%chk=000174397.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000174397

0 1
 S   -9.930500      -1.580200     -0.2442000    
 O   -4.991900     -0.3103000     -6.7699999E-02
 O   -6.464900       1.357800      0.5418000    
 C    3.730600      0.9728000     -6.6699997E-02
 C    5.021100      0.2442000     -0.4499000    
 C    2.466400      0.1560000     -0.3527000    
 C    6.287600       1.028500     -9.1700003E-02
 C    1.173700      0.8932000      8.1000002E-03
 C    7.611800      0.3883000     -0.5264000    
 C    7.942700     -0.9702000      0.1195000    
 C  -5.4400001E-02  2.2700001E-02 -0.2711000    
 C   -1.379500      0.7149000      6.1099999E-02
 C   -2.601400     -0.1784000     -0.1466000    
 C    8.041000     -0.8819000       1.642900    
 C    9.257300      -1.507800     -0.4529000    
 C   -3.895400      0.5652000      0.1573000    
 C   -6.235900      0.2168000      0.1643000    
 C   -7.284500     -0.8355000     -0.1203000    
 C   -8.693700     -0.2960000      9.5200002E-02
 H    3.678500       1.923000     -0.6121000    
 H    3.760100       1.221500       1.001300    
 H    5.040500     -0.7268000      5.8300000E-02
 H    5.014100      3.9900001E-02  -1.527400    
 H    2.515500     -0.7854000      0.2087000    
 H    2.445300     -0.1103000      -1.416800    
 H    6.225500       2.014100     -0.5716000    
 H    6.304100       1.224300      0.9866000    
 H    1.192700       1.172000       1.068300    
 H    1.106300       1.822000     -0.5708000    
 H    7.595800      0.2708000      -1.617600    
 H    8.420900       1.097000     -0.3062000    
 H    7.155100      -1.689600     -0.1340000    
 H   2.1199999E-02 -0.9026000      0.3136000    
 H  -6.0400002E-02 -0.2708000      -1.328200    
 H   -1.475500       1.614400     -0.5598000    
 H   -1.355500       1.052400       1.104800    
 H   -2.628000     -0.5478000      -1.179200    
 H   -2.532500      -1.069400      0.4896000    
 H    8.771900     -0.1266000       1.950900    
 H    8.349300      -1.843100       2.068300    
 H    7.075500     -0.6262000       2.089600    
 H    10.09390     -0.8383000     -0.2254000    
 H    9.489200      -2.493600     -3.5900000E-02
 H    9.193400      -1.613900      -1.541000    
 H   -3.900900      0.8963000       1.202500    
 H   -3.988000       1.440100     -0.4969000    
 H   -7.095800      -1.683200      0.5490000    
 H   -7.158900      -1.160200      -1.159900    
 H   -8.823300      4.8099998E-02   1.126800    
 H   -8.886500      0.5574000     -0.5636000    
 H   -11.00800     -0.8278000      2.2900000E-02


%chk=000174397-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000174397

0 1
S -9.999061 -1.733025 -0.367005
O -5.057036 -0.248842 -0.137301
O -6.545640 1.286657 0.792164
C 3.783513 0.988000 -0.116117
C 5.085939 0.223069 -0.443738
C 2.506113 0.166422 -0.400965
C 6.362785 1.047150 -0.158155
C 1.201194 0.908720 -0.033885
C 7.681569 0.338589 -0.557334
C 7.981508 -1.001440 0.169595
C -0.069770 0.081548 -0.330111
C -1.377330 0.800249 0.072497
C -2.635925 -0.044859 -0.235353
C 8.067827 -0.825320 1.704510
C 9.289259 -1.622062 -0.378196
C -3.918053 0.662144 0.201733
C -6.329394 0.192686 0.219953
C -7.378417 -0.833496 -0.184254
C -8.793290 -0.376131 0.195770
H 3.753687 1.930587 -0.702085
H 3.795851 1.288104 0.953027
H 5.104936 -0.717794 0.143214
H 5.077805 -0.077617 -1.512905
H 2.552481 -0.788545 0.163587
H 2.481322 -0.110197 -1.475951
H 6.297375 2.006579 -0.712407
H 6.390414 1.318471 0.916854
H 1.223422 1.174870 1.043792
H 1.154880 1.868236 -0.590240
H 7.666243 0.148803 -1.651535
H 8.531817 1.029474 -0.372915
H 7.155086 -1.709669 -0.049230
H -0.007999 -0.888498 0.205935
H -0.103978 -0.163182 -1.412228
H -1.440099 1.772628 -0.458795
H -1.343577 1.037666 1.156306
H -2.689586 -0.259187 -1.320082
H -2.567632 -1.021353 0.281942
H 8.852915 -0.089640 1.967896
H 8.323120 -1.782269 2.197227
H 7.113685 -0.470453 2.134824
H 10.151881 -0.956873 -0.177194
H 9.499778 -2.599081 0.095851
H 9.232338 -1.778772 -1.472067
H -3.940205 0.858854 1.289744
H -4.071884 1.622281 -0.325246
H -7.130486 -1.797807 0.298469
H -7.297850 -1.006304 -1.274300
H -8.883534 -0.239844 1.284171
H -9.049047 0.568153 -0.308392
H -11.153349 -1.099879 0.063722


