%chk=000053463.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053463

0 1
 O   0.7094000      0.6427000     -0.6785000    
 O    1.168200      0.4155000       1.582300    
 O    4.484100     -7.2400004E-02  -1.569400    
 N    2.891600      0.1558000      4.9100000E-02
 N    3.284400      0.1604000      -1.386200    
 C   -1.531200     -0.1533000     -0.2533000    
 C   -2.871400      0.1517000      8.3700001E-02
 C  -0.5948000      0.8884000     -0.3551000    
 C   -3.235700       1.489100      0.3091000    
 C   -1.166900      -1.490900     -0.4783000    
 C   -3.807900     -0.8898000      0.1859000    
 C  -0.9742000       2.211800     -0.1283000    
 C   -2.292200       2.511500      0.2034000    
 C   -2.110600      -2.513000     -0.3728000    
 C   -3.428600      -2.213100     -4.1499998E-02
 C    3.901000     -0.1085000       1.062700    
 C    1.568500      0.4026000      0.4189000    
 C    4.006200      -1.588400       1.368400    
 H   -4.260300       1.746600      0.5695000    
 H  -0.1473000      -1.762200     -0.7425000    
 H   -4.843600     -0.6787000      0.4437000    
 H  -0.2461000       3.014500     -0.2094000    
 H   -2.587000       3.541700      0.3800000    
 H   -1.816300      -3.543400     -0.5502000    
 H   -4.162800      -3.009400      4.0399998E-02
 H    4.869400      0.2991000      0.7532000    
 H    3.622700      0.4205000       1.981800    
 H    3.049100      -1.989400       1.718300    
 H    4.299700      -2.156700      0.4798000    
 H    4.754400      -1.764500       2.147400    


%chk=000053463-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053463

0 1
O 0.616795 -0.078002 0.079237
O 1.999306 1.561248 1.071471
O 3.633802 -2.300543 -0.810260
N 2.896168 -0.373316 0.103212
N 2.595512 -1.613278 -0.555891
C -1.729878 -0.350188 -0.194264
C -3.091299 0.118886 -0.044344
C -0.675684 0.498190 0.292332
C -3.334233 1.391098 0.572920
C -1.480643 -1.619867 -0.810853
C -4.160289 -0.709622 -0.521221
C -0.916994 1.735174 0.891437
C -2.272322 2.173621 1.026207
C -2.547823 -2.399997 -1.263501
C -3.896429 -1.943929 -1.118617
C 4.286407 0.023538 0.441886
C 1.815449 0.476933 0.474178
C 4.703385 -0.451493 1.849035
H -4.367448 1.739445 0.682903
H -0.447191 -1.960878 -0.918523
H -5.191685 -0.355377 -0.408175
H -0.094155 2.353783 1.250476
H -2.462659 3.144026 1.496345
H -2.352939 -3.369765 -1.734007
H -4.720909 -2.568588 -1.479282
H 4.934064 -0.430761 -0.327895
H 4.338653 1.121195 0.367809
H 4.057480 -0.003101 2.623002
H 4.653205 -1.550691 1.929518
H 5.744153 -0.139541 2.046964


