%chk=000075762.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075762

0 1
 S  -0.1967000      -3.055000      -1.727200    
 O  -0.1266000      -1.418000      -1.643200    
 O   0.8932000      -3.536800      -2.548200    
 O   -1.571900      -3.465500      -1.913900    
 O   -4.862900       1.805100      0.6988000    
 O    4.572300       2.597800     -0.3545000    
 O   -2.055000       3.494900      -1.728500    
 O    1.381800       3.415500       2.050400    
 O   -4.301300       3.168000      -1.613000    
 O    3.654300       3.429900       2.091200    
 C   6.0800001E-02 -0.8739000     -0.2923000    
 C   0.3452000      -2.099000      0.5805000    
 C   -1.268100     -0.1503000     -2.5500000E-02
 C    1.278600      6.3800000E-02 -0.3083000    
 C   0.2194000      -3.323700     -7.1800001E-02
 C   0.7194000      -2.112000       1.921100    
 C   -2.132600     -0.6190000      0.9649000    
 C    2.269400     -9.3900003E-02  -1.278600    
 C   -1.612500      0.9769000     -0.7728000    
 C    1.395400       1.074500      0.6470000    
 C   0.4405000      -4.551100      0.5187000    
 C   -3.338800      3.7999999E-02   1.207600    
 C    3.374500      0.7572000      -1.293600    
 C   0.9469000      -3.338400       2.558500    
 C   -2.818700       1.634100     -0.5301000    
 C    2.500300       1.925700      0.6320000    
 C   0.8078000      -4.548800       1.861300    
 C   -3.682000       1.164600      0.4599000    
 C    3.490000       1.767100     -0.3382000    
 C   -4.249600     -0.4797000       2.271600    
 C    4.423300      0.5716000      -2.340100    
 C   -3.157000       2.807700      -1.323400    
 C    2.600800       2.972500       1.639700    
 H   0.8300000      -1.190800       2.483900    
 H   -1.907400      -1.500500       1.554600    
 H    2.200900     -0.8823000      -2.022600    
 H  -0.9438000       1.320400      -1.558400    
 H   0.6356000       1.177400       1.417500    
 H   0.3392000      -5.478900     -3.1599998E-02
 H    1.235600      -3.353700       3.606200    
 H   0.9921000      -5.488700       2.374100    
 H   -4.415200      0.2867000       3.036100    
 H   -5.212900     -0.7695000       1.838900    
 H   -3.836500      -1.360600       2.774600    
 H    4.516500       1.476500      -2.949700    
 H    5.389500      0.3507000      -1.874800    
 H    4.186800     -0.2570000      -3.016300    
 H   -4.940700       2.603200      0.1528000    
 H    4.490100       3.287300      0.3228000    
 H   -2.291900       4.283600      -2.261600    
 H    1.458700       4.120100       2.728400    


%chk=000075762-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000075762

0 1
S 0.191515 -3.255394 -1.757849
O -0.346143 -1.420368 -1.661333
O 1.582140 -3.397843 -2.580343
O -1.063281 -4.167842 -2.202571
O -5.097734 1.728200 0.762499
O 4.744056 2.356272 -0.633744
O -2.108271 3.775889 -1.447533
O 1.845713 3.188028 2.364364
O -4.242979 3.782331 -0.555163
O 3.883050 3.717333 1.403230
C -0.057261 -0.825441 -0.313439
C 0.283244 -1.989191 0.645985
C -1.355392 -0.097338 0.046063
C 1.187974 0.084291 -0.412448
C 0.471790 -3.260327 0.095057
C 0.477718 -1.852788 2.040803
C -2.399114 -0.760370 0.756685
C 2.187798 -0.174512 -1.393833
C -1.599336 1.190216 -0.460900
C 1.397095 1.117268 0.513701
C 0.832469 -4.408168 0.816589
C -3.646965 -0.165516 1.006476
C 3.374174 0.576410 -1.479701
C 0.833878 -2.980938 2.810649
C -2.843966 1.830348 -0.231014
C 2.584128 1.897665 0.465612
C 1.012928 -4.252633 2.209396
C -3.872160 1.153298 0.509439
C 3.576936 1.627622 -0.536466
C -4.748771 -0.871348 1.763568
C 4.426264 0.304860 -2.530656
C -3.133188 3.174071 -0.737256
C 2.836362 2.983698 1.411677
H 0.346971 -0.875509 2.516893
H -2.236050 -1.780523 1.121890
H 2.027878 -0.977598 -2.120834
H -0.841646 1.717540 -1.045981
H 0.654223 1.357324 1.279484
H 0.965431 -5.377308 0.326808
H 0.976612 -2.869634 3.890502
H 1.292156 -5.116537 2.820674
H -5.058343 -0.288090 2.649867
H -5.651889 -0.977703 1.135430
H -4.428332 -1.874218 2.091419
H 4.577432 1.189596 -3.176044
H 5.405692 0.094711 -2.063788
H 4.142959 -0.551947 -3.163434
H -5.112376 2.656620 0.334650
H 4.744598 3.066256 0.098294
H -2.403716 4.674142 -1.756634
H 2.110528 3.948794 2.948160


