%chk=000038695.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038695

0 1
 O   0.1530000     -0.5779000      -1.613200    
 O   0.7682000     -0.9923000       1.897600    
 N   -2.381500     -0.4647000     -0.3361000    
 N  -3.9299998E-02 -0.9013000     -0.2623000    
 C   -2.199500      0.7556000      0.4625000    
 C   -3.724500      -1.030000     -0.1439000    
 C   -3.232900       1.819300      8.8200003E-02
 C   -4.807700     -2.4700001E-02 -0.5377000    
 C   -4.653800       1.284900      0.2273000    
 C   -1.357500      -1.453600       0.000000    
 C   0.9154000     -0.7160000      0.7083000    
 C    2.214500     -0.1464000      0.2988000    
 C    2.386500       1.226700      0.3151000    
 C    3.232100     -0.9996000     -9.1200002E-02
 C    3.614700       1.763600     -7.0299998E-02
 C    4.460400     -0.4626000     -0.4767000    
 C    4.651800      0.9190000     -0.4664000    
 H   -1.216200       1.206200      0.2881000    
 H   -2.271900      0.5348000       1.535800    
 H   -3.872400      -1.340000      0.8990000    
 H   -3.843900      -1.923100     -0.7693000    
 H   -3.065200       2.147400     -0.9456000    
 H   -3.106100       2.700300      0.7277000    
 H   -5.797800     -0.4521000     -0.3432000    
 H   -4.750700      0.1730000      -1.615800    
 H   -4.880100       1.118200       1.287600    
 H   -5.372000       2.024200     -0.1435000    
 H   -1.460000      -2.341200     -0.6355000    
 H   -1.430100      -1.773300       1.046200    
 H   0.4443000      -1.438200      -1.960600    
 H    1.583200       1.890300      0.6222000    
 H    3.090200      -2.076400     -0.1017000    
 H    3.763700       2.839500     -6.2300000E-02
 H    5.267800      -1.120300     -0.7851000    
 H    5.608100       1.337100     -0.7667000    


%chk=000038695-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038695

0 1
O -0.039921 -1.319961 -1.732522
O 0.630101 -0.686117 1.780246
N -2.375538 -0.608793 0.268055
N -0.093721 -1.416037 -0.270737
C -2.860345 -0.145365 1.585980
C -3.341583 -0.468476 -0.838864
C -3.328191 1.324117 1.505525
C -3.818686 0.995033 -0.965581
C -4.377091 1.506459 0.383297
C -1.471763 -1.736292 0.237537
C 0.827607 -0.715283 0.520423
C 2.068562 -0.111054 -0.083960
C 2.133476 0.505246 -1.362846
C 3.216620 -0.088249 0.754594
C 3.333223 1.115891 -1.792795
C 4.416893 0.503813 0.312654
C 4.479778 1.107607 -0.965951
H -2.032960 -0.242881 2.310300
H -3.715377 -0.773369 1.947353
H -4.237156 -1.124756 -0.680319
H -2.851094 -0.789625 -1.774977
H -2.448774 1.964105 1.299382
H -3.746683 1.630657 2.483762
H -4.587528 1.065915 -1.759512
H -2.958134 1.621864 -1.269759
H -5.293930 0.935223 0.641171
H -4.673277 2.569403 0.300013
H -1.830432 -2.548239 -0.424674
H -1.311488 -2.136644 1.252653
H 0.513635 -2.099130 -2.014528
H 1.249325 0.518969 -2.003721
H 3.138035 -0.527116 1.754607
H 3.370341 1.600273 -2.775064
H 5.297309 0.503891 0.964692
H 5.409566 1.575322 -1.309135


