%chk=000019741.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019741

0 1
 S   -2.116500     -0.4989000      -2.122600    
 O   -2.072800      -2.047000       1.992700    
 O   -3.120600       1.513100       1.959700    
 O   -5.218500       1.449800       1.070300    
 O    1.951200      -1.504000      -1.470200    
 N   -2.079000     -0.2533000      0.4587000    
 N   0.8308000      -1.520200      0.5622000    
 N    4.608300       2.062300      0.8454000    
 C   -1.090300     -0.2890000     -0.6233000    
 C   -3.510200      0.4601000      -1.345900    
 C   -3.464900      4.4599999E-02  0.1416000    
 C  -0.5321000      -1.568100      1.5100000E-02
 C   -1.642100      -1.393300       1.069800    
 C   -3.245500       1.953500      -1.586200    
 C   -4.827600      4.8599999E-02  -2.006500    
 C   -4.057500       1.068700       1.086700    
 C    1.972300      -1.491800     -0.2421000    
 C    3.247400      -1.441800      0.5766000    
 C    4.082500     -0.2184000      0.3056000    
 C    5.045400     -0.2362000     -0.6844000    
 C    3.894600      0.9306000       1.039400    
 C    5.800200      0.9089000     -0.9138000    
 C    5.545000       2.021800     -0.1287000    
 H  -0.4359000      0.5881000     -0.6182000    
 H   -4.028700     -0.8842000      0.3065000    
 H  -0.6744000      -2.484800     -0.5713000    
 H   -2.331000       2.298500      -1.090800    
 H   -3.152400       2.176800      -2.655900    
 H   -4.071200       2.567200      -1.208800    
 H   -4.830500      0.2791000      -3.078200    
 H   -5.022200      -1.024300      -1.893600    
 H   -5.672700      0.5817000      -1.557000    
 H   0.9558000      -1.505300       1.571600    
 H   -3.485000       2.179900       2.580100    
 H    3.821100      -2.347700      0.3416000    
 H    3.035700      -1.505700       1.650900    
 H    5.220500      -1.124000      -1.284700    
 H    3.148700      0.9922000       1.825200    
 H    6.563500      0.9298000      -1.683000    
 H    6.106100       2.940000     -0.2680000    


%chk=000019741-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019741

0 1
S -1.909573 -0.160454 -2.210159
O -2.019249 -2.393902 1.738676
O -3.560927 1.588761 1.847449
O -5.613869 0.893904 1.011188
O 2.132792 -2.239886 -0.991874
N -2.192069 -0.344008 0.440271
N 0.936314 -1.189992 0.704344
N 5.334295 1.831580 0.909806
C -1.083664 -0.049903 -0.506102
C -3.531538 0.575292 -1.414445
C -3.571564 -0.064086 0.047253
C -0.338332 -1.331621 0.036449
C -1.610407 -1.539143 0.934249
C -3.402504 2.113892 -1.385006
C -4.743662 0.120927 -2.244166
C -4.364911 0.829214 1.002089
C 2.111524 -1.683088 0.145145
C 3.380805 -1.474025 0.983044
C 4.220669 -0.313566 0.456952
C 4.670730 -0.270329 -0.887921
C 4.583628 0.762081 1.306369
C 5.448788 0.826866 -1.315161
C 5.756010 1.851154 -0.388715
H -0.574130 0.915274 -0.371696
H -4.133083 -1.016916 -0.004675
H -0.237425 -2.107793 -0.741672
H -2.555803 2.448038 -0.760819
H -3.245336 2.491022 -2.408959
H -4.328841 2.574153 -0.990148
H -4.717751 0.570134 -3.252223
H -4.770622 -0.977198 -2.352144
H -5.676045 0.446440 -1.746539
H 0.965432 -0.752656 1.627190
H -4.141812 2.145937 2.435006
H 3.957339 -2.414452 0.914165
H 3.138817 -1.309384 2.049116
H 4.399156 -1.076607 -1.578063
H 4.265063 0.771169 2.357473
H 5.812090 0.891771 -2.345651
H 6.357165 2.718700 -0.683598


