%chk=000047663.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047663

0 1
 O    2.898000     -0.4585000       1.152700    
 N   0.8355000     -0.1105000      0.2373000    
 N    2.840500      0.4390000     -0.9453000    
 C  -0.1070000      0.2875000     -0.8097000    
 C   -1.527900      0.1356000     -0.3824000    
 C    4.245200     -0.4865000      0.7092000    
 C    4.244200      0.3760000     -0.5283000    
 C    2.184700     -1.1400000E-02  7.9099998E-02
 C   -2.199400      -1.066300     -0.6064000    
 C   -2.185400       1.196100      0.2413000    
 C   -3.528300      -1.208000     -0.2064000    
 C   -3.514300       1.054500      0.6411000    
 C   -4.185800     -0.1477000      0.4176000    
 H   7.6499999E-02 -0.3126000      -1.710000    
 H   8.2999997E-02   1.330200      -1.094500    
 H    4.522800      -1.522800      0.4898000    
 H    4.910400     -9.7099997E-02   1.485100    
 H    4.601900       1.387600     -0.3068000    
 H    4.879000     -4.5699999E-02  -1.313300    
 H   0.4599000     -0.4925000       1.100700    
 H   -1.697800      -1.900600      -1.089700    
 H   -1.672900       2.137200      0.4234000    
 H   -4.050900      -2.144100     -0.3802000    
 H   -4.026100       1.879900       1.127200    
 H   -5.220300     -0.2581000      0.7293000    


%chk=000047663-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047663

0 1
O 2.945587 -0.522114 1.204423
N 0.886782 -0.806814 0.130496
N 2.646283 0.478497 -0.902743
C -0.091258 -0.659290 -0.955870
C -1.489118 -0.318029 -0.448490
C 4.258653 0.133841 0.904513
C 4.017955 0.875588 -0.459842
C 2.138733 -0.253917 0.058176
C -2.625355 -0.959083 -1.000236
C -1.677477 0.666824 0.554964
C -3.927695 -0.618339 -0.567020
C -2.976355 1.006042 0.992601
C -4.107062 0.365694 0.431637
H -0.134431 -1.579718 -1.573819
H 0.298478 0.144552 -1.608396
H 5.019329 -0.662731 0.839515
H 4.489172 0.809697 1.743856
H 4.071125 1.974288 -0.343489
H 4.761178 0.579637 -1.221762
H 0.674816 -1.403594 0.928874
H -2.491411 -1.728052 -1.771703
H -0.801146 1.162130 0.989056
H -4.797508 -1.122718 -1.002901
H -3.108799 1.769905 1.767344
H -5.114974 0.628902 0.771613


