%chk=000094915.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094915

0 1
 O    1.852600      -1.929700      0.8112000    
 O   -2.602500     -0.6264000      0.8961000    
 O   0.7519000       2.581500      0.8091000    
 N  -0.3866000      -1.304300      0.8089000    
 N    1.330000      0.3294000      0.7974000    
 N  -0.9429000      0.9990000      0.8068000    
 C   0.9956000      -1.040300      0.8036000    
 C   -1.404900     -0.3299000      0.8389000    
 C   0.4104000       1.394600      0.8024000    
 C  -0.8006000      -2.704500      0.7812000    
 C    2.755700      0.6473000      0.7926000    
 C   -1.949500       2.056900      0.7753000    
 C  -0.9564000      -3.160700     -0.6415000    
 C    3.248500      0.7525000     -0.6223000    
 C   -2.293900       2.389000     -0.6485000    
 C   0.2732000      -3.140700      -1.504600    
 C    2.645500       1.829800      -1.478400    
 C   -2.907300       1.295700      -1.476700    
 C   -2.134000      -3.600500      -1.111300    
 C    4.210800     -5.7000000E-02  -1.091100    
 C   -2.095600       3.618300      -1.149000    
 H   -1.733700      -2.822900       1.344500    
 H  -5.2999999E-02  -3.329400       1.283700    
 H    3.308300     -0.1127000       1.357500    
 H    2.925700       1.600900       1.306400    
 H   -1.574700       2.935900       1.312700    
 H   -2.854600       1.733200       1.302400    
 H   0.5974000      -2.116300      -1.709500    
 H    1.089300      -3.691500      -1.026800    
 H   9.1799997E-02  -3.618000      -2.474400    
 H    1.595500       1.618000      -1.700400    
 H    2.722500       2.803400     -0.9844000    
 H    3.164000       1.918000      -2.439800    
 H   -2.185400      0.4991000      -1.679000    
 H   -3.781600      0.8735000     -0.9718000    
 H   -3.250000       1.670400      -2.447900    
 H   -3.018600      -3.626700     -0.4836000    
 H   -2.242100      -3.941700      -2.135500    
 H    4.655100     -0.8263000     -0.4683000    
 H    4.574800      2.8600000E-02  -2.109600    
 H   -1.664500       4.411000     -0.5464000    
 H   -2.356800       3.860200      -2.173800    


%chk=000094915-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094915

0 1
O 1.941838 -1.888364 0.867461
O -2.597607 -0.741898 0.870782
O 0.664167 2.616630 0.860178
N -0.336259 -1.341229 0.788609
N 1.330209 0.370294 0.787164
N -0.985328 0.957530 0.779745
C 1.040148 -1.012431 0.814968
C -1.388549 -0.398691 0.814657
C 0.356949 1.397620 0.809343
C -0.713964 -2.790031 0.771882
C 2.773993 0.768199 0.776398
C -2.051057 2.009004 0.751688
C -1.016082 -3.311406 -0.631209
C 3.377653 0.795605 -0.626173
C -2.362130 2.504241 -0.659252
C 0.117792 -3.257064 -1.637688
C 2.782072 1.787765 -1.607284
C -2.920995 1.483496 -1.632764
C -2.239310 -3.827116 -0.917511
C 4.422335 -0.016286 -0.932783
C -2.170364 3.809991 -0.980050
H -1.592651 -2.904611 1.425342
H 0.147864 -3.327333 1.205095
H 3.311553 0.050157 1.414720
H 2.809778 1.774070 1.230365
H -1.702548 2.839236 1.385121
H -2.944276 1.542201 1.202509
H 0.410254 -2.211724 -1.858853
H 1.024399 -3.754859 -1.245860
H -0.168532 -3.735266 -2.589588
H 1.728775 1.538707 -1.843012
H 2.769253 2.809254 -1.183615
H 3.345607 1.800691 -2.555521
H -2.186813 0.680888 -1.841730
H -3.814093 0.982087 -1.215384
H -3.191102 1.952705 -2.593832
H -3.048785 -3.829127 -0.178955
H -2.464534 -4.251530 -1.902861
H 4.815530 -0.742827 -0.212885
H 4.903965 0.018943 -1.916974
H -1.741015 4.519998 -0.264281
H -2.428738 4.199183 -1.971859


