%chk=000050341.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050341

0 1
 N    3.777700      0.1851000      -1.309200    
 N   -1.827100      6.9700003E-02  -1.533700    
 N   -4.766300     -0.1224000       1.448400    
 C    6.834600      4.5600001E-02  0.9476000    
 C    6.010200      0.1309000     -0.3418000    
 C    8.332000     -3.7999999E-02  0.6407000    
 C    4.506700      0.1499000     -7.9200000E-02
 C    9.202700     -0.1562000       1.893400    
 C   -2.823900      4.4999998E-03 -0.5225000    
 C   -3.282300      -1.240500     -8.0200002E-02
 C   -3.337500       1.186100      2.1700000E-02
 C    2.368700      0.1559000      -1.365600    
 C  -0.4275000      9.8600000E-02  -1.477700    
 C   -4.268100      -1.257400      0.9210000    
 C   -4.321100       1.074200       1.018900    
 C    10.68530     -0.3104000       1.591000    
 C    1.719200      0.1931000      -2.599500    
 C    1.624800      9.0200000E-02 -0.1876000    
 C   0.3258000      0.1644000      -2.655300    
 C   0.2313000      6.1700001E-02 -0.2434000    
 C   -2.783700      -2.443800     -0.6093000    
 C   -2.894900       2.450700     -0.4038000    
 C   -4.728700      -2.493900       1.365400    
 C   -4.836400       2.247000       1.564500    
 C   -3.260800      -3.666900     -0.1476000    
 C   -3.426300       3.607900      0.1579000    
 C   -4.235300      -3.691500      0.8418000    
 C   -4.399000       3.505400       1.144100    
 H    6.633700      0.9233000       1.573200    
 H    6.529800     -0.8385000       1.520500    
 H    6.296500       1.031400     -0.9002000    
 H    6.253700     -0.7243000     -0.9857000    
 H    8.637500      0.8500000      7.3500000E-02
 H    8.518700     -0.9052000     -5.1000002E-03
 H    4.265700       1.027100      0.5334000    
 H    4.245700     -0.7492000      0.4924000    
 H    9.057200      0.7311000       2.520900    
 H    8.873700      -1.019900       2.483700    
 H    4.277600      0.2428000      -2.189700    
 H   -2.219900      9.9399999E-02  -2.470100    
 H    10.87120      -1.212200      0.9992000    
 H    11.06030      0.5517000       1.030500    
 H    11.25720     -0.3884000       2.520800    
 H    2.287400      0.2443000      -3.524700    
 H    2.089000      6.1900001E-02  0.7936000    
 H  -0.1664000      0.1939000      -3.624400    
 H  -0.3229000      1.1000000E-02  0.6903000    
 H   -2.025000      -2.460600      -1.387300    
 H   -2.139200       2.567100      -1.176200    
 H   -5.492100      -2.539700       2.140000    
 H   -5.599600       2.193100       2.338800    
 H   -2.875000      -4.594700     -0.5585000    
 H   -3.083800       4.583500     -0.1732000    
 H   -4.614800      -4.640600       1.209000    
 H   -4.820400       4.402200       1.588800    


%chk=000050341-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050341

0 1
N 3.827254 -0.009955 -1.264910
N -1.815359 -0.742827 -1.460375
N -4.985774 0.147184 1.316933
C 6.994747 0.271672 0.914018
C 6.117478 0.257228 -0.357106
C 8.492680 0.507259 0.616153
C 4.627017 0.029475 -0.037890
C 9.369658 0.514729 1.889131
C -2.804612 -0.433787 -0.515157
C -3.864878 -1.385328 -0.298349
C -2.851710 0.818944 0.192620
C 2.443612 -0.181117 -1.290514
C -0.404366 -0.520918 -1.378634
C -4.949013 -1.024809 0.606719
C -3.957565 1.035973 1.122068
C 10.865731 0.748719 1.587877
C 1.745715 -0.234848 -2.535295
C 1.678640 -0.308981 -0.091289
C 0.349337 -0.390051 -2.575482
C 0.283733 -0.488332 -0.139300
C -3.892211 -2.685576 -0.912873
C -1.917928 1.893071 -0.016063
C -6.037098 -1.949536 0.790277
C -4.016800 2.273875 1.855638
C -4.957269 -3.561491 -0.704593
C -2.023184 3.087969 0.693263
C -6.050481 -3.182285 0.144272
C -3.071976 3.275080 1.655012
H 6.631301 1.062149 1.602951
H 6.876679 -0.691235 1.452802
H 6.234620 1.218652 -0.897909
H 6.472581 -0.543499 -1.038846
H 8.615577 1.472648 0.082152
H 8.859735 -0.280156 -0.075030
H 4.266314 0.843411 0.628348
H 4.514635 -0.921317 0.529203
H 9.002849 1.301655 2.579437
H 9.244489 -0.449578 2.422609
H 4.320415 0.061545 -2.154126
H -2.109118 -1.377898 -2.205082
H 11.266615 -0.044048 0.928315
H 11.020334 1.718344 1.077828
H 11.469281 0.754444 2.513939
H 2.305765 -0.140475 -3.474286
H 2.175417 -0.283681 0.883059
H -0.166294 -0.399627 -3.543441
H -0.277389 -0.604381 0.793727
H -3.047017 -3.023329 -1.525022
H -1.113413 1.773565 -0.745479
H -6.841087 -1.637065 1.463832
H -4.847894 2.389225 2.558262
H -4.952427 -4.551369 -1.173952
H -1.302794 3.893214 0.511806
H -6.884601 -3.876384 0.296039
H -3.134051 4.214252 2.216211


