%chk=000042547.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042547

0 1
 O   0.9300000      -2.040100      0.2826000    
 O   -1.778500      -1.717400      0.9342000    
 O   -5.096400       1.693000     -0.7710000    
 N  -0.5323000     -0.4280000     -0.5579000    
 N   -6.322000      0.4176000      0.7002000    
 C    1.748600     -0.4265000      -1.327000    
 C    2.928500      0.1110000     -0.5610000    
 C    2.903400       1.418800     -9.7300000E-02
 C    4.023800     -0.7092000     -0.3294000    
 C   0.7013000      -1.074100     -0.4407000    
 C    3.996100       1.916800      0.6125000    
 C    5.116400     -0.2111000      0.3805000    
 C    5.102400       1.101800      0.8514000    
 C   -1.685100     -0.7915000      0.1349000    
 C   -2.835900      9.1799997E-02 -0.2066000    
 C   -4.026600     -0.1169000      0.3690000    
 C   -5.173900      0.7641000      2.5599999E-02
 H    2.081700      -1.188400      -2.044000    
 H    1.320000      0.3741000      -1.942000    
 H    2.045400       2.060500     -0.2765000    
 H    4.044000      -1.733700     -0.6901000    
 H    3.985100       2.938800      0.9798000    
 H    5.977800     -0.8458000      0.5671000    
 H    5.953100       1.489300       1.404400    
 H  -0.5919000      0.3652000      -1.191500    
 H   -2.676800      0.8910000     -0.9227000    
 H   -4.189600     -0.9152000       1.085300    
 H   -6.365500     -0.3559000       1.356300    
 H   -7.182200      0.9372000      0.5595000    


%chk=000042547-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042547

0 1
O 0.515490 -2.633340 -2.491559
O -2.110207 -1.970012 -1.394674
O -3.290216 1.870760 1.857537
N -0.045926 -0.866080 -1.029944
N -5.330384 0.807646 1.505602
C 2.298043 -1.080858 -1.848708
C 2.675566 -0.085089 -0.765291
C 2.618576 1.313469 -1.007246
C 3.066825 -0.535111 0.524483
C 0.843659 -1.624609 -1.825849
C 2.942468 2.239235 0.011575
C 3.391323 0.387218 1.543885
C 3.328303 1.778075 1.291209
C -1.441064 -1.057769 -0.844317
C -2.037392 -0.043743 0.083379
C -3.364469 -0.062130 0.374881
C -3.965885 0.951267 1.300919
H 2.943757 -1.976166 -1.818271
H 2.434288 -0.636893 -2.853598
H 2.331001 1.678095 -2.001379
H 3.120322 -1.612067 0.725814
H 2.896898 3.314284 -0.194081
H 3.694457 0.023406 2.531805
H 3.579954 2.493434 2.081597
H 0.384902 -0.087442 -0.518122
H -1.409287 0.732087 0.542924
H -3.995556 -0.836706 -0.082473
H -5.873409 0.070067 1.059664
H -5.801136 1.466170 2.125837


