%chk=000004496.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004496

0 1
 O   0.1409000       4.438200      5.4800000E-02
 O    3.394500      -3.515500      7.3600002E-02
 O    1.385100      -3.775300      0.9186000    
 N    1.231800       2.459200     -0.5140000    
 N   -1.235300       1.752900       1.109900    
 N    2.270600      -3.057800      0.3932000    
 C   0.4601000      0.1984000      0.2381000    
 C    1.444100       1.053300     -0.3007000    
 C  -0.9370000      0.6510000      0.5087000    
 C   0.7489000      -1.156600      0.4830000    
 C    2.682400      0.4805000     -0.6530000    
 C  -0.1445000       2.606000       1.531900    
 C   0.4024000       3.254600      0.2853000    
 C   -2.072600     -0.2000000      4.9199998E-02
 C    1.992600      -1.686300      0.1537000    
 C    2.954500     -0.8709000     -0.4257000    
 C    1.976200       3.111500      -1.591200    
 C   -1.924300     -0.9898000      -1.084300    
 C   -3.266600     -0.1936000      0.7597000    
 C   -2.986300      -1.785400      -1.514200    
 C   -4.328800     -0.9893000      0.3301000    
 C   -4.188500      -1.785100     -0.8069000    
 H  -1.2200000E-02  -1.786800      0.9387000    
 H    3.481800       1.081200      -1.079900    
 H  -0.5372000       3.389700       2.189200    
 H   0.6329000       2.086200       2.102700    
 H    3.936000      -1.245400     -0.7057000    
 H    1.997100       2.472200      -2.479500    
 H    2.991800       3.326300      -1.244400    
 H    1.509000       4.060300      -1.871400    
 H   -1.015700     -0.9893000      -1.679200    
 H   -3.396300      0.4110000       1.653000    
 H   -2.880200      -2.399400      -2.403800    
 H   -5.264400     -0.9905000      0.8815000    
 H   -5.016100      -2.403400      -1.142300    


%chk=000004496-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004496

0 1
O 0.460730 4.536304 0.186217
O 3.581095 -3.493144 0.066460
O 1.470887 -3.838245 0.868506
N 1.223467 2.446428 -0.518615
N -1.252347 1.741941 1.107293
N 2.393369 -3.082395 0.371282
C 0.445355 0.171333 0.197764
C 1.468387 1.065881 -0.276559
C -0.958639 0.623560 0.472135
C 0.776638 -1.190655 0.401830
C 2.762385 0.546082 -0.581422
C -0.135342 2.591950 1.573953
C 0.522754 3.295143 0.381584
C -2.101106 -0.237550 0.033596
C 2.073947 -1.659019 0.131576
C 3.076393 -0.802464 -0.377303
C 1.925088 3.120631 -1.639872
C -1.992133 -1.124410 -1.072347
C -3.347632 -0.132352 0.709804
C -3.102159 -1.892491 -1.486574
C -4.452151 -0.903013 0.297933
C -4.333917 -1.788194 -0.801461
H 0.023416 -1.893314 0.768203
H 3.536100 1.222244 -0.954231
H -0.536973 3.377703 2.229464
H 0.637255 2.012690 2.126351
H 4.072281 -1.200652 -0.587307
H 1.982773 2.437831 -2.501706
H 2.940817 3.452431 -1.354588
H 1.344627 4.017243 -1.904862
H -1.049642 -1.200902 -1.625057
H -3.424591 0.565548 1.548901
H -3.006371 -2.567320 -2.344041
H -5.404898 -0.818049 0.831913
H -5.193162 -2.388675 -1.120123


