%chk=000131862.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131862

0 1
 S   0.5610000      0.8709000      -2.786700    
 O   -3.425100     -0.6546000       1.338900    
 O    3.553100      1.6100001E-02 -0.1428000    
 O    5.263300      5.7500001E-02   3.002600    
 O    5.643000      -1.177500       1.126900    
 C   -2.017400      -2.737600      1.2000000E-02
 C   -3.043700       2.112900      0.8140000    
 C   -1.794200      -1.291600     -0.2868000    
 C   -2.287800       1.041700      9.8999999E-02
 C   -2.509300     -0.3042000      0.3908000    
 C  -0.8576000     -0.9330000      -1.256300    
 C   -1.351300       1.400200     -0.8706000    
 C  -0.6389000      0.4118000      -1.545600    
 C   -1.731400      -3.168100       1.488200    
 C   -3.496600      -3.148500     -0.2627000    
 C   -1.104500      -3.643000     -0.8705000    
 C   -4.598200       2.058100      0.6511000    
 C   -2.783600       2.057100       2.350600    
 C   -2.622300       3.529200      0.3152000    
 C    2.087200      0.1460000      -2.079000    
 C    2.427900      0.7056000     -0.6840000    
 C    3.228000      0.3689000      -3.072000    
 C    2.697300       2.207200     -0.6613000    
 C    3.805400      0.4106000       1.197100    
 C    4.995800     -0.3360000       1.731900    
 H  -0.2836000      -1.655700      -1.822600    
 H   -1.133700       2.426200      -1.142700    
 H   -2.403500      -2.687400       2.204800    
 H  -0.7069000      -2.899900       1.771600    
 H   -1.843600      -4.250900       1.617300    
 H   -4.208800      -2.703500      0.4375000    
 H   -3.620100      -4.235600     -0.1863000    
 H   -3.798700      -2.855100      -1.275100    
 H  -3.8400002E-02  -3.471900     -0.6792000    
 H   -1.287000      -4.702100     -0.6459000    
 H   -1.313700      -3.526500      -1.940700    
 H   -5.063500       2.940100       1.109600    
 H   -4.855900       2.077800     -0.4154000    
 H   -5.115600       1.198000       1.074400    
 H   -3.185700       1.200600       2.891800    
 H   -3.211000       2.942500       2.838800    
 H   -1.704500       2.078000       2.549600    
 H   -2.849800       3.681300     -0.7467000    
 H   -1.561300       3.735900      0.5007000    
 H   -3.175200       4.306700      0.8586000    
 H    1.953800     -0.9391000      -1.995400    
 H    1.580500      0.4991000     -1.8700000E-02
 H   -3.935400      6.6699997E-02   1.705000    
 H    3.011800     -0.1112000      -4.033500    
 H    3.414800       1.431600      -3.261700    
 H    4.160400     -7.0100002E-02  -2.700500    
 H    1.995300       2.773300      -1.279100    
 H    3.714100       2.438000     -0.9978000    
 H    2.588800       2.616600      0.3489000    
 H    2.938800      0.1820000       1.826300    
 H    4.072300       1.468900       1.259200    
 H    6.037600     -0.4147000       3.376700    


%chk=000131862-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131862

0 1
S 0.589727 0.869390 -2.770343
O -3.520458 -0.826645 1.351230
O 3.694595 0.313849 -0.113142
O 5.220526 0.196502 3.190280
O 5.271689 -1.369730 1.465795
C -2.161887 -2.922994 -0.072016
C -3.082577 2.119322 0.975851
C -1.875356 -1.416748 -0.308268
C -2.315384 1.009552 0.198756
C -2.562448 -0.385327 0.408190
C -0.919592 -1.000593 -1.264295
C -1.325400 1.352067 -0.756428
C -0.633322 0.363349 -1.482315
C -1.844908 -3.298551 1.408716
C -3.653615 -3.243212 -0.396696
C -1.283487 -3.827358 -0.978929
C -4.616089 2.049726 0.672185
C -2.807613 2.017994 2.512897
C -2.624908 3.541816 0.549232
C 2.217553 0.222591 -1.983375
C 2.610774 1.096417 -0.771492
C 3.285065 0.138642 -3.083595
C 3.068298 2.523537 -1.117086
C 3.994564 0.760123 1.229927
C 4.880234 -0.276554 1.906706
H -0.392343 -1.748156 -1.861329
H -1.086672 2.399908 -0.949340
H -2.464226 -2.718181 2.109681
H -0.779262 -3.111437 1.638364
H -2.045459 -4.374707 1.570166
H -4.335844 -2.662957 0.243281
H -3.846971 -4.320168 -0.231220
H -3.879666 -3.013227 -1.454648
H -0.203609 -3.685496 -0.787217
H -1.522148 -4.885103 -0.765574
H -1.477806 -3.653209 -2.053561
H -5.142349 2.859897 1.210079
H -4.792466 2.180604 -0.410360
H -5.101421 1.097484 0.957494
H -3.103462 1.056564 2.973001
H -3.352474 2.819212 3.045746
H -1.728147 2.142221 2.712722
H -2.808796 3.727501 -0.524091
H -1.552331 3.708425 0.755352
H -3.196035 4.294778 1.122595
H 1.984885 -0.786013 -1.601272
H 1.741048 1.134661 -0.077233
H -3.954225 -0.056239 1.788624
H 2.997617 -0.603943 -3.847235
H 3.433483 1.108945 -3.590808
H 4.244362 -0.170367 -2.631685
H 2.299738 3.018342 -1.737557
H 4.018961 2.504230 -1.677372
H 3.213540 3.133287 -0.207033
H 3.073747 0.879108 1.844551
H 4.529878 1.733189 1.248471
H 5.794874 -0.477019 3.645125


