%chk=000016703.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016703

0 1
 O   0.6383000      0.9857000       2.291400    
 O  -9.4200000E-02  0.2894000      -2.406300    
 O    2.392100      -2.634400      9.6900001E-02
 N    1.495100     -0.8116000       1.165300    
 N    1.140100      -1.150000      -1.126800    
 C   0.1123000      0.8165000     -5.8800001E-02
 C   0.5497000       2.259400     -0.3450000    
 C   0.7634000      0.3608000       1.236000    
 C   0.3683000     -1.5300000E-02  -1.305000    
 C   -1.368600      0.7445000      0.1880000    
 C    2.050800       2.350500     -0.5188000    
 C   -2.017400     -0.3832000      0.5123000    
 C    1.720100      -1.602500      4.8799999E-02
 C   -3.496300     -0.4548000      0.7530000    
 C   -4.253700     -0.7552000     -0.5309000    
 H   0.2524000       2.928000      0.4739000    
 H   6.4199999E-02   2.646600      -1.250400    
 H   -1.943600       1.663900      9.7300000E-02
 H    2.593200       2.063800      0.3871000    
 H    2.409500       1.731300      -1.346700    
 H    2.331700       3.384900     -0.7453000    
 H    1.922000      -1.127100       2.031900    
 H    1.304100      -1.715900      -1.954800    
 H   -1.474200      -1.321100      0.5950000    
 H   -3.859700      0.4892000       1.176600    
 H   -3.700100      -1.230900       1.499400    
 H   -5.327700     -0.8204000     -0.3290000    
 H   -3.933100      -1.707900     -0.9658000    
 H   -4.098100      3.0300001E-02  -1.278300    


%chk=000016703-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016703

0 1
O 0.495880 0.292917 2.144134
O 0.638180 0.992134 -2.661075
O 2.277735 -2.897468 -0.717686
N 1.313598 -1.286397 0.675719
N 1.421595 -0.934641 -1.656697
C 0.201234 0.768644 -0.251356
C 0.556862 2.279075 -0.019435
C 0.680284 -0.058911 0.950374
C 0.776621 0.314438 -1.611050
C -1.332623 0.633781 -0.404703
C 2.070781 2.567927 0.045934
C -2.207281 0.158754 0.516836
C 1.705064 -1.789140 -0.577346
C -3.706127 0.099480 0.309251
C -4.263171 -1.339786 0.463964
H 0.066685 2.576471 0.923805
H 0.095959 2.852961 -0.842736
H -1.696167 1.014257 -1.370272
H 2.554727 2.021592 0.876290
H 2.578334 2.300778 -0.898986
H 2.240841 3.645496 0.218058
H 1.563994 -1.867857 1.482535
H 1.733596 -1.263259 -2.576598
H -1.841943 -0.202953 1.489260
H -3.968203 0.500593 -0.688064
H -4.200225 0.752857 1.057641
H -5.362098 -1.349407 0.348410
H -4.023094 -1.753366 1.460990
H -3.830437 -2.014469 -0.296199


