%chk=000130559.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130559

0 1
 S    2.417600      2.1400001E-02  0.7460000    
 O    2.959400       1.339100       1.022700    
 O    2.546000      -1.026500       1.741900    
 N    3.027000     -0.5441000     -0.7649000    
 N   -4.301100     -0.2795000     -0.1792000    
 N   -5.048900      -1.125000     -1.4100000E-02
 C   0.6895000      0.2224000      0.4150000    
 C   0.2323000       1.438800     -5.7100002E-02
 C  -0.1657000     -0.8409000      0.6370000    
 C    2.480000      -1.816500      -1.300700    
 C    3.256800      0.4571000      -1.837400    
 C   -2.008700      0.5367000     -9.9600002E-02
 C   -1.129000       1.597300     -0.3166000    
 C   -1.527000     -0.6824000      0.3773000    
 C   -3.428000      0.7022000     -0.3702000    
 H   0.9023000       2.273300     -0.2386000    
 H   0.1907000      -1.798700       1.003200    
 H    2.343100      -2.547000     -0.4987000    
 H    3.191800      -2.248200      -2.011600    
 H    1.528300      -1.649000      -1.812400    
 H    3.803300       1.319900      -1.447400    
 H    2.308300      0.7865000      -2.269900    
 H    3.871700      1.7000001E-02  -2.629000    
 H   -1.490200       2.552300     -0.6894000    
 H   -2.182200      -1.530000      0.5568000    
 H   -3.801000       1.668400     -0.7464000    


%chk=000130559-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130559

0 1
S 2.451120 -0.024449 0.722334
O 3.071362 1.449501 1.021167
O 2.587924 -1.287157 1.739295
N 3.299338 -0.592585 -0.879321
N -4.470133 -0.119465 -0.177457
N -5.284595 -0.969164 -0.038462
C 0.608489 0.214813 0.387200
C 0.159391 1.480471 -0.032880
C -0.261524 -0.871101 0.598533
C 2.828106 -1.938676 -1.278057
C 3.203942 0.453803 -1.922782
C -2.134794 0.578606 -0.079181
C -1.216647 1.656717 -0.267217
C -1.635892 -0.685876 0.362071
C -3.551327 0.821386 -0.332452
H 0.867827 2.308664 -0.138745
H 0.131025 -1.823036 0.971195
H 2.821674 -2.590451 -0.388679
H 3.566410 -2.345106 -1.992945
H 1.825054 -1.944655 -1.762196
H 3.470553 1.426194 -1.476688
H 2.204889 0.518858 -2.410896
H 3.957551 0.215327 -2.695138
H -1.588425 2.636531 -0.587433
H -2.324088 -1.521552 0.532274
H -3.920932 1.796999 -0.656840


