%chk=000053390.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053390

0 1
 O    5.149000       1.042800      0.4666000    
 N   3.6400001E-02 -0.6687000     -0.8475000    
 N  -0.3357000      -1.522600       1.378700    
 C   -2.088200      -1.670400     -0.3433000    
 C   -3.073300     -0.5665000     -0.1550000    
 C  -0.6772000      -1.253800      7.1099997E-02
 C   -3.750100     -0.4351000       1.057600    
 C   -3.317400      0.3349000      -1.191200    
 C    1.330600     -0.2354000     -0.5164000    
 C   -4.671300      0.5974000       1.234000    
 C   -4.238600       1.367500      -1.014700    
 C    2.412900      -1.093100     -0.6899000    
 C    1.522300       1.048800     -1.4700000E-02
 C    3.895100      0.6230000      0.1440000    
 C   -4.915500       1.498600      0.1979000    
 C    3.697900     -0.6630000     -0.3590000    
 C    2.807300       1.478900      0.3162000    
 C    6.215700      0.1167000      0.2654000    
 H   -2.389700      -2.555400      0.2308000    
 H   -2.069000      -1.988600      -1.393700    
 H   -3.568700      -1.130100       1.873200    
 H   -2.795800      0.2448000      -2.140400    
 H   -5.198100      0.6998000       2.178200    
 H   -4.428600       2.069700      -1.821100    
 H    2.267100      -2.096400      -1.081400    
 H   0.6803000       1.721900      0.1226000    
 H   -5.632500       2.302600      0.3353000    
 H    4.497300      -1.378700     -0.5175000    
 H    2.954600       2.481800      0.7077000    
 H   0.5727000      -1.276400       1.756200    
 H  -0.9845000      -1.974000       2.015100    
 H    6.329700     -0.1420000     -0.7928000    
 H    6.104400     -0.7692000      0.8997000    
 H    7.140000      0.6163000      0.5737000    


%chk=000053390-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053390

0 1
O 5.471973 1.001317 0.217892
N 0.278718 -1.121921 -0.694116
N -0.707784 -0.447296 1.402980
C -2.103230 -1.535622 -0.319433
C -3.260793 -0.566260 -0.097890
C -0.743707 -0.989647 0.123098
C -4.282266 -0.844490 0.845387
C -3.327229 0.646857 -0.833529
C 1.571106 -0.600958 -0.392168
C -5.346412 0.065715 1.051979
C -4.386786 1.556665 -0.630598
C 2.703224 -1.445285 -0.531464
C 1.797154 0.773114 -0.066959
C 4.215319 0.402479 0.001516
C -5.400813 1.269950 0.315145
C 4.014255 -0.960743 -0.329345
C 3.100170 1.268168 0.120808
C 6.651364 0.148020 0.078952
H -2.297636 -2.479438 0.226511
H -1.991525 -1.789158 -1.386626
H -4.252737 -1.784781 1.411042
H -2.543485 0.871147 -1.567520
H -6.130648 -0.168014 1.780986
H -4.426049 2.486726 -1.209064
H 2.538382 -2.490722 -0.811841
H 0.946243 1.462130 -0.006340
H -6.224630 1.975318 0.471378
H 4.859763 -1.646416 -0.442920
H 3.278272 2.323123 0.352801
H 0.166603 -0.094372 1.789079
H -1.569667 -0.315725 1.928196
H 6.735104 -0.263462 -0.946448
H 6.637318 -0.685341 0.809301
H 7.509530 0.805023 0.284610


