%chk=000036921.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036921

0 1
 S    1.062800     -0.6982000       1.050100    
 S   -2.660100      -3.337100     -0.8893000    
 O    2.032500       2.127100      -2.159600    
 O    5.567200     -0.6606000      2.4000001E-03
 O    4.442700      0.4102000       1.671200    
 O   -1.723000       1.564700       1.536900    
 O   -4.330300       2.497200     -0.1104000    
 O   -5.157100      0.4895000      0.5519000    
 N    2.587600       1.091800     -0.1138000    
 N  -0.5725000       1.385000     -0.4701000    
 C    1.560100       1.061500      0.9281000    
 C    2.321800      -1.286000     -0.1883000    
 C    3.316300     -0.1225000     -0.4001000    
 C   0.6989000       1.943600      9.2000002E-03
 C    1.856400       1.824900      -1.001400    
 C    2.973600      -2.571700      0.3311000    
 C    1.569700      -1.601300      -1.492300    
 C    4.472700     -8.0100000E-02  0.5522000    
 C   -1.692600       1.241800      0.3506000    
 C   -2.893100      0.6272000     -0.3671000    
 C   -2.824900     -0.8795000     -0.2673000    
 C   -4.237500       1.158400      0.1015000    
 C   -2.869600      -1.567100      0.9608000    
 C   -2.713000      -1.690100      -1.354800    
 C   -2.788400      -2.928700      0.7687000    
 H    1.877100       1.526700       1.865500    
 H    3.684700     -7.4299999E-02  -1.431700    
 H   0.5722000       2.971800      0.3690000    
 H    2.240500      -3.381100      0.4312000    
 H    3.747500      -2.920600     -0.3622000    
 H    3.442600      -2.434600       1.311800    
 H    2.268700      -1.948700      -2.262300    
 H   0.8274000      -2.395400      -1.348700    
 H    1.048900     -0.7297000      -1.901100    
 H  -0.6512000       1.080400      -1.437500    
 H   -2.834900      0.9017000      -1.431000    
 H    6.336000     -0.6433000      0.6115000    
 H   -2.955800      -1.113800       1.940000    
 H   -2.657200      -1.417600      -2.399500    
 H   -2.797700      -3.703000       1.522800    
 H   -5.205300       2.849900      0.1584000    


%chk=000036921-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036921

0 1
S 1.256618 -1.155487 1.053761
S -2.858831 -3.005714 -1.303941
O 1.631205 1.778794 -2.218475
O 5.840053 -0.462367 0.013532
O 4.603578 0.372244 1.798708
O -1.982589 2.981924 0.300594
O -5.359820 2.154161 -0.177784
O -4.440047 1.239469 1.747660
N 2.521359 0.924522 -0.114895
N -0.791692 1.018217 -0.108696
C 1.539117 0.734009 0.979810
C 2.701203 -1.526562 -0.216283
C 3.487693 -0.144526 -0.357198
C 0.504082 1.591103 0.153600
C 1.576795 1.513994 -1.007438
C 3.551050 -2.675916 0.357168
C 2.079063 -1.906263 -1.577390
C 4.656897 -0.029390 0.619344
C -1.954420 1.761099 -0.021934
C -3.257590 1.000097 -0.422677
C -3.140075 -0.515835 -0.443997
C -4.375518 1.457240 0.520419
C -3.086821 -1.349481 0.743941
C -3.030882 -1.250100 -1.618081
C -2.941496 -2.694590 0.465047
H 1.843610 1.086054 1.972631
H 3.874328 -0.063094 -1.387054
H 0.359802 2.615607 0.538279
H 2.952825 -3.602196 0.407194
H 4.422392 -2.866751 -0.296379
H 3.910014 -2.449281 1.375159
H 2.871662 -2.222697 -2.283130
H 1.370100 -2.743318 -1.456798
H 1.533116 -1.061113 -2.030651
H -0.844933 0.014435 -0.315056
H -3.511870 1.367634 -1.432740
H 6.592940 -0.405160 0.663512
H -3.169585 -0.943705 1.754678
H -3.049947 -0.893723 -2.647334
H -2.875557 -3.535514 1.152521
H -6.064130 2.460579 0.456774


