%chk=000031092.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031092

0 1
 O  -0.6201000      0.9731000      3.2099999E-02
 O    1.783900       1.645700     -0.2884000    
 N   -1.210900      -1.813800      2.2700001E-02
 N    2.653400     -0.2118000      0.8128000    
 C   0.2866000     -3.5000001E-03  0.5552000    
 C   0.1432000      -1.340000     -0.1588000    
 C   -2.220100     -0.8618000     -4.3200001E-02
 C   -1.914900      0.5100000     -3.5000000E-02
 C    1.637600      0.5839000      0.3114000    
 C    4.053800      0.1215000      0.6869000    
 C    4.624600     -0.4660000     -0.6014000    
 C   -3.565300      -1.246000     -8.3700001E-02
 C   -2.923100       1.471400     -0.1240000    
 C   -4.577300     -0.2859000     -0.1564000    
 C   -4.256000       1.070400     -0.1827000    
 C    6.104600     -0.1472000     -0.7473000    
 H   0.1278000     -9.3699999E-02   1.638400    
 H   0.3419000      -1.230200      -1.232700    
 H   0.8376000      -2.093000      0.2267000    
 H   -1.430200      -2.796000     -8.5100003E-02
 H    4.167600       1.210900      0.6982000    
 H    4.567500     -0.2901000       1.561900    
 H    2.421600      -1.061200       1.318700    
 H    4.483900      -1.553600     -0.6101000    
 H    4.081300     -7.0799999E-02  -1.468200    
 H   -3.836300      -2.299200     -7.0500001E-02
 H   -2.678100       2.529800     -0.1360000    
 H   -5.617100     -0.5975000     -0.1961000    
 H   -5.045000       1.814200     -0.2441000    
 H    6.271400      0.9343000     -0.7771000    
 H    6.678900     -0.5611000      8.7600000E-02
 H    6.495200     -0.5772000      -1.674800    


%chk=000031092-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031092

0 1
O -0.142925 -0.066122 0.272706
O 2.458974 -1.943291 -1.459900
N -1.888315 -1.505432 -1.461186
N 2.392787 0.102984 -0.315593
C 0.338187 -1.232285 -0.504985
C -0.474366 -1.368421 -1.813320
C -2.430204 -0.722596 -0.433359
C -1.556475 -0.001801 0.437961
C 1.835765 -1.052919 -0.799089
C 3.818216 0.425193 -0.477135
C 4.651352 0.149410 0.797574
C -3.828029 -0.619640 -0.205263
C -2.056981 0.799738 1.477263
C -4.333101 0.182555 0.839736
C -3.452423 0.903187 1.680974
C 6.137889 0.510572 0.593964
H 0.200682 -2.147777 0.102559
H -0.277646 -0.477695 -2.448184
H -0.120281 -2.262866 -2.352273
H -2.519184 -1.984769 -2.100383
H 4.197287 -0.193331 -1.310131
H 3.914793 1.489966 -0.766788
H 1.770618 0.724429 0.210604
H 4.234800 0.729604 1.645147
H 4.551032 -0.920584 1.059902
H -4.516719 -1.169770 -0.858890
H -1.346481 1.330504 2.119503
H -5.415775 0.246651 0.993318
H -3.841791 1.530567 2.488818
H 6.579873 -0.078759 -0.230933
H 6.261096 1.582440 0.347581
H 6.725347 0.305861 1.506799


