%chk=000042013.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042013

0 1
 O   -1.598200      0.1714000     -0.9156000    
 O    2.688100       2.037100     -0.2383000    
 O    3.319000     -6.7699999E-02  0.3959000    
 O   -2.138200      0.6260000       1.299800    
 N    1.124900      0.4172000     -0.2745000    
 N   -2.903400       1.988400     -0.4150000    
 C   0.4618000     -0.8077000     -0.1692000    
 C  -0.8913000     -0.9141000     -0.4912000    
 C    1.166300      -1.931400      0.2630000    
 C   -1.539700      -2.144300     -0.3809000    
 C   0.5177000      -3.161400      0.3733000    
 C  -0.8352000      -3.267900      5.1399998E-02
 C    2.457600      0.7084000      7.9999998E-04
 C   -2.214300      0.9140000      0.1090000    
 C   -3.638500       2.935300      0.3906000    
 C    4.023500       2.496500      8.9999998E-04
 H    2.213400      -1.931600      0.5307000    
 H   -2.593400      -2.235200     -0.6306000    
 H    1.065100      -4.037200      0.7098000    
 H   -1.340100      -4.225700      0.1372000    
 H   0.5598000       1.199100     -0.5970000    
 H   -2.892000       2.121400      -1.421600    
 H   -3.214300       3.928000      0.2219000    
 H   -3.583000       2.683800       1.452300    
 H   -4.680300       2.926900      6.1099999E-02
 H    4.727000       1.971400     -0.6521000    
 H    4.289900       2.354000       1.052500    
 H    4.061300       3.564600     -0.2291000    


%chk=000042013-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042013

0 1
O -1.308044 0.524448 -0.280096
O 2.906409 2.046423 -0.180999
O 3.620857 -0.188086 0.044790
O -3.283489 0.211521 1.027980
N 1.333131 0.432036 -0.094099
N -2.881653 2.148945 -0.245622
C 0.660990 -0.810599 -0.003136
C -0.762714 -0.777866 -0.062184
C 1.311453 -2.062040 0.132765
C -1.530168 -1.952651 0.014008
C 0.541915 -3.242773 0.214292
C -0.868865 -3.194089 0.157459
C 2.695900 0.655229 -0.063946
C -2.589861 0.903533 0.252270
C -4.114969 2.857612 0.109799
C 4.324769 2.455897 -0.162395
H 2.402333 -2.088735 0.173916
H -2.619880 -1.896514 -0.014941
H 1.052959 -4.205215 0.323633
H -1.459237 -4.113430 0.224938
H 0.736136 1.256971 -0.192294
H -2.214403 2.567371 -0.894055
H -3.893015 3.822323 0.601195
H -4.681104 2.225959 0.812185
H -4.740445 3.042826 -0.782584
H 4.871443 1.994869 -1.002574
H 4.801548 2.154827 0.785862
H 4.301502 3.550508 -0.261068


