%chk=000056428.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056428

0 1
 O   0.8895000     -0.6577000     -0.5047000    
 O  -0.9368000      -2.611100      0.2516000    
 O    4.171200       1.845200      0.3567000    
 O    3.321000      -1.621100     -9.8999999E-03
 N    4.280500      0.4425000      0.3121000    
 C   -2.986600      0.4016000      0.5405000    
 C  -0.3949000     -0.3152000     -0.1565000    
 C   -1.300400      -1.298800      0.2199000    
 C   -2.602000     -0.9389000      0.5699000    
 C   -4.377700      0.7864000      0.9152000    
 C   -2.069800       1.382200      0.1611000    
 C  -0.7685000       1.022300     -0.1888000    
 C    1.901500      0.2959000     -0.2507000    
 C   -5.323500      0.7963000     -0.2578000    
 C    3.225700     -0.3930000      2.9200001E-02
 C    5.623400     -2.9400000E-02  0.5963000    
 C   -1.126300      -3.365300     -0.9440000    
 C   -5.961800       1.885500     -0.7001000    
 C    4.435600       2.372700     -0.9402000    
 H   -3.312200      -1.708000      0.8641000    
 H   -4.766800      8.8500001E-02   1.668000    
 H   -4.366500       1.764800       1.413600    
 H   -2.359700       2.429200      0.1270000    
 H  -9.5799997E-02   1.812900     -0.5065000    
 H    2.008000      0.9358000      -1.131100    
 H    1.680300      0.9018000      0.6378000    
 H   -5.504600     -0.1505000     -0.7611000    
 H    6.301100      0.3270000     -0.1839000    
 H    5.939300      0.3747000       1.562100    
 H    5.659100      -1.121200      0.6295000    
 H  -0.5390000      -2.941000      -1.764400    
 H   -2.186300      -3.393500      -1.215600    
 H  -0.7845000      -4.387800     -0.7618000    
 H   -6.636300       1.821200      -1.546800    
 H   -5.823300       2.853100     -0.2308000    
 H    5.516300       2.466300      -1.083700    
 H    4.012700       1.760000      -1.742100    
 H    3.993900       3.371300     -0.9971000    


%chk=000056428-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056428

0 1
O 0.806650 -0.844693 0.220315
O -1.226203 -2.845759 0.524698
O 3.998969 1.750119 -0.028507
O 3.329886 -1.778676 0.202013
N 4.267184 0.317960 -0.108508
C -3.324487 0.199089 0.288581
C -0.544622 -0.445271 0.208015
C -1.513848 -1.487504 0.343927
C -2.883571 -1.141564 0.384239
C -4.815233 0.534182 0.377919
C -2.352760 1.216181 0.133531
C -0.977933 0.896366 0.092834
C 1.816322 0.187691 0.086430
C -5.276398 1.555788 -0.645192
C 3.175534 -0.532602 0.076027
C 5.658641 -0.076141 0.133072
C -0.096705 -3.474716 -0.199710
C -5.910954 2.719314 -0.353610
C 4.227691 2.386048 -1.351740
H -3.599505 -1.963530 0.495274
H -5.395131 -0.401232 0.243090
H -5.057903 0.908667 1.392812
H -2.670505 2.261044 0.046220
H -0.246723 1.704786 -0.007789
H 1.681429 0.763411 -0.852807
H 1.778306 0.904602 0.931067
H -5.067643 1.302516 -1.696062
H 6.310227 0.228053 -0.705027
H 6.029364 0.373384 1.072196
H 5.670785 -1.174346 0.220656
H 0.874296 -3.099860 0.157466
H -0.188390 -3.292392 -1.287696
H -0.210187 -4.549885 0.009387
H -6.235005 3.411162 -1.139317
H -6.128167 3.010085 0.682276
H 5.288488 2.303984 -1.650892
H 3.579815 1.934831 -2.125092
H 3.964086 3.443610 -1.193098


