%chk=000096770.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096770

0 1
 O    1.592100     -0.8996000       1.438600    
 O  -0.5736000      0.4739000      -1.625000    
 O    4.821800       1.696100       1.109900    
 O    3.729000       1.575900     -0.8785000    
 N  -0.5137000      -1.393100     -0.2532000    
 N    3.061100      -1.030200     -0.3555000    
 C   0.8149000      -1.840600     -0.6461000    
 C   -2.441000      7.6800004E-02 -0.2636000    
 C    1.835600      -1.200500      0.2721000    
 C   -1.092400     -0.2601000     -0.7879000    
 C    4.218000     -0.4672000      0.3034000    
 C   -2.850800       1.393900     -0.2761000    
 C   -3.240300     -0.9384000      0.2192000    
 C   -4.116900       1.710100      0.2165000    
 C   -4.506400     -0.6223000      0.7118000    
 C   -4.944700      0.7019000      0.7104000    
 C    4.207400       1.023200      0.1039000    
 H   0.8589000      -2.926900     -0.5288000    
 H   0.9966000      -1.573500      -1.691500    
 H  -0.9570000      -1.905000      0.5017000    
 H    3.165000      -1.307200      -1.327300    
 H    5.121100     -0.8906000     -0.1428000    
 H    4.174600     -0.7020000       1.371000    
 H   -2.216600       2.191100     -0.6522000    
 H   -2.953500      -1.984700      0.2050000    
 H   -4.458100       2.741300      0.2163000    
 H   -5.154900      -1.407800       1.088700    
 H   -5.931300      0.9478000       1.092300    
 H    4.822100       2.664900      0.9554000    


%chk=000096770-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096770

0 1
O 1.470054 -0.423468 1.483731
O -1.472515 0.386384 -2.339887
O 6.610987 -0.434248 1.160445
O 5.755883 -0.030316 -0.966807
N -0.492756 -0.072875 -0.300471
N 3.176664 -0.165636 -0.063857
C 0.850414 0.026325 -0.854098
C -2.954316 -0.017630 -0.446727
C 1.850488 -0.207556 0.288004
C -1.601163 0.111243 -1.099864
C 4.226586 -0.367668 0.932287
C -4.080308 0.373720 -1.215323
C -3.153178 -0.512246 0.869588
C -5.380597 0.286080 -0.677418
C -4.455833 -0.602022 1.407179
C -5.572339 -0.200254 0.637533
C 5.577492 -0.254346 0.251485
H 0.998448 -0.716755 -1.663267
H 1.013739 1.020573 -1.317245
H -0.531916 -0.243294 0.710213
H 3.480594 0.007559 -1.028046
H 4.138678 -1.357844 1.419349
H 4.157740 0.376331 1.748828
H -3.901722 0.738696 -2.232096
H -2.309922 -0.850209 1.483423
H -6.242687 0.594019 -1.279245
H -4.599971 -0.988637 2.422048
H -6.581990 -0.270491 1.057565
H 7.490445 -0.358234 0.700373


