%chk=000094627.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094627

0 1
 S   0.8858000      -1.444800     -0.7305000    
 S   -1.338200      -3.155800      0.3825000    
 O   -2.553400       2.002500      5.2200001E-02
 N   -1.526800     -0.5834000     -0.2544000    
 N    1.359900     -0.2834000      0.3556000    
 C    2.644000      0.3838000      0.1985000    
 C   -2.610600     -0.3367000      0.6866000    
 C   -1.386700      0.3877000      -1.330600    
 C   -2.563500       1.106400       1.169000    
 C   -1.393300       1.800400     -0.7627000    
 C    3.758700     -0.6330000      0.4660000    
 C    2.747100      0.9120000      -1.236200    
 C    2.739400       1.544500       1.195600    
 C  -0.7624000      -1.700100     -0.1916000    
 H   -2.571900     -0.9979000       1.556400    
 H   -3.547300     -0.5221000      0.1473000    
 H   -2.280600      0.2565000      -1.954900    
 H  -0.5354000      0.2355000      -1.995600    
 H   -3.447500       1.331700       1.773600    
 H   -1.676700       1.292800       1.786800    
 H  -0.4961000       2.003600     -0.1677000    
 H   -1.426700       2.531400      -1.576500    
 H    3.776300      -1.449000     -0.2651000    
 H    4.740600     -0.1467000      0.4191000    
 H    3.666200      -1.077900       1.464100    
 H    1.891800       1.546700      -1.497800    
 H    2.832700      0.1209000      -1.989300    
 H    3.645300       1.532600      -1.346100    
 H    2.657600       1.191300       2.230200    
 H    3.697000       2.069000       1.100400    
 H    1.941800       2.278200       1.030100    
 H    1.263800     -0.6308000       1.309600    


%chk=000094627-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094627

0 1
S 0.989691 -1.356403 1.149298
S -1.381920 -2.917072 0.508561
O -3.297059 1.868596 0.487740
N -1.367790 -0.220348 -0.040227
N 1.853132 0.272992 0.925595
C 2.975215 0.312267 -0.086925
C -2.750499 -0.306421 -0.590415
C -0.926156 1.193017 0.115102
C -3.715082 0.463549 0.333976
C -1.926514 1.934283 1.024914
C 4.094210 -0.717010 0.228970
C 2.381954 0.048283 -1.488252
C 3.537159 1.755232 -0.002515
C -0.736935 -1.326281 0.441926
H -3.037004 -1.368132 -0.669275
H -2.742774 0.155991 -1.595548
H -0.931476 1.660458 -0.889364
H 0.104759 1.214294 0.515431
H -4.726299 0.502196 -0.102483
H -3.757964 -0.032961 1.326420
H -1.899848 1.500481 2.047857
H -1.682246 3.008175 1.074732
H 3.689625 -1.745194 0.216941
H 4.903875 -0.658225 -0.521528
H 4.536898 -0.527332 1.225381
H 1.600643 0.791509 -1.726938
H 1.934640 -0.960226 -1.542040
H 3.174109 0.114941 -2.255193
H 3.937289 1.973044 1.006610
H 4.362663 1.882928 -0.725738
H 2.750192 2.494720 -0.233074
H 2.184413 0.554550 1.864661


