%chk=000004100.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004100

0 1
 S   -2.793400      0.6293000     -0.1077000    
 S   0.2471000      0.9296000     -3.1099999E-02
 O   -2.635200       1.939400     -0.7114000    
 O   -3.632200     -0.3921000     -0.7075000    
 O    3.330100       1.362400       1.111400    
 N   0.2728000      -1.628500     -1.0800000E-02
 N   -1.067000      -1.340500     -4.2599998E-02
 N   -3.202800      0.8052000       1.540000    
 N    2.444200     -0.5434000      9.4999999E-02
 C   -1.201200     -5.1899999E-02 -6.0300000E-02
 C    1.159000     -0.5752000      2.7700000E-02
 C   0.6467000      -3.024000      4.4500001E-02
 C    3.053100      0.6935000      0.1174000    
 C    3.378900       1.196200      -1.264600    
 H   0.8708000      -3.313000       1.076000    
 H    1.533000      -3.212700     -0.5699000    
 H  -0.1580000      -3.667700     -0.3266000    
 H   -3.900000       1.524000       1.772200    
 H   -3.330500     -5.7799999E-02   2.083800    
 H    2.793500      0.6828000      -2.032500    
 H    3.160300       2.266200      -1.322200    
 H    4.441400       1.029300      -1.460600    


%chk=000004100-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004100

0 1
S -3.322294 0.494801 0.268793
S -0.207838 1.218166 -0.249696
O -3.380955 2.060270 -0.154788
O -4.290479 -0.646075 -0.352199
O 2.296388 2.069126 -0.660469
N 0.173309 -1.433104 -0.181771
N -1.198001 -1.285600 0.023092
N -3.430459 0.437720 2.092405
N 2.230453 -0.283159 -0.551225
C -1.517669 -0.015533 0.010008
C 0.935199 -0.280856 -0.351077
C 0.721223 -2.798856 -0.214445
C 2.906381 0.951784 -0.707921
C 4.394440 0.823458 -0.932750
H 0.544492 -3.294000 0.754151
H 1.799976 -2.717152 -0.407394
H 0.231525 -3.374300 -1.016347
H -3.748230 1.357067 2.438398
H -4.023639 -0.356895 2.378113
H 4.587057 0.216121 -1.835278
H 4.851067 1.817152 -1.046089
H 4.858654 0.290966 -0.083310


