%chk=000131165.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131165

0 1
 O  -0.3527000       1.367900       1.066900    
 O    5.228500       1.583600     -6.5700002E-02
 O    3.246300       2.476800      0.5783000    
 N    1.861500      0.2393000     -5.3300001E-02
 C    3.291000      0.2265000     -0.3663000    
 C    1.118500     -0.9068000      0.1044000    
 C  -0.2631000     -0.8743000      0.4070000    
 C    1.723000      -2.177100     -3.4400001E-02
 C  -0.9452000      0.4045000      0.5629000    
 C    3.501000     -5.2000000E-03  -1.833600    
 C  -0.9992000      -2.048800      0.5621000    
 C   -2.359000      0.6118000      0.1324000    
 C   0.9870000      -3.351900      0.1206000    
 C  -0.3740000      -3.287700      0.4189000    
 C    3.878900       1.544900      9.8300003E-02
 C   -3.038500     -0.4441000     -0.4309000    
 C   -2.928600       1.851100      0.3151000    
 C   -4.359800     -0.2501000     -0.8335000    
 C   -4.250100       2.045100     -8.7399997E-02
 C   -4.965500      0.9945000     -0.6618000    
 H    3.806900     -0.5296000      0.2378000    
 H    1.385000       1.133700     -5.5000000E-02
 H    2.777400      -2.298300     -0.2625000    
 H    3.058100     -0.9415000      -2.185600    
 H    4.568100     -3.5999998E-02  -2.080200    
 H    3.059700      0.8041000      -2.427700    
 H   -2.003100      -2.075800      0.9769000    
 H    1.475000      -4.317000      1.9500000E-02
 H  -0.9363000      -4.202700      0.5813000    
 H   -2.626900      -1.375900     -0.7848000    
 H   -2.391800       2.683700      0.7588000    
 H   -4.905700      -1.054200      -1.319100    
 H   -4.721400       3.014800      4.4100001E-02
 H   -5.991100       1.148400     -0.9844000    
 H    5.609000       2.434500      0.2400000    


%chk=000131165-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131165

0 1
O -0.270308 1.589151 0.186555
O 5.341055 1.574629 0.007194
O 3.281992 2.630449 0.231909
N 1.948929 0.219670 -0.083202
C 3.386620 0.215064 -0.339263
C 1.188082 -0.920378 0.076513
C -0.257854 -0.824023 0.226077
C 1.785765 -2.223924 0.107607
C -0.936285 0.485875 0.132443
C 3.747063 -0.140283 -1.814431
C -0.995206 -2.013684 0.506394
C -2.428074 0.591143 -0.051189
C 1.016173 -3.368660 0.357251
C -0.382967 -3.273514 0.580117
C 3.941773 1.597471 0.002476
C -3.163748 -0.271005 -0.908596
C -3.098603 1.674072 0.577903
C -4.545831 -0.063758 -1.113440
C -4.482057 1.867469 0.388967
C -5.211239 0.997198 -0.456916
H 3.900045 -0.504436 0.330443
H 1.437307 1.121346 0.013093
H 2.864603 -2.334138 -0.035168
H 3.323160 -1.125275 -2.072675
H 4.841092 -0.171064 -1.949489
H 3.317806 0.608382 -2.502213
H -2.069105 -1.927200 0.696507
H 1.510341 -4.346508 0.395544
H -0.972591 -4.166357 0.808745
H -2.650788 -1.077991 -1.442162
H -2.514072 2.357402 1.202463
H -5.099919 -0.724692 -1.789230
H -4.990823 2.697528 0.891377
H -6.285057 1.151833 -0.611463
H 5.685622 2.486408 0.208960


