%chk=000100701.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100701

0 1
 S  -0.1707000      -2.204100      0.4637000    
 O   -7.141600      0.1909000      -1.341500    
 O   -2.812100      -1.642800      0.8337000    
 O    2.784300       1.677400     -2.7300000E-02
 O   0.5955000       2.285600      0.2813000    
 N   -4.901700      0.1037000      0.4125000    
 N   -1.316400      0.1569000      0.5924000    
 C   -4.782900     -0.2672000      -1.004500    
 C   -5.975900       1.091300      0.5861000    
 C   -6.121000     -0.7926000      -1.516400    
 C   -7.285800      0.5330000      3.7500001E-02
 C   -3.633400      0.6218000      0.9213000    
 C   -2.558800     -0.4437000      0.7821000    
 C  -9.7900003E-02 -0.5064000      0.4261000    
 C    1.154800     -1.5200000E-02  0.2365000    
 C    2.106900      -1.068300      0.1149000    
 C    3.527100     -0.9514000     -9.3099996E-02
 C    1.520800      -2.310500      0.2195000    
 C    1.450400       1.395000      0.1712000    
 C    4.037200     -0.9138000      -1.388600    
 C    4.384300     -0.8765000       1.002100    
 C    5.412700     -0.8009000      -1.590200    
 C    5.759900     -0.7635000      0.8004000    
 C    6.274100     -0.7257000     -0.4957000    
 C    3.148000       3.060500     -0.1025000    
 C    4.642200       3.166200     -0.3215000    
 H   -4.489400      0.6086000      -1.598800    
 H   -4.040000      -1.050500      -1.180100    
 H   -6.106800       1.327500       1.648400    
 H   -5.727200       2.021500      5.8800001E-02
 H   -3.344100       1.539800      0.3950000    
 H   -3.714700      0.8525000       1.990300    
 H   -6.413700      -1.719300      -1.007800    
 H   -6.051200      -1.010300      -2.587000    
 H   -7.617700     -0.3479000      0.6006000    
 H   -8.073600       1.289500      0.1120000    
 H   -1.259200       1.172000      0.5758000    
 H    1.993900      -3.282000      0.1660000    
 H    3.379100     -0.9695000      -2.252400    
 H    3.999300     -0.9030000       2.018700    
 H    5.813100     -0.7703000      -2.599300    
 H    6.430600     -0.7037000       1.652400    
 H    7.345000     -0.6367000     -0.6526000    
 H    2.873800       3.559800      0.8332000    
 H    2.616500       3.531300     -0.9367000    
 H    4.933600       2.654100      -1.244400    
 H    5.186600       2.682200      0.4960000    
 H    4.955400       4.212100     -0.3839000    


%chk=000100701-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100701

0 1
S -0.037099 -2.482781 0.060392
O -7.772868 0.068146 -0.123781
O -2.733333 -1.651838 -0.109463
O 2.739396 1.736960 0.073429
O 0.490105 2.119312 -0.352013
N -4.880594 0.310814 -0.044363
N -1.170543 0.062783 -0.272605
C -5.542510 -0.701923 -0.913250
C -5.758260 1.497216 0.135061
C -6.892663 -1.102421 -0.302723
C -7.103616 1.055666 0.736254
C -3.531738 0.677730 -0.492828
C -2.483159 -0.421853 -0.260505
C -0.017205 -0.699374 -0.154409
C 1.292404 -0.163585 -0.147324
C 2.321181 -1.195899 -0.005565
C 3.802055 -1.020628 -0.051177
C 1.767919 -2.457373 0.123284
C 1.453823 1.296516 -0.167189
C 4.434332 -0.387706 -1.154180
C 4.613706 -1.563701 0.978749
C 5.839954 -0.295017 -1.221091
C 6.022311 -1.468749 0.914411
C 6.641473 -0.833459 -0.185709
C 2.948026 3.219781 0.089444
C 4.408678 3.444274 0.465478
H -5.708626 -0.294676 -1.943410
H -4.889896 -1.587886 -0.978871
H -5.268134 2.211742 0.824256
H -5.949334 2.023264 -0.834767
H -3.493517 0.945007 -1.584199
H -3.212477 1.583489 0.057783
H -6.721934 -1.594800 0.677968
H -7.443469 -1.784102 -0.971198
H -6.930428 0.621365 1.744452
H -7.801551 1.906157 0.811646
H -0.950128 1.080131 -0.377219
H 2.295897 -3.406867 0.193859
H 3.820067 0.024296 -1.961988
H 4.134212 -2.044000 1.839427
H 6.312099 0.187812 -2.084392
H 6.632762 -1.887456 1.722427
H 7.733593 -0.760811 -0.238705
H 2.244984 3.661740 0.817965
H 2.698895 3.613313 -0.912784
H 5.082203 2.957358 -0.259797
H 4.624782 3.031744 1.465368
H 4.627524 4.527690 0.478053


