%chk=000039496.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039496

0 1
 O  -0.3880000       2.507600     -0.1298000    
 O   -2.832500       1.330700     -0.3762000    
 O   -3.106200      -1.398000     -2.0400001E-02
 N    4.048900       1.656700     -0.6375000    
 C    3.002400      0.6287000     -0.5561000    
 C    3.669700     -0.7185000     -0.2379000    
 C    1.984700       1.069400      0.5073000    
 C    2.724500      -1.920800     -0.2352000    
 C    1.677400      -1.885800      0.8764000    
 C   0.6454000      0.3843000      0.3662000    
 C   0.5008000      -1.003400      0.5439000    
 C  -0.4877000       1.157100      5.7399999E-02
 C  -0.7726000      -1.583500      0.4111000    
 C   -1.744100      0.5670000     -7.4000001E-02
 C   -1.886700     -0.8038000      0.1035000    
 C   -3.564300       1.876000      0.7193000    
 C   -3.471700      -1.863600      -1.318000    
 H    2.521000      0.5692000      -1.539900    
 H    4.185000     -0.6650000      0.7306000    
 H    4.449000     -0.9128000     -0.9874000    
 H    1.877100       2.156900      0.4580000    
 H    2.371500      0.8797000       1.518000    
 H    3.340500      -2.817600     -9.0099998E-02
 H    2.247500      -2.025500      -1.217600    
 H    2.119000      -1.569800       1.829300    
 H    1.324200      -2.912100       1.039700    
 H  -0.8984000      -2.655800      0.5473000    
 H    4.489500       1.773600      0.2744000    
 H    3.631500       2.557200     -0.8692000    
 H   0.1052000       2.883300      0.6184000    
 H   -3.971900       1.076600       1.346100    
 H   -4.395200       2.462500      0.3177000    
 H   -2.928600       2.535300       1.318600    
 H   -3.499600      -1.034100      -2.031600    
 H   -4.470400      -2.304300      -1.255000    
 H   -2.771100      -2.631500      -1.661200    


%chk=000039496-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039496

0 1
O -0.616613 2.379759 -0.087515
O -3.005712 1.004860 -0.422763
O -3.053532 -1.848163 -0.039555
N 4.060153 1.775785 -0.536164
C 3.025974 0.721829 -0.456209
C 3.751663 -0.622007 -0.207968
C 1.930389 1.009775 0.638267
C 2.875751 -1.895183 -0.201531
C 1.788396 -1.948185 0.910296
C 0.608916 0.278740 0.445567
C 0.539868 -1.137764 0.588828
C -0.579946 0.978956 0.098304
C -0.686366 -1.805201 0.387315
C -1.826737 0.313986 -0.071985
C -1.866113 -1.099264 0.060192
C -3.485338 1.997098 0.564321
C -3.842334 -1.693798 -1.281610
H 2.518917 0.680547 -1.440418
H 4.281226 -0.548764 0.768638
H 4.534002 -0.717942 -0.983987
H 1.790489 2.112132 0.669674
H 2.363045 0.754537 1.628438
H 3.552325 -2.763144 -0.070803
H 2.387383 -2.022749 -1.187515
H 2.243446 -1.604378 1.863680
H 1.491762 -3.001050 1.069318
H -0.755672 -2.893010 0.486073
H 4.672717 1.820347 0.285984
H 3.714224 2.701482 -0.809361
H 0.289414 2.758629 0.033736
H -3.678978 1.507332 1.537729
H -4.425747 2.387818 0.145761
H -2.750235 2.810855 0.681894
H -4.131086 -0.641292 -1.434860
H -4.730750 -2.327529 -1.136118
H -3.259102 -2.059144 -2.149553


