%chk=000039270.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039270

0 1
 O   -2.045000     -0.5239000       2.178000    
 O   0.7960000     -0.3732000       1.427600    
 N    3.201700      0.2658000     -0.4158000    
 N  -0.1422000       1.481000      0.3089000    
 C   -1.596800     -0.3120000      0.8539000    
 C    2.231400      0.6756000      -1.430500    
 C    4.371700       1.154800     -0.4344000    
 C    3.596000      -1.135400     -0.6182000    
 C    1.721100       2.099800      -1.192300    
 C    5.374800      0.7700000      0.6541000    
 C    4.573800      -1.595200      0.4642000    
 C    1.032500       2.306100      0.1555000    
 C    5.798100     -0.6889000      0.5272000    
 C   -2.322200      0.8164000      0.1699000    
 C   -1.422600       1.840000     -0.1331000    
 C  -0.1468000      0.2175000      0.9197000    
 C   -1.654200      -1.599600      0.1063000    
 C   -3.664500      0.9358000     -0.1506000    
 C   -1.826300       3.001200     -0.7692000    
 C   -4.089300       2.101400     -0.7931000    
 C   -3.177300       3.124900      -1.100900    
 C   -1.131400      -1.682100      -1.185200    
 C   -2.231400      -2.725200      0.6960000    
 C   -2.013200      0.6749000       2.945500    
 C   -1.185600      -2.887500      -1.885200    
 C   -2.285500      -3.930500     -4.0000002E-03
 C   -1.762600      -4.011600      -1.294600    
 H    2.675400      0.6257000      -2.433700    
 H    1.384800     -1.5200000E-02  -1.438600    
 H    4.098000       2.192200     -0.2228000    
 H    4.865300       1.135500      -1.415000    
 H    4.051000      -1.274500      -1.607800    
 H    2.710500      -1.781200     -0.5732000    
 H    2.512100       2.845000      -1.323800    
 H   0.9984000       2.320300      -1.989600    
 H    6.257400       1.416700      0.5909000    
 H    4.926800      0.9356000       1.642300    
 H    4.068700      -1.595500       1.438600    
 H    4.887000      -2.626500      0.2664000    
 H    1.725900       2.072800      0.9715000    
 H   0.7539000       3.358200      0.2811000    
 H    6.432700     -0.9720000       1.374200    
 H    6.396800     -0.8187000     -0.3827000    
 H   -4.372100      0.1488000      8.6599998E-02
 H   -1.134400       3.799100      -1.012300    
 H   -5.136600       2.219400      -1.057800    
 H   -3.529300       4.023100      -1.601400    
 H  -0.6967000     -0.8184000      -1.677800    
 H   -2.656900      -2.707900       1.695000    
 H   -2.328400      0.4062000       3.959500    
 H   -1.010400       1.100700       3.039500    
 H   -2.729400       1.422200       2.593000    
 H  -0.7830000      -2.949400      -2.892000    
 H   -2.736300      -4.805700      0.4547000    
 H   -1.806200      -4.949600      -1.840200    


%chk=000039270-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039270

0 1
O -2.514184 -0.684184 2.072902
O 0.522169 -0.552682 1.570645
N 3.501351 0.403168 -0.430881
N -0.224619 1.358361 0.383707
C -1.888722 -0.344152 0.784642
C 2.352610 0.646198 -1.336295
C 4.775870 0.941756 -0.964640
C 3.634115 -1.012046 0.006300
C 1.712725 2.031053 -1.077075
C 5.899342 0.863007 0.089917
C 4.723582 -1.147805 1.089273
C 1.049976 2.095798 0.319894
C 6.075862 -0.589739 0.589321
C -2.488981 0.884290 0.114820
C -1.467805 1.842615 -0.114123
C -0.377892 0.098314 0.982863
C -1.921472 -1.625306 -0.055396
C -3.812057 1.156027 -0.256840
C -1.739817 3.079500 -0.728440
C -4.110723 2.402040 -0.869942
C -3.081908 3.345302 -1.103277
C -2.086710 -1.586847 -1.461786
C -1.709941 -2.871102 0.586907
C -2.403504 0.360085 3.101920
C -2.053857 -2.781354 -2.216411
C -1.685478 -4.063105 -0.168419
C -1.855807 -4.023695 -1.572514
H 2.647250 0.567284 -2.411264
H 1.593184 -0.138455 -1.160711
H 4.619302 1.993274 -1.272321
H 5.095245 0.375993 -1.881601
H 3.891095 -1.681904 -0.856991
H 2.660019 -1.335251 0.413343
H 2.494487 2.813655 -1.126757
H 0.972282 2.261479 -1.868619
H 6.842697 1.245175 -0.346745
H 5.633341 1.517012 0.943137
H 4.398199 -0.586651 1.986435
H 4.821701 -2.212069 1.377782
H 1.739665 1.631203 1.047765
H 0.863114 3.142690 0.625312
H 6.836192 -0.633663 1.392337
H 6.448526 -1.221209 -0.244276
H -4.597135 0.414963 -0.072736
H -0.953026 3.817479 -0.912535
H -5.139132 2.633293 -1.166232
H -3.322794 4.301130 -1.582148
H -2.250180 -0.629348 -1.968171
H -1.577456 -2.890089 1.671458
H -2.952077 -0.035552 3.970519
H -1.346337 0.534653 3.382530
H -2.867408 1.310378 2.770973
H -2.186728 -2.741140 -3.303509
H -1.529314 -5.022493 0.337661
H -1.833638 -4.950336 -2.157408


