%chk=000006454.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006454

0 1
 O  -0.7414000      -1.706000       1.400900    
 O   0.7458000       1.217300      -1.959500    
 O    3.633400      -1.751000      1.7200001E-02
 N    1.465600      -1.658500      0.7771000    
 N    2.208800     -0.1978000     -0.9011000    
 C   1.6500000E-02  0.2098000      0.1221000    
 C   -1.411600      0.3569000     -0.3819000    
 C   -1.827200     -0.8002000      -1.302300    
 C   0.2947000       1.288700       1.184100    
 C   -3.300600      -1.072300     -0.9978000    
 C   -2.433400      0.2785000      0.7103000    
 C   0.1783000      -1.143400      0.8073000    
 C   0.9901000      0.4524000      -1.026700    
 C   -3.465300     -0.4993000      0.3692000    
 C   8.7600000E-02   2.656700      0.6208000    
 C    2.518800      -1.227300     -2.0600000E-02
 C    1.039700       3.595600      0.5808000    
 H   -1.569700       1.291500     -0.9343000    
 H   -1.249600      -1.719400      -1.154400    
 H   -1.693700     -0.5315000      -2.357100    
 H    1.329100       1.191200       1.544100    
 H  -0.3188000       1.164400       2.083400    
 H   -3.514700      -2.144800      -1.016200    
 H   -3.961800     -0.5648000      -1.707500    
 H   -2.414500      0.8359000       1.635400    
 H   -4.339100     -0.6554000      0.9851000    
 H    1.636000      -2.487900       1.339000    
 H    2.927000      4.9600001E-02  -1.576100    
 H  -0.9080000       2.949100      0.3005000    
 H   0.8186000       4.586200      0.1986000    
 H    2.049500       3.396200      0.9221000    


%chk=000006454-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006454

0 1
O -0.302288 -1.218158 2.122889
O 0.973956 1.427961 -1.766175
O 3.163261 -2.519024 -0.677635
N 1.364330 -1.852398 0.659624
N 2.072897 -0.501905 -1.139276
C 0.125079 0.306986 0.246412
C -1.344929 0.302773 -0.342126
C -1.663021 -0.915252 -1.273536
C 0.345016 1.518735 1.246906
C -3.193367 -1.173535 -1.103705
C -2.486993 0.270245 0.665563
C 0.357433 -0.961804 1.082824
C 1.069573 0.471583 -0.954786
C -3.504390 -0.519461 0.235963
C 0.017678 2.896255 0.719059
C 2.265017 -1.684382 -0.406126
C 0.849436 3.961887 0.818949
H -1.397640 1.236492 -0.939034
H -1.111240 -1.810938 -0.928720
H -1.373950 -0.725343 -2.321529
H 1.393286 1.500694 1.603655
H -0.289656 1.286033 2.124191
H -3.443730 -2.250444 -1.123690
H -3.778856 -0.695616 -1.915938
H -2.494361 0.859021 1.586656
H -4.457849 -0.654156 0.756840
H 1.500014 -2.696658 1.226050
H 2.706599 -0.364223 -1.933782
H -0.979476 3.038646 0.280731
H 0.551391 4.955575 0.467758
H 1.856882 3.870809 1.244487


