%chk=000040122.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040122

0 1
 O   -1.002800      -2.066900     -0.2330000    
 O    4.419000      -1.638800      0.2647000    
 O  -0.3023000       2.203000     -0.4204000    
 O  -0.4713000       1.834100       1.845500    
 N    3.996700      0.9779000     -9.4200000E-02
 C   0.8390000     -0.8360000      0.2097000    
 C    2.227100     -0.6651000      0.3524000    
 C  -0.3054000     -5.2000000E-03  0.3374000    
 C   0.3567000      -2.092400     -0.1421000    
 C    2.834100      0.6502000      0.7293000    
 C   -1.393800     -0.7990000      5.8899999E-02
 C    3.066000      -1.766600      0.1341000    
 C    1.165200      -3.205400     -0.3659000    
 C    2.542100      -3.012800     -0.2186000    
 C   -2.813100     -0.5775000      1.2800000E-02
 C  -0.3687000       1.386100      0.6841000    
 C    4.559300       2.267700      0.3051000    
 C    3.632000      0.9964000      -1.510400    
 C   -3.401500      0.3850000      0.8379000    
 C   -3.613200      -1.323100     -0.8575000    
 C   -4.778800      0.6004000      0.7929000    
 C   -4.990500      -1.107600     -0.9025000    
 C   -5.573400     -0.1458000     -7.7299997E-02
 C  -0.3549000       3.617100     -0.2037000    
 C  -0.2675000       4.324300      -1.539400    
 H    2.109900       1.464500      0.6691000    
 H    3.137100      0.5790000       1.782400    
 H   0.7513000      -4.168600     -0.6391000    
 H    3.204900      -3.859300     -0.3851000    
 H    4.859300       2.247000       1.358800    
 H    3.850500       3.092000      0.1641000    
 H    5.463600       2.488300     -0.2728000    
 H    3.348800      1.4200000E-02  -1.900000    
 H    4.493200       1.306000      -2.115000    
 H    2.814700       1.698600      -1.716000    
 H   -2.827900      0.9649000       1.552000    
 H   -3.186000      -2.073800      -1.518300    
 H    4.840000      -2.494800      7.5499997E-02
 H   -5.234100       1.344000       1.440600    
 H   -5.609400      -1.687400      -1.581000    
 H   -6.646100      2.1000000E-02 -0.1113000    
 H   -1.297100       3.872900      0.2928000    
 H   0.4850000       3.917300      0.4323000    
 H  -0.3044000       5.409500      -1.410800    
 H   0.6622000       4.060200      -2.054200    
 H   -1.090800       4.016900      -2.192500    


%chk=000040122-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040122

0 1
O -0.872243 -2.079212 -0.298401
O 4.579718 -2.034981 0.768654
O -0.655805 2.166692 -0.458325
O 0.550150 2.014746 1.527076
N 3.925735 0.982466 -0.275739
C 1.080218 -0.955131 0.312715
C 2.482997 -0.874730 0.562381
C -0.040657 -0.006281 0.278762
C 0.512407 -2.210465 -0.063806
C 3.245210 0.391650 0.916350
C -1.191415 -0.717744 -0.078896
C 3.206000 -2.095048 0.461134
C 1.226708 -3.404194 -0.184336
C 2.605500 -3.332741 0.096700
C -2.614871 -0.392510 -0.211094
C -0.001224 1.450367 0.547862
C 5.028982 1.881038 0.110882
C 3.002336 1.608064 -1.238346
C -3.209281 0.670135 0.524193
C -3.436358 -1.179881 -1.066381
C -4.583100 0.951724 0.386769
C -4.810329 -0.894965 -1.199735
C -5.389917 0.175186 -0.478722
C -0.731241 3.647434 -0.263214
C -1.481299 4.206116 -1.467614
H 2.578260 1.121541 1.423025
H 4.044623 0.116431 1.626027
H 0.740270 -4.338015 -0.475808
H 3.219783 -4.239773 0.033648
H 5.752034 1.329362 0.737508
H 4.693202 2.786439 0.679874
H 5.556708 2.229141 -0.796083
H 2.237215 0.880276 -1.558342
H 3.565801 1.922178 -2.136131
H 2.475958 2.510728 -0.830363
H -2.605272 1.255550 1.224225
H -2.986647 -2.007958 -1.622578
H 5.003551 -2.919039 0.640731
H -5.029056 1.767374 0.966463
H -5.428856 -1.506514 -1.865683
H -6.458233 0.395276 -0.581218
H -1.249843 3.848323 0.692729
H 0.299693 4.037455 -0.181038
H -1.574326 5.303738 -1.375628
H -0.944471 3.979278 -2.404398
H -2.493916 3.772876 -1.534525


