%chk=000052168.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052168

0 1
 O  -0.4539000       1.053400       1.732200    
 O   -3.402900      -1.054200      -1.147600    
 O   0.6506000      -2.989700     -0.2716000    
 N   0.2441000     -0.8743000      0.6294000    
 N   -1.337500      -1.968200     -0.7463000    
 C   -1.685800      0.3920000     -0.2356000    
 C   -1.049900       1.102800      -1.444100    
 C   -2.826000       1.263100      0.3151000    
 C  -0.5971000      0.2330000      0.8240000    
 C   -2.252500     -0.9286000     -0.7304000    
 C   -2.091200       1.321600      -2.534600    
 C  -0.4282000       2.424600      -1.011000    
 C  -7.9499997E-02  -2.002700     -0.1488000    
 C    1.473400     -0.9360000       1.411200    
 C   -3.467000      0.6116000       1.495000    
 C    2.622400     -0.2688000      0.7031000    
 C   -4.763700      0.2875000       1.549700    
 C    3.427000      -1.014700     -0.1470000    
 C    2.860700       1.082800      0.9099000    
 C    4.491500     -0.3967000     -0.8032000    
 C    3.925100       1.700800      0.2534000    
 C    4.740400      0.9609000     -0.6031000    
 H  -0.2489000      0.4822000      -1.868300    
 H   -3.602200       1.458200     -0.4316000    
 H   -2.475200       2.240100      0.6637000    
 H   -2.543600      0.3981000      -2.902200    
 H   -1.597400       1.768600      -3.407400    
 H   -2.880000       2.025800      -2.258100    
 H   0.3590000       2.313600     -0.2631000    
 H   5.6699999E-02   2.890600      -1.878400    
 H   -1.157900       3.155900     -0.6540000    
 H   -1.640100      -2.826600      -1.198400    
 H    1.731300      -1.978900       1.633600    
 H    1.318100     -0.4599000       2.387600    
 H   -2.865400      0.4165000       2.378300    
 H   -5.177800     -0.1693000       2.442000    
 H   -5.432100      0.4673000      0.7151000    
 H    3.247300      -2.073400     -0.3088000    
 H    2.237600       1.669700       1.578000    
 H    5.127000     -0.9728000      -1.469400    
 H    4.119700       2.757800      0.4099000    
 H    5.569400       1.442000      -1.113900    


%chk=000052168-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052168

0 1
O -0.438071 1.160445 1.624144
O -3.420205 -1.126370 -1.314673
O 0.655504 -3.003813 -0.174892
N 0.193053 -0.853402 0.653974
N -1.348440 -1.985893 -0.768229
C -1.781108 0.417077 -0.289585
C -1.125065 1.152722 -1.572525
C -2.973775 1.229880 0.303799
C -0.660600 0.276211 0.754945
C -2.286219 -0.937975 -0.804505
C -2.191951 1.513493 -2.633550
C -0.301741 2.406775 -1.192347
C -0.105019 -2.001957 -0.110637
C 1.441897 -0.885130 1.487077
C -3.507366 0.662408 1.606659
C 2.633243 -0.248179 0.781768
C -4.701745 0.031921 1.732926
C 3.402617 -0.999860 -0.143909
C 2.991262 1.097498 1.049608
C 4.508942 -0.411166 -0.795406
C 4.099742 1.685484 0.398759
C 4.860251 0.932773 -0.526033
H -0.426338 0.415327 -2.021065
H -3.777385 1.239420 -0.450535
H -2.631419 2.267372 0.469554
H -2.863416 0.670596 -2.868129
H -1.682698 1.818876 -3.565664
H -2.812543 2.364876 -2.300871
H 0.587605 2.168251 -0.585788
H 0.044849 2.896692 -2.120506
H -0.908898 3.139785 -0.631967
H -1.613426 -2.866804 -1.221100
H 1.637648 -1.946245 1.708217
H 1.201152 -0.346908 2.417376
H -2.865843 0.798689 2.488551
H -5.046820 -0.350999 2.700434
H -5.360652 -0.125860 0.870420
H 3.126985 -2.041171 -0.347912
H 2.398281 1.678927 1.765351
H 5.099894 -0.999840 -1.506050
H 4.371728 2.724644 0.615261
H 5.721591 1.387132 -1.028645


