%chk=000055906.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055906

0 1
 O   -1.146200      0.7725000     -0.5218000    
 O   -3.374000      -2.530600      0.4239000    
 O   -1.090800      0.8972000       1.805600    
 O   -1.566600      -1.913600     -0.8613000    
 N    5.096400      0.5490000      0.1130000    
 N    6.982000     -0.6042000     -0.6425000    
 N    4.953300      -1.590400     -0.9885000    
 C   -2.540400      0.8353000     -0.4483000    
 C   0.9370000      0.7477000      0.5601000    
 C   -3.270300     -0.3280000     -0.3433000    
 C    1.718100      0.1591000       1.554600    
 C    1.541400       1.270200     -0.5833000    
 C   -3.131900       2.079800     -0.4846000    
 C  -0.5073000      0.8173000      0.7154000    
 C   -4.660800     -0.2437000     -0.2714000    
 C    3.707700      0.6159000      0.2625000    
 C    3.103400      9.3199998E-02   1.405800    
 C    2.926700       1.204400     -0.7321000    
 C   -4.522300       2.164000     -0.4128000    
 C   -5.286900       1.002200     -0.3062000    
 C   -2.637100      -1.638900     -0.3054000    
 C    5.621200     -0.4994000     -0.4757000    
 C   -2.852500      -3.859100      0.5364000    
 H    1.262900     -0.2557000       2.450300    
 H   0.9604000       1.746300      -1.368800    
 H   -2.537500       2.984200     -0.5687000    
 H   -5.285800      -1.130200     -0.2019000    
 H    3.703400     -0.3679000       2.186100    
 H    3.388900       1.617100      -1.625100    
 H   -5.009700       3.134100     -0.4408000    
 H   -6.369700       1.068100     -0.2535000    
 H   -1.877000      -3.840500       1.031300    
 H   -2.775200      -4.318600     -0.4534000    
 H   -3.545200      -4.446500       1.144700    
 H    7.607300      0.1241000     -0.3150000    
 H    7.400200      -1.409200      -1.095700    
 H    5.457700      -2.353400      -1.427000    
 H    3.943600      -1.672900     -0.9481000    


%chk=000055906-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055906

0 1
O -1.176167 0.953425 -0.276174
O -3.730052 -2.533209 0.350362
O -1.109193 0.316756 1.986197
O -1.551734 -1.870477 -0.114724
N 5.195815 0.236597 0.291536
N 7.255120 -0.303935 -0.648467
N 5.329032 -1.215471 -1.646793
C -2.589140 0.952935 -0.311129
C 0.961632 0.469215 0.701161
C -3.378530 -0.225164 -0.165005
C 1.801798 0.194512 1.817689
C 1.554235 0.674475 -0.572832
C -3.195363 2.200770 -0.567065
C -0.493668 0.533403 0.921680
C -4.792091 -0.097966 -0.259803
C 3.799391 0.286566 0.381280
C 3.191764 0.113940 1.664088
C 2.946742 0.583595 -0.733798
C -4.597344 2.299951 -0.674002
C -5.400429 1.146103 -0.511061
C -2.762648 -1.570354 0.019674
C 5.866552 -0.396953 -0.651425
C -3.205391 -3.901353 0.554371
H 1.336096 0.044316 2.797538
H 0.910442 0.902437 -1.426663
H -2.550306 3.078358 -0.669780
H -5.397080 -0.999800 -0.138042
H 3.845049 -0.086312 2.518802
H 3.395218 0.793651 -1.712541
H -5.059344 3.272952 -0.873138
H -6.490570 1.217137 -0.582498
H -2.456471 -3.904617 1.364036
H -2.735826 -4.275795 -0.371215
H -4.085714 -4.501576 0.824453
H 7.664736 0.262541 0.090507
H 7.807473 -0.522708 -1.473115
H 5.903115 -1.919255 -2.106248
H 4.317249 -1.329792 -1.683357


