%chk=000036432.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036432

0 1
 O  -3.1099999E-02  -2.282200      0.8764000    
 O  -6.7599997E-02   2.346300      0.7619000    
 N   0.2814000      3.7500001E-02  0.9407000    
 C   -1.898400     -0.7632000      0.6724000    
 C   -1.910200      0.7894000      0.6348000    
 C   -2.475800      -1.144400     -0.7093000    
 C   -2.493500       1.094300     -0.7635000    
 C   -1.912400     -4.1800000E-02  -1.615500    
 C   -3.924700     -0.7076000     -0.7175000    
 C   -3.935200      0.6349000     -0.7498000    
 C  -0.4480000      -1.132500      0.8485000    
 C  -0.4655000       1.189800      0.7915000    
 C    1.712500      5.4200001E-02   1.174700    
 C    2.494500     -1.8400000E-02 -0.1314000    
 C    4.002100      7.0000002E-03  0.1206000    
 C    4.786000     -2.7200000E-02  -1.191000    
 C    6.286100     -3.5799999E-02 -0.9435000    
 H   -2.481800      -1.160200       1.510300    
 H   -2.499800       1.217600       1.452900    
 H   -2.289100      -2.160100      -1.059800    
 H   -2.322600       2.094700      -1.162700    
 H  -0.8196000     -3.4699999E-02  -1.678900    
 H   -2.315500     -6.9700003E-02  -2.636700    
 H   -4.785000      -1.354100     -0.6518000    
 H   -4.805600       1.270200     -0.7150000    
 H    1.969000      0.9732000       1.713900    
 H    1.970600     -0.8004000       1.810600    
 H    2.225300     -0.9320000     -0.6759000    
 H    2.212800      0.8237000     -0.7760000    
 H    4.267400      0.9115000      0.6815000    
 H    4.283800     -0.8524000      0.7413000    
 H    4.512500     -0.9201000      -1.765200    
 H    4.526300      0.8444000      -1.802900    
 H    6.827000     -5.9400000E-02  -1.894600    
 H    6.598500      0.8598000     -0.3970000    
 H    6.582900     -0.9146000     -0.3620000    


%chk=000036432-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036432

0 1
O -0.029526 -2.315501 1.010109
O -0.036547 2.369487 0.868103
N 0.262447 0.029109 0.994160
C -1.970446 -0.765392 0.686847
C -1.972684 0.796873 0.639176
C -2.525502 -1.170555 -0.745460
C -2.527500 1.112683 -0.815276
C -1.884011 -0.054332 -1.630275
C -3.991435 -0.712016 -0.749683
C -3.992673 0.652461 -0.792119
C -0.507546 -1.158482 0.910400
C -0.511175 1.207171 0.839117
C 1.723845 0.037984 1.189825
C 2.505677 -0.007103 -0.142436
C 4.031802 0.001433 0.094829
C 4.845591 -0.028961 -1.218925
C 6.370566 -0.020424 -0.979473
H -2.588515 -1.201436 1.488187
H -2.592726 1.279328 1.411849
H -2.327316 -2.218167 -1.012015
H -2.330737 2.142347 -1.145231
H -0.779191 -0.053225 -1.624565
H -2.246395 -0.086473 -2.669962
H -4.851206 -1.378618 -0.645190
H -4.853591 1.322787 -0.729090
H 1.971981 0.960575 1.745050
H 1.976204 -0.841653 1.809027
H 2.220361 -0.920025 -0.700634
H 2.220311 0.866141 -0.760858
H 4.310859 0.905853 0.674888
H 4.314176 -0.871999 0.718876
H 4.566036 -0.931284 -1.800034
H 4.562780 0.843467 -1.842496
H 6.928926 -0.042569 -1.933172
H 6.680579 0.886880 -0.427468
H 6.683883 -0.898663 -0.384084


