   0.8870000     -0.8805000     -0.2307000    
 C    1.689400      0.3381000      0.2650000    
 C   -2.781100      0.4399000      0.2808000    
 C   -3.469000     -0.8645000     -0.2395000    
 C  -0.4660000       1.680600      0.1583000    
 C    1.010800       1.604900     -0.2711000    
 C   -1.300900      -2.155400     -0.1575000    
 C    3.053300      1.7400000E-02 -0.3760000    
 C    1.807100      -2.060300      7.2999999E-02
 C   -2.769700      -2.135600      0.2553000    
 C    3.221900      -1.498900     -0.1569000    
 C   -3.518500       1.641500     -0.3774000    
 C    1.828500      0.4385000       1.805500    
 C   -2.882900      0.5777000       1.820400    
 C   -4.969300     -0.9160000      6.2199999E-02
 C   -5.026400       1.652500     -0.1366000    
 C   -5.653900      0.3206000     -0.4724000    
 H  -0.5213000     -0.9189000       1.394700    
 H   -1.292200      0.3531000      -1.282500    
 H   0.8169000     -0.8267000      -1.330400    
 H   -3.376600     -0.8608000      -1.337300    
 H  -0.5140000       1.889700       1.231100    
 H  -0.9107000       2.546800     -0.3440000    
 H    1.055000       1.620000      -1.367900    
 H    1.540800       2.502100      7.0500001E-02
 H  -0.8283000      -3.050800      0.2629000    
 H   -1.237000      -2.249200      -1.249300    
 H    3.019900      0.2273000      -1.453400    
 H    1.607000      -2.913700     -0.5829000    
 H    1.691100      -2.403800       1.107200    
 H   -3.264100      -3.019700     -0.1657000    
 H   -2.852200      -2.224700       1.344700    
 H    3.807800      -1.738900      0.7347000    
 H    3.682400      -1.975900      -1.028300    
 H   -3.341300       1.620100      -1.461200    
 H   -3.111600       2.591900     -1.3600000E-02
 H    2.400400       1.331700       2.083000    
 H   0.8636000      0.5101000       2.314200    
 H    2.350000     -0.4222000       2.235700    
 H   -2.491700       1.542700       2.158900    
 H   -3.915600      0.5239000       2.176400    
 H   -2.330700     -0.2025000       2.349800    
 H   -5.176900     -0.9978000       1.133400    
 H   -5.414700      -1.790400     -0.4272000    
 H   -5.486600       2.425200     -0.7625000    
 H   -5.262500       1.889100      0.9057000    
 H    5.905600      -1.439500      0.8010000    


%chk=000152305-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000152305

0 1
S 5.696563 0.704042 -0.620671
O 4.104253 0.668058 0.308052
O -6.749403 0.453571 -1.291215
O 6.575672 -0.754842 0.085624
O 5.454234 0.325245 -2.158759
O 6.454106 2.033525 -0.141043
C -0.614033 -0.967300 0.341222
C -1.291893 0.365127 -0.129226
C 0.843409 -0.986907 -0.165687
C 1.681864 0.229814 0.351932
C -2.809565 0.450034 0.298905
C -3.529226 -0.821862 -0.280702
C -0.454825 1.614529 0.273387
C 1.031856 1.529638 -0.168060
C -1.397642 -2.203630 -0.164255
C 3.042024 -0.155906 -0.315148
C 1.740508 -2.222509 0.117900
C -2.893465 -2.140470 0.211437
C 3.200555 -1.688591 -0.086931
C -3.471652 1.696196 -0.368425
C 1.841530 0.263724 1.894941
C -2.953741 0.551433 1.842843
C -5.065468 -0.809248 -0.048259
C -5.012577 1.767158 -0.180651
C -5.713041 0.468891 -0.573595
H -0.602388 -0.998777 1.450675
H -1.292118 0.326936 -1.245390
H 0.786469 -0.874866 -1.273971
H -3.371310 -0.782246 -1.382999
H -0.501458 1.763211 1.369107
H -0.896693 2.520302 -0.181506
H 1.084097 1.545522 -1.276959
H 1.582336 2.418197 0.195278
H -0.942135 -3.127636 0.241088
H -1.303957 -2.260223 -1.270073
H 3.002094 0.085546 -1.395745
H 1.509543 -3.063562 -0.557992
H 1.592792 -2.585381 1.152456
H -3.430925 -2.999063 -0.238000
H -3.016208 -2.234484 1.309656
H 3.828330 -1.867005 0.803687
H 3.707081 -2.165442 -0.943202
H -3.243907 1.681066 -1.454369
H -3.032970 2.627153 0.036754
H 2.491241 1.107797 2.183788
H 0.870716 0.392308 2.401302
H 2.303190 -0.659647 2.285067
H -2.554363 1.514087 2.209912
H -4.008980 0.496923 2.163567
H -2.414581 -0.255216 2.368650
H -5.279437 -0.893410 1.037934
H -5.542886 -1.675116 -0.541410
H -5.448225 2.595993 -0.765535
H -5.241646 1.963948 0.887237
H 7.068758 -0.428434 0.895076


