%chk=000058505.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058505

0 1
 S    5.611100      0.8479000     -0.2205000    
 O   -1.257600      -1.838000       1.039500    
 O    6.895300      0.8343000     -0.8960000    
 O    4.793800       2.044800     -0.2155000    
 N   -5.202500      0.2377000     -2.8400000E-02
 N   -1.518200      0.3974000      0.4776000    
 N    4.702700     -0.5158000     -0.7511000    
 C   -3.788200      0.1601000     -0.3925000    
 C   -5.534300       1.579300      0.4498000    
 C   -6.044300     -0.1210000      -1.169200    
 C   -2.914100      0.4953000      0.8070000    
 C   -6.986000       1.661600      0.8904000    
 C   -5.713000      -1.513100      -1.679700    
 C  -0.7936000     -0.7798000      0.6232000    
 C   0.6463000     -0.7100000      0.2640000    
 C    3.319400     -0.5812000     -0.4041000    
 C    1.527300      -1.580100      0.8719000    
 C    1.056100      0.2222000     -0.6665000    
 C    2.879100      -1.514900      0.5340000    
 C    2.407900      0.2874000      -1.004400    
 C    5.912800      0.3858000       1.470600    
 H   -3.511600     -0.8536000     -0.7013000    
 H   -3.550100      0.8287000      -1.230900    
 H   -4.967200       1.833300       1.349200    
 H   -5.328300       2.349500     -0.3039000    
 H   -7.098000     -0.1575000     -0.8740000    
 H   -5.954500      0.6025000      -1.989400    
 H   -3.132000     -0.1692000       1.651100    
 H   -3.030500       1.528800       1.141700    
 H   -1.060600       1.254300      0.1865000    
 H   -7.147800       2.589500       1.451100    
 H   -7.258400      0.8308000       1.550500    
 H   -7.679400       1.686100      4.4100001E-02
 H   -5.650000      -2.242600     -0.8649000    
 H   -6.505600      -1.851500      -2.357100    
 H   -4.783300      -1.538400      -2.256500    
 H    1.201700      -2.309000       1.607900    
 H   0.3749000      0.8890000      -1.184400    
 H    3.580800      -2.195200       1.009600    
 H    2.732800       1.006200      -1.752100    
 H    5.192200      -1.418500     -0.6852000    
 H    6.552100       1.150300       1.918000    
 H    4.964200      0.3415000       2.008000    
 H    6.423200     -0.5788000       1.490600    


%chk=000058505-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058505

0 1
S 6.089049 0.423071 0.284135
O -1.434617 -1.528341 0.103470
O 7.482279 -0.002849 -0.427059
O 5.769918 1.944404 0.735225
N -5.296605 0.561436 -0.215409
N -1.543084 0.764510 0.458762
N 4.803535 -0.107426 -0.944867
C -3.856854 0.700903 -0.545802
C -6.152353 1.656098 -0.745080
C -5.836024 -0.796763 -0.492781
C -2.989971 0.734216 0.743461
C -7.474027 1.828551 0.029872
C -5.173627 -1.906025 0.347009
C -0.849142 -0.395782 0.160018
C 0.628673 -0.262180 -0.096745
C 3.426220 -0.164809 -0.632630
C 1.272030 -1.327006 -0.778281
C 1.412583 0.844383 0.325908
C 2.653301 -1.293612 -1.032600
C 2.792136 0.909228 0.053789
C 5.801181 -0.687794 1.827921
H -3.502505 -0.140256 -1.177156
H -3.683274 1.630784 -1.123868
H -5.576925 2.597135 -0.659386
H -6.377294 1.516536 -1.834490
H -6.917796 -0.781868 -0.267958
H -5.735578 -1.049529 -1.580833
H -3.205367 -0.170112 1.334145
H -3.257461 1.616015 1.352118
H -1.076246 1.667521 0.373944
H -8.025196 2.710009 -0.347748
H -7.266534 1.972942 1.104756
H -8.138289 0.952453 -0.076104
H -5.313954 -1.706926 1.424892
H -5.638268 -2.881633 0.110960
H -4.090331 -1.993289 0.147538
H 0.663773 -2.187495 -1.075417
H 0.961042 1.669252 0.890197
H 3.138320 -2.131885 -1.547350
H 3.382369 1.782287 0.349249
H 5.216267 -0.814729 -1.566585
H 6.501919 -0.311350 2.585911
H 4.751329 -0.549235 2.120468
H 6.029999 -1.714740 1.513098


