%chk=000003052.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003052

0 1
 O  -0.8974000     -0.2528000      -1.987900    
 N   0.3616000     -0.5880000     -8.9100003E-02
 N    3.118500      1.4000000E-02  0.3943000    
 N   -1.928100      0.1013000      4.0899999E-02
 C   0.7768000     -5.2499998E-02   1.212500    
 C    1.419000      -1.299300     -0.8050000    
 C    2.058200      0.7776000       1.069500    
 C    2.669900     -0.4323000     -0.9337000    
 C  -0.8241000     -0.2454000     -0.7523000    
 C    4.336800      0.8146000      0.2825000    
 C   -2.907700       1.043800     -0.4811000    
 C   -2.330500     -0.6189000       1.247200    
 C   -2.547600       2.471700     -0.1265000    
 C   -3.305400      -1.733600      0.9287000    
 H   0.9411000     -0.9023000       1.885000    
 H   3.1999999E-03  0.5914000       1.639000    
 H    1.074800      -1.613900      -1.795500    
 H    1.641000      -2.209400     -0.2340000    
 H    1.833900       1.696400      0.5107000    
 H    2.390100       1.074700       2.071500    
 H    3.456200      -1.026200      -1.414600    
 H    2.459200      0.4286000      -1.581900    
 H    5.139900      0.2298000     -0.1794000    
 H    4.695000       1.110200       1.274900    
 H    4.184100       1.721700     -0.3135000    
 H   -3.904600      0.8085000     -9.4800003E-02
 H   -2.956500      0.9537000      -1.571800    
 H   -2.759500      9.3099996E-02   1.960200    
 H   -1.465900      -1.087900       1.720000    
 H   -1.568300       2.744100     -0.5341000    
 H   -2.504900       2.607600      0.9592000    
 H   -3.291000       3.166000     -0.5299000    
 H   -2.871900      -2.442400      0.2150000    
 H   -4.235200      -1.353700      0.4948000    
 H   -3.562700      -2.283800       1.839500    


%chk=000003052-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003052

0 1
O -0.720604 -0.081706 -1.970423
N 0.339603 -0.669746 0.039209
N 3.147001 -0.030807 0.345583
N -1.848453 0.284632 0.067934
C 0.839693 -0.054241 1.290462
C 1.380246 -1.421413 -0.698018
C 2.110466 0.783731 1.018848
C 2.636389 -0.562685 -0.943460
C -0.742816 -0.146737 -0.696369
C 4.419865 0.698906 0.189488
C -2.851009 1.145250 -0.604775
C -2.331069 -0.483120 1.244313
C -2.949659 2.541519 0.044915
C -3.144592 -1.739677 0.852659
H 1.083366 -0.849866 2.022489
H 0.064596 0.604526 1.712700
H 0.953102 -1.746540 -1.659620
H 1.661118 -2.306247 -0.094111
H 1.825182 1.680004 0.406494
H 2.514613 1.148090 1.982768
H 3.424175 -1.187497 -1.404693
H 2.380525 0.257709 -1.660221
H 5.176281 0.031213 -0.260583
H 4.790878 1.017675 1.180485
H 4.333291 1.608386 -0.457708
H -3.841027 0.646759 -0.584381
H -2.553084 1.225712 -1.663364
H -2.950998 0.195333 1.861373
H -1.478701 -0.795610 1.867391
H -1.984407 3.072177 -0.033231
H -3.219721 2.475616 1.115558
H -3.722370 3.148887 -0.462600
H -2.513936 -2.441792 0.279278
H -4.022178 -1.481850 0.233269
H -3.507767 -2.260188 1.758640


