%chk=000042689.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042689

0 1
 N   -1.749500       1.336000      0.3013000    
 N    5.429100      -1.372700      0.3920000    
 N    3.342300       2.190900      -1.300400    
 C   -1.652500     -5.2299999E-02  0.1375000    
 C   -2.903900     -0.7961000     -6.0699999E-02
 C  -0.4596000     -0.6978000      0.1498000    
 C   -2.849300      -2.297800      1.8300001E-02
 C  -0.3423000      -2.189300     -9.5399998E-02
 C   -1.605500      -2.817200     -0.6860000    
 C   -3.044100       2.005700      0.4582000    
 C  -0.5740000       2.187600      0.4796000    
 C   -4.117800       1.348700     -0.4061000    
 C   -4.048000     -0.1460000     -0.3369000    
 C   0.7838000      5.9400000E-02  0.3916000    
 C   0.7002000       1.398600      0.5332000    
 C    2.103600     -0.5365000      0.5022000    
 C    3.243900     -3.8199998E-02  1.0800000E-02
 C    4.448800     -0.7749000      0.2224000    
 C    3.294700       1.191900     -0.7115000    
 H   -2.834200      -2.602600       1.072400    
 H   -3.737700      -2.753500     -0.4348000    
 H   0.4851000      -2.402500     -0.7831000    
 H  -0.1102000      -2.682400      0.8575000    
 H   -1.550400      -3.908500     -0.6007000    
 H   -1.663100      -2.585400      -1.757900    
 H   -2.970200       3.067200      0.1928000    
 H   -3.335000       1.958100       1.515400    
 H  -0.6729000       2.754500       1.413100    
 H  -0.5143000       2.905900     -0.3461000    
 H   -4.008600       1.656200      -1.453000    
 H   -5.103600       1.688700     -6.9700003E-02
 H   -4.964200     -0.6987000     -0.5237000    
 H    1.555300       2.007800      0.8110000    
 H    2.126000      -1.491200       1.027500    


%chk=000042689-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042689

0 1
N -1.765208 1.364862 0.176106
N 5.471716 -1.529023 0.065938
N 3.718807 2.380158 -1.111879
C -1.679622 -0.040279 0.136261
C -2.943326 -0.791066 -0.050496
C -0.448352 -0.696546 0.201826
C -2.872553 -2.296683 0.131341
C -0.340659 -2.209886 0.042346
C -1.608687 -2.854949 -0.557608
C -3.080385 2.023687 0.297815
C -0.655521 2.156949 0.750722
C -4.135142 1.353692 -0.598411
C -4.096507 -0.145915 -0.400253
C 0.771401 0.122176 0.323685
C 0.674624 1.484585 0.546276
C 2.082562 -0.536123 0.283901
C 3.310817 -0.026006 -0.113483
C 4.492515 -0.845711 -0.014912
C 3.514929 1.293225 -0.653578
H -2.829620 -2.546120 1.212084
H -3.785768 -2.769018 -0.274369
H 0.520128 -2.460411 -0.610052
H -0.125530 -2.684426 1.025952
H -1.559203 -3.954208 -0.445193
H -1.659723 -2.634086 -1.641262
H -2.953369 3.086045 0.014284
H -3.423396 2.003875 1.359818
H -0.826010 2.346214 1.846663
H -0.652466 3.159293 0.273741
H -3.936517 1.602590 -1.661562
H -5.134655 1.760522 -0.356619
H -5.012816 -0.724488 -0.570474
H 1.565277 2.104622 0.682608
H 2.104159 -1.583953 0.609384


