%chk=000025942.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025942

0 1
 O   0.8128000       1.982500      0.6913000    
 O   -1.906200      0.6079000       1.615600    
 O   7.8000002E-02   3.688500     -0.6452000    
 N   -2.698500     -0.8084000     -4.8500001E-02
 C  -0.4586000      0.2098000     -0.2089000    
 C   0.6715000      0.5520000      0.7496000    
 C  -0.5628000       1.407700      -1.128200    
 C   -1.747200      2.6400000E-02  0.5391000    
 C    1.971700     -0.1441000      0.4075000    
 C   0.1132000       2.501400     -0.3587000    
 C   -3.991200      -1.073400      0.5699000    
 C   -2.467900      -1.477800      -1.326100    
 C    2.256500      -1.396200      0.9523000    
 C    2.884400      0.4666000     -0.4524000    
 C   -5.032200     -6.1999999E-02  0.1208000    
 C   -1.827300      -2.840600      -1.124300    
 C    3.454300      -2.037700      0.6370000    
 C    4.082200     -0.1751000     -0.7677000    
 C    4.367100      -1.427300     -0.2229000    
 H  -0.2016000     -0.6951000     -0.7597000    
 H   0.4416000      0.3092000       1.794000    
 H   -1.593700       1.692400      -1.356600    
 H  -2.7000001E-03   1.243500      -2.054000    
 H   -4.311500      -2.094900      0.3391000    
 H   -3.877900      -1.002200       1.657500    
 H   -3.429600      -1.598300      -1.839000    
 H   -1.857600     -0.8633000      -1.992500    
 H    1.551400      -1.882900       1.620800    
 H    2.689300       1.436800     -0.8988000    
 H   -4.724600      0.9582000      0.3733000    
 H   -5.185700     -0.1046000     -0.9623000    
 H   -5.990800     -0.2609000      0.6094000    
 H  -0.8810000      -2.778600     -0.5791000    
 H   -2.487400      -3.502500     -0.5540000    
 H   -1.633300      -3.313500      -2.092100    
 H    3.675700      -3.013100       1.060300    
 H    4.792500      0.2990000      -1.438700    
 H    5.299400      -1.927200     -0.4689000    


%chk=000025942-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000025942

0 1
O 1.332331 2.376280 -0.355238
O -1.895905 0.706318 1.520451
O 0.583423 4.185765 -1.608417
N -2.300850 -0.883422 -0.128371
C -0.599498 0.934999 -0.516813
C 0.716051 1.179299 0.302532
C -1.003006 2.376846 -0.907290
C -1.649437 0.235994 0.357768
C 1.685902 0.018800 0.297921
C 0.332981 3.117490 -1.032569
C -3.282696 -1.556168 0.763481
C -2.114069 -1.466492 -1.480089
C 1.625190 -0.932526 1.346669
C 2.613999 -0.165881 -0.756811
C -4.715369 -1.014645 0.577287
C -0.997954 -2.532090 -1.537601
C 2.469720 -2.065137 1.332904
C 3.464032 -1.294160 -0.764802
C 3.390830 -2.250095 0.275967
H -0.334839 0.359891 -1.418871
H 0.435750 1.467811 1.332049
H -1.587872 2.842259 -0.090728
H -1.578508 2.462519 -1.841998
H -3.242699 -2.641497 0.553802
H -2.956286 -1.388780 1.803238
H -3.079226 -1.919697 -1.774042
H -1.920958 -0.662986 -2.212055
H 0.918486 -0.783663 2.172474
H 2.687726 0.591123 -1.544813
H -4.753598 0.055290 0.842735
H -5.063342 -1.132458 -0.465602
H -5.417633 -1.559399 1.234343
H -0.014608 -2.098670 -1.284033
H -1.198004 -3.351363 -0.824068
H -0.936280 -2.968088 -2.551660
H 2.417234 -2.794178 2.149132
H 4.188464 -1.423848 -1.576707
H 4.052815 -3.123241 0.268727


