%chk=000019047.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019047

0 1
 N    2.798600      0.2203000      0.6440000    
 N   0.1702000       1.027500     -0.2038000    
 N   -3.936000     -0.2816000     -9.7000003E-03
 C    1.622400     -0.4599000       1.207300    
 C    2.561500      0.5134000     -0.7779000    
 C   0.4413000      0.5383000       1.154000    
 C    1.390900       1.522600     -0.8528000    
 C    1.312600      -1.791500      0.4912000    
 C    2.305300     -0.7621000      -1.608000    
 C    1.221100      -1.671400      -1.029800    
 C  -0.8810000       2.040400     -0.2044000    
 C    4.055100     -0.4736000      0.8981000    
 C   -2.189100       1.444100      0.3182000    
 C   -2.679900      0.2585000     -0.5156000    
 C   -3.774100     -0.7647000       1.362800    
 C   -4.418900      -1.360300     -0.8737000    
 H    1.803600     -0.6771000       2.268300    
 H    3.441200       1.021200      -1.195000    
 H  -0.4242000      9.8000001E-03   1.566600    
 H   0.6596000       1.380700       1.825500    
 H    1.708700       2.466400     -0.3874000    
 H    1.181200       1.741600      -1.907300    
 H   0.3776000      -2.216000      0.8768000    
 H    2.095100      -2.520600      0.7360000    
 H    3.237800      -1.335800      -1.680500    
 H    2.040000     -0.4921000      -2.637400    
 H    1.295100      -2.667100      -1.483000    
 H   0.2334000      -1.295600      -1.316000    
 H  -0.6020000       2.910400      0.4034000    
 H   -1.049600       2.402000      -1.226600    
 H    4.897700      0.1197000      0.5260000    
 H    4.112800      -1.465000      0.4392000    
 H    4.211600     -0.5915000       1.976100    
 H   -2.088100       1.211800       1.381000    
 H   -2.951200       2.234600      0.2726000    
 H   -1.920600     -0.5317000     -0.5479000    
 H   -2.822200      0.6049000      -1.547400    
 H   -4.674300      -1.301700       1.686300    
 H   -2.923900      -1.448600       1.469000    
 H   -3.666700      5.7900000E-02   2.075800    
 H   -3.722400      -2.206100     -0.9079000    
 H   -5.391000      -1.727200     -0.5258000    
 H   -4.570900     -0.9965000      -1.896000    


%chk=000019047-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019047

0 1
N 2.961278 0.269466 0.560599
N 0.227501 0.943447 -0.120455
N -4.118396 -0.243238 -0.077256
C 1.837511 -0.459762 1.217270
C 2.600792 0.525007 -0.864589
C 0.614085 0.488083 1.239492
C 1.392486 1.489724 -0.865139
C 1.560169 -1.841743 0.546389
C 2.366180 -0.796429 -1.660020
C 1.322355 -1.725227 -0.983052
C -0.892170 1.917036 -0.104395
C 4.299501 -0.305460 0.780666
C -2.223195 1.346663 0.427600
C -2.703917 0.111767 -0.360890
C -4.337546 -0.683577 1.315274
C -4.632575 -1.235631 -1.043635
H 2.124297 -0.633416 2.274157
H 3.445750 1.070899 -1.330692
H -0.243864 -0.038813 1.697769
H 0.873391 1.359142 1.895220
H 1.740152 2.456281 -0.417179
H 1.073858 1.691635 -1.906551
H 0.687836 -2.323078 1.031222
H 2.431059 -2.501533 0.739982
H 3.337392 -1.325797 -1.747072
H 2.046561 -0.556633 -2.693367
H 1.358890 -2.731249 -1.446861
H 0.316247 -1.306311 -1.152742
H -0.623609 2.826382 0.498118
H -1.043051 2.259533 -1.147951
H 5.058118 0.364644 0.335179
H 4.461611 -1.326698 0.357581
H 4.494739 -0.360316 1.867820
H -2.129803 1.113778 1.505407
H -2.996520 2.134477 0.340316
H -2.013041 -0.749704 -0.168852
H -2.629080 0.339098 -1.442384
H -5.407341 -0.916976 1.463199
H -3.743756 -1.595816 1.586978
H -4.069974 0.121877 2.019797
H -4.104025 -2.223031 -0.993956
H -5.706987 -1.415804 -0.857518
H -4.524611 -0.844297 -2.071177


