%chk=000133365.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133365

0 1
 S    2.802800       3.996700     -0.3159000    
 O    1.323400     -1.9900000E-02 -0.4044000    
 O    3.327900      -3.516100      0.3695000    
 O  -0.6473000      -1.166500     -0.8779000    
 O    4.434500      -1.013000       1.272600    
 O    2.300400       2.495000      0.1002000    
 O  -0.6472000      -4.050900      -1.588200    
 O    1.551000       4.950400      0.1142000    
 O    3.925700       4.338300      0.5373000    
 O    2.937800       4.061700      -1.759300    
 O   -4.964400       3.136700      0.6147000    
 O   -6.184600       1.315000      0.7238000    
 N   0.4032000      -3.507700      0.4167000    
 N   -5.089700       1.892000      0.5166000    
 C    1.230900      -2.428400     -8.0899999E-02
 C    2.546400      -2.366700      0.7012000    
 C    3.346600      -1.108600      0.3569000    
 C    2.460500      0.1366000      0.4463000    
 C   0.4774000      -1.096100     -2.4000001E-03
 C    3.190300       1.398400     -3.0000000E-03
 C  -0.4654000      -4.225100     -0.3861000    
 C   -1.738200     -0.4155000     -0.5351000    
 C   -1.183600      -5.305300      0.3774000    
 C   -1.617900      0.9663000     -0.4240000    
 C   -2.959900      -1.039000     -0.3013000    
 C   -2.730600       1.732200     -7.5700000E-02
 C   -4.072400     -0.2732000      4.6900000E-02
 C   -3.957700       1.112500      0.1597000    
 H    1.450600      -2.648400      -1.134700    
 H    2.364700      -2.411600       1.782200    
 H    3.766300      -1.213500     -0.6517000    
 H    2.111100      0.2956000       1.475600    
 H   0.1349000     -0.9239000       1.029100    
 H    3.506400       1.306600      -1.048200    
 H    4.068300       1.589600      0.6216000    
 H   0.4258000      -3.706200       1.413000    
 H    3.507900      -3.493800     -0.5859000    
 H    5.047700     -0.3384000      0.9359000    
 H   -1.912600      -5.795400     -0.2738000    
 H   -1.710400      -4.871200       1.232000    
 H  -0.4631000      -6.048100      0.7308000    
 H  -0.6788000       1.473200     -0.6208000    
 H   -3.053400      -2.117900     -0.3876000    
 H   -2.604800       2.809300     -7.9999998E-04
 H   -5.012200     -0.7901000      0.2235000    
 H   0.6623000       4.633600     -0.1721000    


%chk=000133365-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133365

0 1
S 1.937990 3.613509 -0.952870
O 1.378268 0.254182 -0.319436
O 3.419960 -3.388179 0.001304
O -0.702481 -0.792665 -0.698745
O 4.607773 -1.067224 0.943744
O 2.815210 2.738163 0.476612
O 1.583912 -5.120811 0.510818
O 0.422819 2.659215 -0.998738
O 1.582513 5.069909 -0.421924
O 2.800335 3.351920 -2.287257
O -4.961298 3.251294 1.869701
O -6.213473 2.244764 0.248108
N 0.220191 -3.292219 -0.053108
N -5.108297 2.419594 0.893617
C 1.204716 -2.219902 -0.346584
C 2.554827 -2.305669 0.421680
C 3.399361 -1.044177 0.131573
C 2.657446 0.259999 0.463777
C 0.523789 -0.885224 0.048795
C 3.476962 1.487468 0.065056
C 0.433418 -4.610001 0.296049
C -1.744880 0.060979 -0.247123
C -0.817564 -5.466670 0.425764
C -1.599420 1.007938 0.793517
C -2.969946 -0.100056 -0.934646
C -2.712219 1.785130 1.167110
C -4.078378 0.678037 -0.565522
C -3.936915 1.606364 0.491305
H 1.419752 -2.188949 -1.434152
H 2.341012 -2.359907 1.514615
H 3.649856 -1.060713 -0.951808
H 2.411151 0.304888 1.544623
H 0.324892 -0.851275 1.143919
H 3.693460 1.496759 -1.022867
H 4.436719 1.455067 0.609312
H -0.741163 -3.027534 -0.290162
H 2.918232 -4.253106 0.206714
H 4.989104 -1.981219 0.844651
H -0.766774 -6.287343 -0.310305
H -1.757171 -4.908995 0.277187
H -0.830009 -5.930217 1.426438
H -0.641063 1.176662 1.290566
H -3.032699 -0.825661 -1.750398
H -2.639404 2.534797 1.958902
H -5.041483 0.581797 -1.072637
H 0.701573 1.678484 -0.839276


