%chk=000029298.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029298

0 1
 N   0.9964000     -0.1715000      -1.474000    
 N   -2.500800       1.100700      0.4492000    
 N    3.253300      -1.190100       1.025500    
 C   -1.268300     -0.6322000     -0.6990000    
 C   -1.166100      -2.027600      -1.250600    
 C   -1.257300      -3.105900     -0.1706000    
 C   -2.682600      -3.396200      0.2978000    
 C   -3.369700      -2.238600       1.021300    
 C   -3.626500      -1.023000      0.1324000    
 C   -2.407400     -0.1594000     -5.3300001E-02
 C  -0.1947000      0.2533000     -0.8261000    
 C  -0.2703000       1.555400     -0.3164000    
 C   -1.459700       1.942400      0.3238000    
 C    2.247900      0.4812000      -1.281600    
 C    3.398100     -0.5223000      -1.356600    
 C   0.8004000       2.458900     -0.4325000    
 C    3.307400      -1.672600     -0.3491000    
 C   -1.540800       3.235700      0.8331000    
 C   0.6950000       3.746400      8.5299999E-02
 C  -0.4782000       4.135300      0.7193000    
 C    4.480100     -0.4679000       1.367300    
 C    3.043500      -2.302000       1.954600    
 H   -1.956900      -2.168100      -1.999100    
 H  -0.2398000      -2.216800      -1.794300    
 H  -0.8565000      -4.039000     -0.5873000    
 H  -0.6228000      -2.850000      0.6871000    
 H   -3.294000      -3.710200     -0.5573000    
 H   -2.648400      -4.253400      0.9819000    
 H   -2.792600      -1.955500       1.910200    
 H   -4.339200      -2.606800       1.380400    
 H   -4.410900     -0.4166000      0.6038000    
 H   -4.022300      -1.322000     -0.8455000    
 H   0.9229000     -0.8392000      -2.229900    
 H    2.449900       1.176200      -2.105200    
 H    2.393000      0.8917000     -0.2788000    
 H    4.356500      3.5999999E-03  -1.276000    
 H    3.401700     -0.9713000      -2.359800    
 H    4.162100      -2.345700     -0.4988000    
 H    2.408900      -2.262300     -0.5710000    
 H    1.646000       2.449000      -1.088200    
 H   -2.450900       3.564600       1.331500    
 H    1.499700       4.463300     -5.0600000E-02
 H  -0.5756000       5.141900       1.115300    
 H    5.380000      -1.068000       1.188800    
 H    4.471400     -0.1864000       2.427200    
 H    4.569500      0.4757000      0.8210000    
 H    2.954500      -1.933600       2.982700    
 H    3.860600      -3.031600       1.917900    
 H    2.105600      -2.821100       1.727400    


%chk=000029298-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029298

0 1
N 1.006517 0.040112 -1.718562
N -2.414026 1.007761 0.671633
N 3.310802 -1.085441 1.085769
C -1.217253 -0.526676 -0.844643
C -1.215305 -1.905368 -1.495196
C -1.056460 -3.090534 -0.492729
C -2.377982 -3.507147 0.195607
C -3.063735 -2.408253 1.040885
C -3.470695 -1.133726 0.246805
C -2.324361 -0.163212 -0.002531
C -0.133030 0.389282 -0.983253
C -0.260271 1.704662 -0.372662
C -1.406778 1.941220 0.478599
C 2.409297 0.410975 -1.427323
C 3.321606 -0.836872 -1.420018
C 0.635612 2.797309 -0.616440
C 3.059116 -1.760798 -0.208311
C -1.550155 3.208137 1.131303
C 0.455511 4.035793 0.007576
C -0.632555 4.237396 0.911052
C 4.745672 -0.912870 1.385943
C 2.580009 -1.705455 2.209763
H -2.162781 -2.050616 -2.052757
H -0.422895 -1.991739 -2.262566
H -0.660873 -3.970154 -1.039832
H -0.299763 -2.822330 0.271962
H -3.088284 -3.844419 -0.589163
H -2.184168 -4.388944 0.839362
H -2.409259 -2.109850 1.883732
H -3.977916 -2.842828 1.491703
H -4.226381 -0.570797 0.820392
H -3.941580 -1.441362 -0.710229
H 0.917158 -0.803157 -2.287197
H 2.792649 1.137055 -2.174348
H 2.462612 0.874948 -0.427837
H 4.375636 -0.498057 -1.423799
H 3.184576 -1.418108 -2.356491
H 3.669160 -2.694885 -0.316586
H 1.996565 -2.069439 -0.222997
H 1.452757 2.681841 -1.332219
H -2.419891 3.334657 1.783648
H 1.146140 4.858995 -0.206796
H -0.758448 5.206026 1.407811
H 5.288466 -1.885655 1.507032
H 4.860466 -0.337895 2.321928
H 5.243999 -0.343996 0.581989
H 2.730653 -1.105186 3.124919
H 2.904210 -2.754604 2.429899
H 1.497756 -1.717396 1.988373


