%chk=000052202.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052202

0 1
 S   -2.693200     -0.3286000      0.2073000    
 O  -0.2898000     -0.3684000       2.096400    
 O    1.405200     -0.3931000      -2.282700    
 O    2.016700       3.241200      0.4513000    
 N   0.7774000       1.472400       1.239200    
 N    1.623600       1.460400     -0.9485000    
 C   2.6000000E-03 -0.2665000     -0.3086000    
 C  -2.8500000E-02  -1.801800     -0.3121000    
 C    1.275600      -2.428000      0.1916000    
 C   -1.341600      0.2706000     -0.8317000    
 C   0.1580000      0.2369000       1.122900    
 C    1.083000      0.2237000      -1.267400    
 C    2.491500      -1.998000     -0.6304000    
 C    1.483600      -2.048700       1.659800    
 C    1.494200       2.142600      0.2552000    
 C   -4.071000      0.4615000     -0.6581000    
 C   -5.387300      0.1239000      1.5900001E-02
 H  -0.8305000      -2.216800      0.3087000    
 H  -0.2192000      -2.171700      -1.329200    
 H    1.178100      -3.518900      0.1234000    
 H   -1.510900     -5.5599999E-02  -1.864700    
 H   -1.354000       1.366800     -0.8252000    
 H    3.329700      -2.634700     -0.3083000    
 H    2.388500      -2.242800      -1.690100    
 H    2.868100     -0.9943000     -0.4291000    
 H   0.6297000      -2.306900       2.291600    
 H    2.270200      -2.720300       2.038700    
 H    1.926200      -1.067600       1.839900    
 H   0.7746000       1.896400       2.162600    
 H    2.244500       1.875600      -1.637500    
 H   -3.925400       1.546300     -0.6555000    
 H   -4.091600      0.1164000      -1.696600    
 H   -5.577100     -0.9549000      1.0400000E-02
 H   -5.410700      0.4766000       1.052600    
 H   -6.213300      0.6074000     -0.5163000    


%chk=000052202-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052202

0 1
S -2.951849 0.660318 0.516661
O -0.274092 0.407857 2.388495
O 0.707382 0.430815 -2.388512
O 3.395584 2.675698 0.663692
N 1.511881 1.549693 1.474115
N 2.026434 1.508018 -0.828823
C -0.058134 0.313328 -0.058352
C -0.361227 -1.220390 -0.132036
C 0.773694 -2.257699 0.119694
C -1.381860 1.132186 -0.405388
C 0.369034 0.724854 1.357511
C 0.912441 0.724972 -1.181366
C 1.910872 -2.230800 -0.931875
C 1.359317 -2.234936 1.553397
C 2.383150 1.962821 0.454347
C -3.835570 -0.359402 -0.829606
C -5.232411 -0.737047 -0.316980
H -1.170547 -1.391707 0.603398
H -0.771889 -1.400507 -1.144622
H 0.255843 -3.234465 0.003758
H -1.576628 1.000170 -1.483200
H -1.215790 2.205088 -0.205830
H 2.561851 -3.116113 -0.808431
H 1.517857 -2.229241 -1.964130
H 2.554553 -1.338477 -0.815066
H 0.566058 -2.218501 2.321097
H 1.987338 -3.130254 1.717597
H 2.006872 -1.353320 1.719830
H 1.756947 1.860026 2.420476
H 2.646552 1.801658 -1.591035
H -3.895735 0.262786 -1.739348
H -3.227296 -1.254659 -1.039120
H -5.171057 -1.343502 0.604092
H -5.834994 0.162073 -0.097788
H -5.767681 -1.330241 -1.081152


