%chk=000065894.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065894

0 1
 S   0.2896000      -1.690900      0.1929000    
 O    2.887000      -1.330900      -1.096700    
 O   -4.011100      -2.426800      0.4034000    
 O   -2.438400       1.698700     -0.9422000    
 O  -3.9299998E-02   3.062100      0.9028000    
 O    1.550600       2.696500     -0.7000000    
 N  -0.9783000      0.5830000      0.5432000    
 C   -1.218900     -0.8463000      0.7952000    
 C   -2.404400     -0.7445000     -0.1806000    
 C   -2.045900      0.7574000     -0.2904000    
 C    1.144600     -0.1583000      5.6499999E-02
 C   -3.813700      -1.017700      0.2944000    
 C   0.3226000      0.8898000      0.2373000    
 C    2.592000     -0.1749000     -0.2926000    
 C    3.507700     -0.2514000      0.9198000    
 C    4.717500     -0.9489000      0.3499000    
 C    4.081800      -1.946000     -0.5932000    
 C   -4.841200     -0.4432000     -0.6728000    
 C   0.6979000       2.292300      7.3200002E-02
 H   -1.473500      -1.043800       1.841700    
 H   -2.225600      -1.251800      -1.141400    
 H   -3.986500     -0.5846000       1.286600    
 H    2.866800      0.6861000     -0.9095000    
 H    3.073400     -0.8649000       1.719000    
 H    3.736800      0.7330000       1.338800    
 H    5.326600     -0.2333000     -0.2149000    
 H    5.351400      -1.419300       1.105800    
 H    4.737100      -2.214700      -1.426200    
 H    3.791000      -2.861400     -6.6799998E-02
 H   -5.851200     -0.7497000     -0.3793000    
 H   -4.812400      0.6491000     -0.7043000    
 H   -4.679100     -0.8229000      -1.687800    
 H   -3.375000      -2.760400       1.058800    
 H   0.1859000       4.013300      0.8199000    


%chk=000065894-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000065894

0 1
S 0.316137 -1.714462 -0.299155
O 3.031454 -1.349288 -1.162613
O -4.068042 -2.449968 0.540913
O -2.558937 1.764681 -1.170415
O -0.159594 3.201900 0.703766
O 2.070901 2.715811 0.227800
N -0.984625 0.590501 0.307566
C -1.243833 -0.861302 0.471581
C -2.554006 -0.716413 -0.368543
C -2.126836 0.781520 -0.555056
C 1.202574 -0.122409 -0.143920
C -3.893860 -0.994443 0.343470
C 0.396646 0.955667 0.181557
C 2.687987 -0.132591 -0.379371
C 3.545135 -0.197799 0.918071
C 4.801858 -0.963006 0.435394
C 4.203473 -2.012910 -0.521785
C -5.087430 -0.533633 -0.496200
C 0.876206 2.327850 0.360168
H -1.332446 -1.207758 1.514306
H -2.521301 -1.266726 -1.324137
H -3.894324 -0.473612 1.326674
H 2.970385 0.761677 -0.966089
H 3.013939 -0.774157 1.697186
H 3.756887 0.812383 1.299938
H 5.479782 -0.282081 -0.109573
H 5.361509 -1.422254 1.267889
H 4.885205 -2.322038 -1.331469
H 3.848625 -2.909070 0.024361
H -6.026901 -0.709321 0.053671
H -5.002713 0.539520 -0.739022
H -5.127523 -1.106209 -1.439499
H -3.408892 -2.779398 1.204310
H 0.208363 4.124040 0.768726


