%chk=000113895.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113895

0 1
 S    3.479100       2.693100      0.8281000    
 S    6.414600       2.097500      0.5504000    
 O   -1.830900       2.225800      0.4044000    
 O    2.280200     -0.4061000      -1.047800    
 O    4.907000      -1.407500       1.192500    
 O    6.238000      -2.487300     -0.2942000    
 N   -2.344600      0.3045000     -0.7530000    
 N    4.311100      0.5848000     -0.3995000    
 C   -3.526900      0.9409000     -0.4058000    
 C   -2.311800     -0.9357000      -1.487000    
 C   -1.310600       1.087400     -0.2586000    
 C   -3.205600       2.110300      0.2986000    
 C   -2.366700      -2.106900     -0.5458000    
 C   -4.847700      0.6162000     -0.6343000    
 C   1.2900000E-02  0.9060000     -0.3293000    
 C   -4.150800       2.981100      0.7916000    
 C   -5.832200       1.483700     -0.1445000    
 C   -5.487000       2.653500      0.5608000    
 C   -1.185400      -2.646000     -5.2800000E-02
 C   -3.598100      -2.635300     -0.1800000    
 C   0.9704000       1.821900      0.2423000    
 C    2.294100       1.641000      0.1718000    
 C    2.923100      0.4802000     -0.5008000    
 C   -1.236300      -3.732400      0.8206000    
 C   -3.648800      -3.721600      0.6936000    
 C    5.194300     -0.4272000     -0.9731000    
 C    4.817800       1.692500      0.2701000    
 C   -2.467800      -4.270100       1.193800    
 C    5.508700      -1.544400     -1.1900000E-02
 H   -1.400900     -0.9984000      -2.096900    
 H   -3.127500     -0.9962000      -2.219300    
 H   -5.145900     -0.2559000      -1.201400    
 H   0.3024000      2.0800000E-02 -0.8644000    
 H   -3.876500       3.878400       1.332400    
 H   -6.881100       1.256200     -0.3174000    
 H   -6.273600       3.308000      0.9270000    
 H  -0.2184000      -2.245200     -0.3398000    
 H   -4.528700      -2.247100     -0.5761000    
 H   0.5865000       2.701000      0.7546000    
 H  -0.3167000      -4.160900       1.208300    
 H   -4.607400      -4.144800      0.9792000    
 H    6.131200      1.8500000E-02  -1.315500    
 H    4.683900     -0.8771000      -1.831900    
 H   -2.507400      -5.117200       1.872400    
 H    5.126500      -2.146600       1.798900    


%chk=000113895-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000113895

0 1
S 3.479164 2.573067 0.878045
S 6.448087 1.682044 0.625263
O -2.068481 2.349704 0.410419
O 2.214832 -0.665516 -1.036831
O 4.898900 -1.622527 1.429436
O 6.568599 -2.456608 0.041543
N -2.602469 0.464031 -0.758644
N 4.225753 0.350107 -0.312607
C -3.820044 1.106484 -0.443213
C -2.445107 -0.806460 -1.504402
C -1.538973 1.206264 -0.238919
C -3.483510 2.279700 0.276670
C -2.200410 -2.022162 -0.613000
C -5.164546 0.797521 -0.716071
C -0.184573 0.932276 -0.318176
C -4.428089 3.186820 0.753217
C -6.142880 1.709128 -0.242754
C -5.787365 2.877277 0.476715
C -0.926466 -2.641535 -0.575118
C -3.249448 -2.545001 0.186289
C 0.829762 1.769691 0.228785
C 2.188734 1.480734 0.166764
C 2.793860 0.302783 -0.444701
C -0.705952 -3.767666 0.250563
C -3.028658 -3.668138 1.011977
C 5.033486 -0.750834 -0.833944
C 4.802660 1.433287 0.344353
C -1.754692 -4.283287 1.044787
C 5.609344 -1.682078 0.232025
H -1.611328 -0.678070 -2.217863
H -3.367234 -0.935346 -2.098262
H -5.455374 -0.101117 -1.268086
H 0.130385 0.009968 -0.808565
H -4.135686 4.082634 1.306299
H -7.199910 1.501114 -0.437474
H -6.571118 3.555163 0.828274
H -0.098357 -2.247294 -1.176896
H -4.239285 -2.072028 0.168141
H 0.513443 2.693727 0.730220
H 0.284685 -4.233631 0.276206
H -3.845023 -4.064603 1.625708
H 5.880789 -0.363231 -1.422239
H 4.367769 -1.346199 -1.488025
H -1.582182 -5.155452 1.684967
H 5.313406 -2.241343 2.089428


