%chk=000056218.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056218

0 1
 O   -2.850900      -1.045700      0.9646000    
 N   -1.022800       1.022400      0.6349000    
 N   -2.189800      0.9175000     -9.7400002E-02
 C   0.1323000       1.043900     -0.2683000    
 C   0.2436000     -0.2659000      -1.061800    
 C    1.371300       1.480600      0.5275000    
 C   0.4917000      -1.555600     -0.2803000    
 C    2.694900       1.378100     -0.2344000    
 C    1.795500      -1.662200      0.5098000    
 C    3.561700      0.1797000      0.1593000    
 C    3.047300      -1.205200     -0.2401000    
 C   -3.033800     -0.1507000      0.1426000    
 C   -4.241100     -0.1368000     -0.7563000    
 H  -3.3599999E-02   1.837900      -1.012400    
 H    1.020000     -0.1556000      -1.827400    
 H  -0.6712000     -0.4133000      -1.652000    
 H    1.437200      0.9614000       1.489800    
 H    1.226700       2.538000      0.7938000    
 H   0.4752000      -2.380100      -1.006000    
 H  -0.3432000      -1.750200      0.4013000    
 H    3.280000       2.276300      5.9000002E-03
 H    2.544200       1.409500      -1.318700    
 H    1.922100      -2.724000      0.7619000    
 H    1.704700      -1.157000       1.476100    
 H    3.746100      0.2022000       1.240900    
 H    4.543200      0.3145000     -0.3139000    
 H    3.849700      -1.915400      1.8000000E-03
 H    2.915800      -1.271400      -1.325600    
 H   -1.076000       1.903100       1.145900    
 H   -2.400100       1.637200     -0.7824000    
 H   -5.030300     -0.7548000     -0.3192000    
 H   -4.623300      0.8810000     -0.8754000    
 H   -3.966400     -0.5384000      -1.735400    


%chk=000056218-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056218

0 1
O -2.848563 -1.215257 0.755172
N -1.021014 0.979752 0.570415
N -2.282311 0.918606 -0.052001
C 0.153128 1.048287 -0.343808
C 0.319271 -0.278423 -1.121074
C 1.364612 1.501874 0.513871
C 0.529931 -1.571125 -0.299946
C 2.744179 1.424570 -0.199794
C 1.851273 -1.699358 0.508941
C 3.631978 0.211444 0.186763
C 3.143817 -1.208756 -0.206990
C -3.118130 -0.198742 0.060347
C -4.419138 -0.069540 -0.736796
H -0.006954 1.844960 -1.119682
H 1.143919 -0.142860 -1.848469
H -0.595751 -0.415556 -1.733259
H 1.388930 0.904853 1.444147
H 1.173819 2.550967 0.823767
H 0.489188 -2.414206 -1.020637
H -0.332155 -1.696420 0.381490
H 3.319917 2.339196 0.045348
H 2.602286 1.447425 -1.299372
H 1.967798 -2.771180 0.765499
H 1.756491 -1.178504 1.481099
H 3.786857 0.231946 1.286356
H 4.632556 0.369336 -0.267295
H 3.970880 -1.907210 0.032663
H 3.012279 -1.268356 -1.306951
H -1.002839 1.677016 1.326884
H -2.565990 1.674929 -0.691797
H -5.272855 -0.151162 -0.042489
H -4.508329 0.876527 -1.299692
H -4.488381 -0.914033 -1.443610


