%chk=000175968.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000175968

0 1
 S   -1.616000      0.2805000       1.227700    
 O   -6.832800     -0.2257000       1.957400    
 O   -7.867300     -0.2902000     -6.5499999E-02
 C    3.779300      -1.806200     -6.6999998E-03
 C    5.051700      0.9698000      0.1960000    
 C    5.276700      -1.519900     -0.2563000    
 C    5.775800     -0.3437000      0.5657000    
 C    2.946900     -0.5177000     -2.0400001E-02
 C    3.535300      0.7671000      8.1600003E-02
 C    3.597700      -2.498200       1.362500    
 C    3.333300      -2.792700      -1.112400    
 C    5.415100       1.993900       1.297700    
 C    5.583300       1.500600      -1.154000    
 C    1.539100     -0.6098000     -9.9699996E-02
 C    2.692000       1.900000      3.7999999E-02
 C   0.7291000      0.5239000     -0.1209000    
 C    1.307000       1.781100     -6.0400002E-02
 C  -0.7045000      0.3890000     -0.2092000    
 C   -1.501000      0.3302000      -1.329000    
 C   -2.895400      0.1934000      -1.017500    
 C   -3.103400      0.1527000      0.3648000    
 C   -4.024100      9.9799998E-02  -1.867200    
 C   -4.395000      2.2100000E-02  0.9117000    
 C   -5.487800     -6.7900002E-02  4.7499999E-02
 C   -5.306800     -2.9300001E-02  -1.327800    
 C   -6.828200     -0.2027000      0.5965000    
 H    5.454100      -1.318800      -1.320400    
 H    5.876500      -2.407700     -1.7100001E-02
 H    5.642600     -0.5652000       1.632200    
 H    6.858000     -0.2335000      0.4177000    
 H    2.560800      -2.819500       1.517000    
 H    4.228900      -3.390700       1.441200    
 H    3.851400      -1.833200       2.195300    
 H    4.005000      -3.658200      -1.158900    
 H    2.325800      -3.186900     -0.9430000    
 H    3.338900      -2.311900      -2.097800    
 H    6.501400       2.049300       1.437800    
 H    4.967600       1.716500       2.259400    
 H    5.077700       3.007400       1.056600    
 H    6.674900       1.596600      -1.138800    
 H    5.173800       2.490700      -1.386700    
 H    5.315700      0.8424000      -1.987800    
 H    1.064000      -1.588200     -0.1390000    
 H    3.108900       2.903200      7.4299999E-02
 H   0.6991000       2.682200     -8.6199999E-02
 H   -1.111400      0.3824000      -2.339100    
 H   -3.897800      0.1283000      -2.946800    
 H   -4.504600     -4.6999999E-03   1.991900    
 H   -6.151600     -9.8499998E-02  -2.008500    
 H   -7.740600     -0.3174000       2.317800    


%chk=000175968-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000175968

0 1
S -1.840375 1.652635 0.613105
O -7.301723 1.699711 0.588750
O -8.023509 -0.359138 -0.208290
C 3.873238 -1.709468 -0.499339
C 5.108613 1.016088 0.373554
C 5.339667 -1.273249 -0.777385
C 5.890675 -0.326224 0.299172
C 3.013945 -0.478558 -0.127284
C 3.586918 0.764269 0.293179
C 3.830036 -2.728747 0.680478
C 3.341756 -2.412921 -1.781024
C 5.493715 1.716743 1.708736
C 5.527223 1.940492 -0.812072
C 1.604374 -0.600306 -0.169127
C 2.703729 1.830178 0.615347
C 0.723906 0.463582 0.160617
C 1.308749 1.698301 0.554603
C -0.731989 0.287050 0.088516
C -1.466189 -0.812545 -0.338843
C -2.897398 -0.649259 -0.280868
C -3.287503 0.640100 0.213806
C -3.918733 -1.574416 -0.643787
C -4.630343 1.019215 0.349808
C -5.627831 0.080200 -0.018759
C -5.265044 -1.210460 -0.512491
C -7.069801 0.401962 0.092648
H 5.387385 -0.780377 -1.769008
H 5.971220 -2.180708 -0.846160
H 5.851471 -0.824300 1.288163
H 6.957479 -0.102044 0.103039
H 2.791475 -3.044298 0.888967
H 4.420743 -3.630583 0.430716
H 4.236119 -2.295481 1.611530
H 4.049229 -3.206357 -2.088120
H 2.359965 -2.894857 -1.624848
H 3.243714 -1.697125 -2.617536
H 6.595327 1.784060 1.787849
H 5.120187 1.146587 2.578780
H 5.095755 2.744983 1.776941
H 6.607940 2.170627 -0.752289
H 4.970595 2.894727 -0.785640
H 5.327135 1.466627 -1.789570
H 1.174822 -1.560407 -0.472858
H 3.122224 2.793520 0.926029
H 0.673239 2.554295 0.809943
H -0.998545 -1.731096 -0.700544
H -3.645508 -2.564607 -1.023629
H -4.926543 2.002118 0.724681
H -6.068397 -1.902256 -0.784198
H -8.284036 1.846415 0.635912


