%chk=000039009.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039009

0 1
 O    3.864000       2.743400      0.1463000    
 N  -0.4516000     -0.6073000     -0.2950000    
 N   -4.314600       1.207000     -0.2128000    
 C   -1.868200     -0.3763000     -0.4951000    
 C   0.4963000      0.3849000     -0.2088000    
 C   0.1262000      -1.848100     -0.1637000    
 C    1.729600     -0.2378000     -1.4800000E-02
 C    1.495500      -1.649400      1.3900000E-02
 C   -2.618800     -0.2238000      0.8276000    
 C   -4.109400      6.3999998E-03  0.5887000    
 C   0.3543000       1.775100     -0.2876000    
 C  -0.4572000      -3.120100     -0.1889000    
 C    2.880600      0.5688000      0.1069000    
 C    2.325700      -2.778700      0.1749000    
 C    2.754500       1.960400      2.9800000E-02
 C    1.509000       2.552500     -0.1648000    
 C   0.3857000      -4.222900     -2.7700000E-02
 C    1.756900      -4.057100      0.1519000    
 C   -3.797600       2.386400      0.4835000    
 C   -5.734300       1.383000     -0.5237000    
 C    3.673200       4.153700      5.9300002E-02
 H   -1.967200      0.5085000      -1.132300    
 H   -2.271900      -1.211300      -1.078700    
 H   -2.509700      -1.150600       1.406700    
 H   -2.170200      0.5536000       1.455800    
 H   -4.628300      7.1999997E-02   1.553700    
 H   -4.516800     -0.8673000      6.4199999E-02
 H  -0.6075000       2.248900     -0.4444000    
 H   -1.524100      -3.262600     -0.3229000    
 H    3.856700      0.1158000      0.2588000    
 H    3.396900      -2.665700      0.3157000    
 H    1.357700       3.625000     -0.2330000    
 H  -3.6499999E-02  -5.224500     -4.1299999E-02
 H    2.393500      -4.929100      0.2758000    
 H   -2.707800       2.388700      0.5544000    
 H   -4.218300       2.492000       1.490300    
 H   -4.047100       3.295500     -7.7200003E-02
 H   -5.882400       2.255900      -1.169200    
 H   -6.342200       1.513100      0.3790000    
 H   -6.117300      0.5178000      -1.076400    
 H    3.048000       4.527600      0.8773000    
 H    3.292900       4.449600     -0.9243000    
 H    4.657500       4.620000      0.1729000    


%chk=000039009-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039009

0 1
O 3.901404 2.757642 0.112662
N -0.499167 -0.680884 -0.387087
N -4.311068 1.355645 -0.069419
C -1.941811 -0.490408 -0.564834
C 0.457660 0.352430 -0.289253
C 0.149798 -1.910168 -0.177186
C 1.750272 -0.228491 -0.032501
C 1.554099 -1.671836 0.037650
C -2.719054 -0.415909 0.772408
C -4.185758 0.012775 0.554509
C 0.294742 1.745481 -0.413161
C -0.389029 -3.216276 -0.168332
C 2.881073 0.603067 0.095922
C 2.421137 -2.766259 0.258539
C 2.716982 2.001084 -0.030369
C 1.435533 2.570759 -0.282564
C 0.498110 -4.291888 0.053285
C 1.889034 -4.073640 0.264904
C -3.918986 2.453687 0.839738
C -5.656724 1.579559 -0.638704
C 3.793728 4.208318 -0.020396
H -2.120255 0.443171 -1.126084
H -2.336392 -1.316759 -1.186784
H -2.705457 -1.401029 1.277244
H -2.203117 0.288608 1.451177
H -4.733150 -0.038527 1.531150
H -4.675893 -0.713968 -0.123560
H -0.684257 2.194515 -0.611085
H -1.457172 -3.398918 -0.326786
H 3.880722 0.202480 0.289054
H 3.492330 -2.603390 0.422646
H 1.317008 3.654034 -0.379009
H 0.107102 -5.315834 0.064441
H 2.548992 -4.931101 0.435298
H -2.873353 2.330161 1.169468
H -4.564095 2.514295 1.753373
H -3.991795 3.417583 0.304994
H -5.682275 2.552995 -1.160802
H -6.470075 1.581952 0.131187
H -5.886938 0.790550 -1.376679
H 3.130252 4.640968 0.755098
H 3.424187 4.499093 -1.024127
H 4.817359 4.587430 0.118775


