%chk=000059121.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059121

0 1
 O   -3.995100     -0.4584000     -0.1349000    
 N   -2.009300     -0.5752000      0.9857000    
 N   -2.442800       1.143200     -0.6205000    
 C  -0.6851000     -5.4800000E-02   1.363800    
 C   0.4092000     -0.6117000      0.5061000    
 C    1.564600      0.1260000      0.2008000    
 C    2.562400     -0.4571000     -0.6163000    
 C  -0.4604000     -0.3333000       2.858800    
 C   0.2399000      -1.905700      1.3000000E-02
 C   -2.760200      8.6900003E-02  6.1999999E-02
 C    1.751600       1.429500      0.6885000    
 C    2.375100      -1.760600      -1.104100    
 C    1.220900      -2.479000     -0.7907000    
 C    3.718000      0.2808000     -0.9213000    
 C   -4.686400      0.4853000     -0.9374000    
 C   -3.594800       1.361000      -1.500000    
 C    2.905600       2.148100      0.3749000    
 C    3.887000       1.574900     -0.4283000    
 H  -0.7492000       1.031900       1.259600    
 H   -2.359700      -1.412200       1.441400    
 H  -0.4397000      -1.410000       3.064200    
 H   -1.266900      0.1018000       3.459400    
 H   0.4881000      9.0300001E-02   3.205000    
 H  -0.6324000      -2.508200      0.2501000    
 H    1.037900       1.929600       1.334600    
 H    3.129300      -2.229200      -1.733000    
 H    1.091200      -3.488300      -1.170600    
 H   -5.254400     -2.3900000E-02  -1.721300    
 H   -5.380100       1.046800     -0.3029000    
 H   -3.332700       1.061400      -2.520700    
 H   -3.892900       2.413600      -1.519800    
 H    4.498100     -0.1475000      -1.547200    
 H    3.040700       3.154100      0.7618000    
 H    4.785700       2.134500     -0.6709000    


%chk=000059121-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059121

0 1
O -4.138645 -0.588074 0.022345
N -2.050295 -0.438884 1.064789
N -2.693675 1.150389 -0.631436
C -0.702875 0.097755 1.308516
C 0.376816 -0.525194 0.402188
C 1.645855 0.144877 0.215211
C 2.669173 -0.494080 -0.593036
C -0.355352 -0.107256 2.805893
C 0.160624 -1.761279 -0.215147
C -2.894763 0.107331 0.132888
C 1.945089 1.430091 0.786074
C 2.403679 -1.768110 -1.194617
C 1.168041 -2.387067 -1.012478
C 3.930822 0.161920 -0.783471
C -4.920419 0.197216 -0.985570
C -3.916244 1.301311 -1.479074
C 3.181426 2.046664 0.579552
C 4.188659 1.406924 -0.208405
H -0.762324 1.180650 1.089859
H -2.405622 -1.206241 1.633153
H -0.371435 -1.183527 3.063822
H -1.079424 0.423887 3.449169
H 0.657305 0.267077 3.028059
H -0.811954 -2.251563 -0.099600
H 1.190291 1.950441 1.384158
H 3.183668 -2.241560 -1.802804
H 0.959546 -3.355785 -1.479993
H -5.234791 -0.502625 -1.776643
H -5.804685 0.610624 -0.471148
H -3.650255 1.167150 -2.544019
H -4.335058 2.316681 -1.359631
H 4.692868 -0.334983 -1.396166
H 3.382079 3.030171 1.018879
H 5.155076 1.899671 -0.361516


