%chk=000100237.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100237

0 1
 S   0.9788000       2.497000      0.5123000    
 O  -0.9087000     -6.7000002E-02  -1.978200    
 O   0.3896000      -2.577400      0.4718000    
 N   0.6123000     -0.2289000      0.4007000    
 N    2.817200      0.6843000      0.2164000    
 C  -0.8109000     -3.4499999E-02  0.4190000    
 C   -1.533800      4.0500000E-02 -0.7715000    
 C   -1.469600      7.8800000E-02   1.643400    
 C    1.533300      0.8339000      0.3311000    
 C    1.073500      -1.556900      0.4163000    
 C   -2.915500      0.2288000     -0.7377000    
 C   -2.851300      0.2670000       1.677100    
 C   -3.574200      0.3422000      0.4866000    
 C    2.541700      -1.698600      0.2933000    
 C    3.285300     -0.5970000      0.1831000    
 C  -0.7820000      -1.376700      -2.527000    
 C    1.614000       3.164600      -1.036800    
 H  -0.9168000      2.1000000E-02   2.577500    
 H   -3.485100      0.2888000      -1.661200    
 H   -3.364200      0.3551000       2.630300    
 H   -4.650000      0.4889000      0.5129000    
 H    2.974000      -2.691200      0.2719000    
 H    4.361200     -0.6916000      7.6899998E-02
 H   -1.010400      -1.324700      -3.595200    
 H   -1.462900      -2.095200      -2.057600    
 H   0.2501000      -1.717700      -2.409700    
 H    1.241800       2.583600      -1.885200    
 H    2.707300       3.156500      -1.044700    
 H    1.276600       4.198300      -1.149700    


%chk=000100237-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100237

0 1
S 0.569631 2.419349 -0.344254
O -0.794627 -0.963335 -1.770765
O 0.604254 -2.509430 0.968545
N 0.715810 -0.221977 0.375725
N 2.804124 0.840808 -0.156088
C -0.730107 -0.136299 0.464345
C -1.512635 -0.542183 -0.652951
C -1.347895 0.299752 1.649935
C 1.480834 0.870625 -0.017564
C 1.327828 -1.531241 0.637900
C -2.924608 -0.489467 -0.564327
C -2.756835 0.357394 1.737092
C -3.535129 -0.038716 0.627739
C 2.774463 -1.521680 0.479940
C 3.438695 -0.369236 0.097882
C -1.553923 -1.455552 -2.924224
C 2.015817 3.505476 -0.867729
H -0.718482 0.584820 2.499139
H -3.548337 -0.797163 -1.408449
H -3.236587 0.697846 2.659605
H -4.628666 -0.003106 0.686587
H 3.303218 -2.458740 0.667423
H 4.526419 -0.356771 -0.027659
H -0.792239 -1.755255 -3.658137
H -2.193133 -0.659222 -3.351893
H -2.173231 -2.329860 -2.648127
H 2.506205 3.066391 -1.746756
H 2.734414 3.586205 -0.041390
H 1.566025 4.482466 -1.105444


