%chk=000162715.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162715

0 1
 S   -3.252700      0.2637000      -1.667200    
 O   -3.126000      -2.496300      7.3200002E-02
 O    3.936300      0.2437000       2.226200    
 O    4.534300      -2.948200     -0.3994000    
 O    2.696500       2.686700       1.833200    
 O   -1.538000      -1.551200       1.460800    
 O   0.4961000      -3.955000      -1.363700    
 O   -3.130000       2.479200       1.581200    
 N   0.1974000      -1.754600     -0.6797000    
 N    2.812800      -1.531400     -8.0200002E-02
 N   -2.533100       2.940600     -0.5987000    
 C    4.630100      0.5706000       1.023900    
 C    3.740200       1.389400      6.8899997E-02
 C    5.165900     -0.7388000      0.4122000    
 C   -1.225400      -1.599100     -0.9524000    
 C    3.366500       2.793000      0.5818000    
 C   -4.187100      -2.362400       1.042800    
 C   -5.081800      -1.195600      0.5907000    
 C   -1.490800     -0.1636000      -1.427200    
 C    4.112800      -1.705800     -5.2999998E-03
 C   -1.930200      -1.899900      0.3554000    
 C   -4.420700      0.1475000      0.7945000    
 C   -4.961900      -3.674100       1.035500    
 C   -3.658900      0.8382000     -7.6600000E-02
 C    2.505600       3.489900     -0.4473000    
 C    2.336200      -2.710700     -0.5978000    
 C   0.9365000      -2.901100     -0.9175000    
 C    3.384100      -3.583700     -0.7721000    
 C   -3.091400       2.154000      0.3951000    
 C    1.181300       3.699700     -0.3567000    
 C   -1.895400       4.214400     -0.3195000    
 C   0.4091000       4.328600      -1.406400    
 C  -0.9183000       4.532300      -1.407800    
 H    5.489900       1.189800       1.307500    
 H    4.243700       1.480500     -0.9019000    
 H    2.798200      0.8540000     -9.2000000E-02
 H    5.789300     -0.5029000     -0.4583000    
 H    5.807700      -1.239400       1.148000    
 H   -1.513300      -2.335700      -1.711000    
 H    4.269400       3.393400      0.7416000    
 H   -3.789500      -2.190400       2.050300    
 H   -5.370500      -1.322100     -0.4595000    
 H   -6.014900      -1.196000       1.167900    
 H   -1.031500      0.5577000     -0.7410000    
 H  -0.9933000     -1.5500000E-02  -2.393000    
 H   0.6674000     -0.9617000     -0.2503000    
 H   -4.604700      0.5636000       1.784200    
 H   -5.350500      -3.897300      3.5599999E-02
 H   -4.303500      -4.505500       1.309600    
 H   -5.798700      -3.645400       1.739800    
 H    3.032000       3.814700      -1.343800    
 H    4.563600     -0.2080000       2.816100    
 H    3.492500      -4.593100      -1.140000    
 H    3.334100       2.344900       2.482500    
 H   0.6468000       3.357700      0.5235000    
 H   -2.595700       2.630500      -1.564700    
 H   -1.434200       4.188700      0.6723000    
 H   -2.679800       4.978200     -0.2899000    
 H   0.9622000       4.641400      -2.290300    
 H   -1.345000       5.002100      -2.293000    


%chk=000162715-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162715

0 1
S -3.294624 0.009099 -1.765142
O -3.279795 -2.517347 0.310717
O 3.745570 0.385612 2.431026
O 4.717628 -2.370299 -1.131992
O 2.493633 2.698131 1.880236
O -1.580180 -1.622520 1.660358
O 0.640222 -3.270361 -2.469177
O -3.281800 2.666642 1.368143
N 0.181943 -2.037363 -0.524837
N 2.870742 -1.638890 -0.009450
N -2.403620 2.782244 -0.779120
C 4.645024 0.578644 1.269215
C 3.837806 1.386213 0.236186
C 5.177756 -0.781104 0.733455
C -1.254057 -1.903917 -0.769898
C 3.383970 2.795171 0.726565
C -4.372099 -2.272969 1.315331
C -5.229760 -1.131424 0.699344
C -1.490370 -0.507957 -1.441063
C 4.189327 -1.579405 -0.060171
C -2.017981 -1.999046 0.549758
C -4.540280 0.208847 0.778707
C -5.133942 -3.589041 1.473847
C -3.697373 0.786337 -0.123039
C 2.653405 3.497828 -0.400629
C 2.465724 -2.472912 -1.087493
C 1.028253 -2.653503 -1.427062
C 3.585106 -2.923718 -1.759412
C -3.114843 2.147736 0.216349
C 1.301934 3.694648 -0.406594
C -1.780692 4.105307 -0.538421
C 0.577710 4.284559 -1.531216
C -0.778914 4.459523 -1.619021
H 5.531119 1.165164 1.600262
H 4.451725 1.496215 -0.679346
H 2.932601 0.814028 -0.029405
H 6.051431 -0.592608 0.081699
H 5.557091 -1.380645 1.586727
H -1.578279 -2.702714 -1.455933
H 4.292326 3.384902 1.001554
H -3.895505 -1.959029 2.262267
H -5.445701 -1.414121 -0.346288
H -6.187313 -1.086232 1.252018
H -1.029125 0.284331 -0.827139
H -1.015819 -0.521012 -2.436348
H 0.586630 -1.577948 0.300944
H -4.697557 0.803460 1.692162
H -5.568127 -3.909710 0.510793
H -4.461858 -4.385256 1.835912
H -5.953044 -3.465899 2.205117
H 3.269233 3.810617 -1.258174
H 4.211716 -0.078979 3.168944
H 3.748832 -3.561231 -2.620293
H 2.734766 1.864046 2.379024
H 0.751891 3.372222 0.485405
H -2.362649 2.354669 -1.710228
H -1.321893 4.078219 0.464905
H -2.576525 4.876013 -0.491279
H 1.190022 4.601806 -2.390015
H -1.189712 4.899126 -2.538685


