%chk=000046566.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046566

1 1
 O   -2.023800      0.7563000      0.8819000    
 O   -2.473900     -0.4282000      -1.067600    
 N    2.675000     -0.3108000      0.3516000    
 N   -4.043900     -0.3033000      0.6360000    
 C    2.257200      -1.770000      0.5213000    
 C    1.478900      0.6066000      8.6099997E-02
 C    3.362800      0.1394000       1.637400    
 C    3.631800     -0.2259000     -0.8344000    
 C   0.2904000      0.2338000      0.6186000    
 C    1.709500       1.714200     -0.6588000    
 C    1.549200      -2.313300     -0.6759000    
 C  -0.7996000       1.070000      0.3768000    
 C   0.6197000       2.550300     -0.9007000    
 C  -0.6348000       2.228400     -0.3829000    
 C   0.3094000      -2.814200     -0.6462000    
 C   -2.827500     -3.8100000E-02  4.1299999E-02
 C   -5.080400      -1.095200      1.5400000E-02
 H    3.181300      -2.346300      0.6647000    
 H    1.696800      -1.884800       1.456300    
 H    2.657900      4.4700000E-02   2.469300    
 H    4.234300     -0.5019000       1.801200    
 H    3.681300       1.180100       1.521200    
 H    4.214900      0.6986000     -0.7714000    
 H    4.343100      -1.056200     -0.7591000    
 H    3.085600     -0.2965000      -1.780600    
 H   0.1279000     -0.6189000       1.262700    
 H    2.666000       2.027500      -1.054300    
 H    2.082500      -2.347800      -1.621800    
 H   0.7486000       3.456600      -1.485500    
 H   -1.479100       2.885400     -0.5732000    
 H  -0.1425000      -3.212600      -1.548200    
 H  -0.2733000      -2.845400      0.2676000    
 H   -4.221000      8.0700003E-02   1.559100    
 H   -5.962900     -0.4632000     -0.1101000    
 H   -5.322200      -1.924800      0.6840000    
 H   -4.759900      -1.481600     -0.9549000    


%chk=000046566-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046566

1 1
O -2.206618 1.095057 0.297158
O -2.123631 -1.297705 0.259361
N 2.544111 -0.372646 0.428793
N -4.074624 -0.090139 0.795520
C 2.081072 -1.873284 0.187660
C 1.479777 0.606008 -0.058480
C 2.756836 -0.175382 1.934905
C 3.884583 -0.177872 -0.271444
C 0.161064 0.394557 0.391228
C 1.806142 1.683698 -0.905018
C 1.827788 -2.208815 -1.257042
C -0.859148 1.251960 -0.075400
C 0.772280 2.561596 -1.311405
C -0.560744 2.349018 -0.914142
C 0.576186 -2.387228 -1.753628
C -2.771163 -0.238236 0.443953
C -4.972260 -1.234484 1.017456
H 2.897033 -2.479704 0.620911
H 1.174117 -2.014785 0.792916
H 1.811152 -0.363983 2.461748
H 3.529051 -0.879239 2.283284
H 3.074695 0.862590 2.113966
H 4.299542 0.805487 -0.007196
H 4.569056 -0.967187 0.074858
H 3.745703 -0.255491 -1.357958
H -0.111900 -0.432091 1.047595
H 2.820223 1.865210 -1.265898
H 2.702227 -2.379534 -1.898285
H 1.014334 3.407656 -1.961100
H -1.368909 3.005313 -1.247468
H 0.425669 -2.683427 -2.797569
H -0.324570 -2.247134 -1.141854
H -4.433465 0.862888 0.881974
H -5.805304 -1.223237 0.293388
H -5.383225 -1.212555 2.041551
H -4.397781 -2.163281 0.882560


