%chk=000128280.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128280

0 1
 O    2.539800      0.1109000      0.1830000    
 O    1.146000       1.472000      -1.019200    
 O   -4.088800       1.161500       1.381500    
 O  -6.0699999E-02  -2.749200      0.3455000    
 N   0.4204000     -0.6420000     -0.3871000    
 N   0.8246000      -1.887100      0.3400000    
 C   -1.927100      1.6899999E-02 -3.0300001E-02
 C  -0.8835000     -0.5534000     -0.9848000    
 C   -3.308000      0.1290000     -0.6729000    
 C    1.358100      0.4021000     -0.4513000    
 C   -4.327200      0.7528000      0.2502000    
 C    3.539500       1.136200      0.1523000    
 C    4.767000      0.6503000      0.8931000    
 H   -1.992400     -0.6108000      0.8676000    
 H   -1.601800       1.006100      0.3175000    
 H  -0.8128000      0.1061000      -1.858800    
 H   -1.193000      -1.532200      -1.368600    
 H   -3.261100      0.7472000      -1.575800    
 H   -3.677500     -0.8625000     -0.9553000    
 H   -5.345500      0.8314000     -0.1682000    
 H    3.799800       1.360600     -0.8880000    
 H    3.150000       2.039800      0.6341000    
 H    5.552800       1.410800      0.8891000    
 H    4.518500      0.4037000       1.930600    
 H    5.157300     -0.2641000      0.4340000    


%chk=000128280-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128280

0 1
O 2.560229 0.068630 0.173341
O 1.097965 1.436982 -1.039959
O -4.157765 1.159867 1.432469
O -0.071985 -2.800517 0.292316
N 0.446310 -0.720460 -0.398666
N 0.844456 -1.918299 0.274490
C -1.914698 0.043649 -0.004558
C -0.899501 -0.562262 -0.998930
C -3.308370 0.155964 -0.647932
C 1.374824 0.358912 -0.460303
C -4.363164 0.765834 0.260930
C 3.581502 1.172179 0.143192
C 4.785753 0.657558 0.920565
H -1.976378 -0.581711 0.903962
H -1.573530 1.044450 0.315170
H -0.789327 0.084709 -1.884953
H -1.222691 -1.571467 -1.312621
H -3.278152 0.769380 -1.574958
H -3.686345 -0.838434 -0.971150
H -5.382227 0.848554 -0.200042
H 3.814827 1.392896 -0.913687
H 3.128248 2.070559 0.598730
H 5.575468 1.430518 0.932269
H 4.511929 0.422855 1.962911
H 5.197021 -0.254245 0.455614


