%chk=000041858.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041858

0 1
 O    4.005600      0.8739000      0.8047000    
 O  -0.6516000      -2.222300      0.9818000    
 N   0.5876000     -0.6077000     -0.1370000    
 C    2.238600      0.9418000     -0.7954000    
 C    2.860800     -0.4414000     -0.7980000    
 C   0.7408000      0.6878000     -0.7973000    
 C    1.872200      -1.276700      1.7899999E-02
 C    2.781500       1.554200      0.4889000    
 C    4.190800     -0.2070000     -0.1197000    
 C  -0.5794000      -1.157300      0.3717000    
 C   -1.828200     -0.4031000      0.1788000    
 C   -2.600400     -0.6232000     -0.9579000    
 C   -2.229500      0.5257000       1.134700    
 C   -3.784300      9.1600001E-02  -1.140300    
 C   -3.413400       1.240300      0.9524000    
 C   -4.190900       1.023200     -0.1851000    
 H    2.555800       1.541100      -1.655800    
 H    2.965500     -0.8590000      -1.804900    
 H   0.1685000       1.467800     -0.2882000    
 H   0.3606000      0.5759000      -1.818700    
 H    1.801300      -2.307900     -0.3431000    
 H    2.112500      -1.307100       1.087000    
 H    2.987000       2.622700      0.3725000    
 H    2.102300       1.433500       1.339600    
 H    4.568300      -1.085300      0.4117000    
 H    4.947200      0.1111000     -0.8454000    
 H   -2.291900      -1.346700      -1.707900    
 H   -1.630100      0.7021000       2.023900    
 H   -4.389600     -7.7200003E-02  -2.026200    
 H   -3.729700       1.966000       1.695900    
 H   -5.112700       1.579800     -0.3272000    


%chk=000041858-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041858

0 1
O 3.677052 0.931027 0.916660
O -0.402296 -1.772337 1.537154
N 0.603731 -0.670157 -0.228829
C 2.304850 0.749170 -1.114705
C 2.969467 -0.621547 -0.749922
C 0.794748 0.440255 -1.193671
C 1.879637 -1.386749 0.048760
C 2.734051 1.688112 0.056680
C 4.174858 -0.201260 0.110715
C -0.492301 -0.928790 0.582344
C -1.790042 -0.201806 0.326045
C -2.293738 0.073432 -0.971831
C -2.583765 0.123860 1.457048
C -3.559023 0.681239 -1.133622
C -3.837814 0.748423 1.296005
C -4.329342 1.031186 -0.001149
H 2.675335 1.139150 -2.078366
H 3.279296 -1.181403 -1.649272
H 0.157665 1.302231 -0.932826
H 0.533249 0.123385 -2.224189
H 1.798762 -2.447959 -0.248845
H 2.069165 -1.362880 1.137407
H 3.234214 2.600851 -0.323309
H 1.887710 1.981296 0.702887
H 4.518333 -0.970675 0.821637
H 5.026219 0.116348 -0.529297
H -1.721038 -0.216851 -1.859252
H -2.204850 -0.137890 2.450239
H -3.944920 0.873994 -2.140853
H -4.436033 1.005259 2.177166
H -5.307981 1.507687 -0.127410


