%chk=000047732.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047732

0 1
 O    5.737200       3.194900     -0.2567000    
 O   -1.302100      -2.047200     -0.5823000    
 O    1.109200      -2.780700      -1.527500    
 O   -3.923100      0.5602000       2.428000    
 O   -4.730500      0.7930000      -2.287400    
 O   -5.348100       1.596400      0.2906000    
 N    5.287000      0.4426000      0.3123000    
 N    2.119900      -2.522700      0.5527000    
 C    4.464000     -0.6618000      0.8008000    
 C    5.541700       1.416800       1.382500    
 C    4.644200       1.106400     -0.8303000    
 C    4.291300      -1.716900     -0.2930000    
 C    6.390900       2.565700      0.8462000    
 C    5.515400       2.261900      -1.314800    
 C    3.452500      -2.903800      0.1722000    
 C    1.050600      -2.492500     -0.3353000    
 C  -0.2325000      -2.055600      0.3390000    
 C   -2.310900      -1.138600     -0.3647000    
 C   -3.016000     -0.6283000      -1.445600    
 C   -2.608800     -0.7458000      0.9329000    
 C   -3.632300      0.1759000       1.153800    
 C   -4.039400      0.2935000      -1.224900    
 C   -4.347700      0.6955000      7.4800000E-02
 C   -4.897600     -0.2086000       3.130400    
 C   -4.223300       1.982500      -2.888900    
 C   -4.991600       2.817100      0.9352000    
 H    3.487900     -0.2960000       1.143400    
 H    4.954900      -1.132700       1.661800    
 H    6.074000      0.9397000       2.213300    
 H    4.593900       1.814000       1.768900    
 H    4.529700      0.4431000      -1.690900    
 H    3.653600       1.485800     -0.5481000    
 H    5.273300      -2.081900     -0.6181000    
 H    3.783400      -1.313100      -1.173700    
 H    7.385300       2.223000      0.5353000    
 H    6.530100       3.321600       1.625700    
 H    5.010500       2.795200      -2.126700    
 H    6.480100       1.909000      -1.699600    
 H    3.916500      -3.381800       1.041500    
 H    3.395300      -3.649500     -0.6285000    
 H    1.961900      -2.261900       1.521900    
 H  -3.3799998E-02  -1.056300      0.7494000    
 H  -0.4542000      -2.757300       1.151200    
 H   -2.773200     -0.9445000      -2.456600    
 H   -2.088400      -1.151300       1.795700    
 H   -5.858600     -0.1851000       2.606800    
 H   -4.558200      -1.242700       3.247100    
 H   -5.029600      0.2305000       4.122900    
 H   -3.218600       1.811600      -3.288300    
 H   -4.885400       2.257900      -3.714400    
 H   -4.205200       2.804200      -2.166200    
 H   -3.942500       3.084400      0.7665000    
 H   -5.616500       3.612500      0.5183000    
 H   -5.200100       2.750500       2.006500    


%chk=000047732-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047732

0 1
O 6.599768 -0.296193 3.273256
O -0.425309 0.465608 -1.237100
O 2.122363 2.281450 -3.093101
O -4.719245 2.686010 -0.472746
O -3.837024 -1.934978 1.088164
O -5.675208 0.300904 0.858232
N 5.377969 -0.705035 0.658989
N 1.984630 0.117966 -2.207401
C 4.276472 -0.903523 -0.315644
C 5.431232 -1.792586 1.672461
C 5.323463 0.614823 1.342694
C 4.428660 -0.030360 -1.577152
C 6.649959 -1.598931 2.589025
C 6.538528 0.779979 2.269574
C 3.332134 -0.295764 -2.635966
C 1.493849 1.372794 -2.466894
C 0.072345 1.645272 -1.957135
C -1.733201 0.512065 -0.714414
C -2.153922 -0.650113 -0.031609
C -2.581481 1.637169 -0.825686
C -3.878506 1.570374 -0.269658
C -3.453012 -0.711725 0.512851
C -4.343707 0.393671 0.376325
C -5.261862 3.313461 0.755680
C -4.425547 -1.885082 2.445990
C -6.672545 0.128923 -0.228458
H 3.274877 -0.717807 0.154675
H 4.296198 -1.969320 -0.621220
H 5.516265 -2.764921 1.150277
H 4.504171 -1.817408 2.300667
H 5.336461 1.423396 0.590089
H 4.384285 0.718935 1.944503
H 5.417909 -0.237116 -2.028470
H 4.405018 1.045542 -1.325435
H 7.581010 -1.669484 1.985949
H 6.669100 -2.354197 3.392269
H 6.472918 1.717147 2.846685
H 7.469504 0.778150 1.662502
H 3.299514 -1.371056 -2.896860
H 3.570356 0.274957 -3.550636
H 1.377395 -0.515402 -1.680529
H -0.573617 1.876267 -2.826724
H 0.101202 2.529259 -1.290713
H -1.488992 -1.510953 0.069620
H -2.285746 2.562904 -1.324583
H -5.831151 2.581251 1.353887
H -4.436286 3.736958 1.358599
H -5.918598 4.121862 0.400223
H -5.335653 -1.263584 2.459422
H -4.661589 -2.931730 2.691045
H -3.682540 -1.489786 3.165189
H -6.481420 -0.813977 -0.773012
H -7.652307 0.086133 0.271868
H -6.632985 0.986600 -0.924460


