%chk=000070415.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070415

0 1
 N   -1.674400       1.118100      0.6363000    
 N    2.526000      0.9572000      0.6784000    
 N    1.637300       3.063500      -1.812200    
 C    1.232200       1.401400      0.1928000    
 C   0.4279000      0.1751000     -0.2704000    
 C   0.4856000       2.103300       1.339600    
 C   -1.045600      0.5024000     -0.5391000    
 C  -0.9900000       2.361400       1.013200    
 C   -3.093100       1.370700      0.3847000    
 C    1.459000       2.331800     -0.9296000    
 C    3.177000     -0.1600000      0.1941000    
 C   -3.842800      0.1068000      7.6800004E-02
 C    3.513200      -1.246900       1.029000    
 C    3.528200     -0.2452000      -1.169300    
 C   -3.951800     -0.3246000      -1.240100    
 C   -4.420800     -0.6192000       1.111500    
 C    4.171000      -2.367900      0.5227000    
 C    3.165600      -1.209300       2.481700    
 C    4.186000      -1.366200      -1.675800    
 C   -4.648700      -1.498600      -1.526300    
 C   -5.117600      -1.793200      0.8254000    
 C    4.507300      -2.427500     -0.8297000    
 C   -5.231600      -2.232900     -0.4935000    
 H   0.4598000     -0.6119000      0.4970000    
 H   0.8333000     -0.2629000      -1.190800    
 H   0.9706000       3.054800       1.595500    
 H   0.5344000       1.483500       2.246700    
 H   -1.134500       1.145100      -1.424500    
 H   -1.493600     -0.4655000     -0.7786000    
 H   -1.462500       2.786600       1.907400    
 H   -1.073200       3.113400      0.2178000    
 H    2.758500       1.218100       1.632100    
 H   -3.231700       2.090400     -0.4345000    
 H   -3.550400       1.838300       1.267300    
 H    3.309500      0.5684000      -1.855000    
 H   -3.517400      0.2439000      -2.057900    
 H   -4.337000     -0.2878000       2.142800    
 H    4.430000      -3.203200       1.167900    
 H    3.740000     -0.4290000       2.991600    
 H    2.095500      -1.021900       2.620000    
 H    3.390000      -2.160000       2.977700    
 H    4.451400      -1.411300      -2.728000    
 H   -4.740400      -1.839000      -2.553500    
 H   -5.571200      -2.365300       1.629500    
 H    5.020400      -3.299700      -1.223900    
 H   -5.774800      -3.146600     -0.7164000    


%chk=000070415-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000070415

0 1
N -1.876124 1.023560 0.353487
N 2.296154 0.275694 1.006369
N 1.787171 2.583127 -1.576090
C 1.102414 0.826770 0.350811
C 0.164221 -0.284655 -0.226333
C 0.287031 1.608865 1.430802
C -1.170718 0.292566 -0.728679
C -1.050837 2.134936 0.882945
C -3.227291 1.479997 -0.056765
C 1.479455 1.796490 -0.732450
C 3.326600 -0.485981 0.416074
C -4.215796 0.334941 -0.256247
C 4.332419 -1.037720 1.279445
C 3.405708 -0.722812 -0.984376
C -5.170395 0.386456 -1.301133
C -4.230354 -0.770928 0.631359
C 5.367578 -1.811217 0.710705
C 4.276027 -0.797515 2.778012
C 4.448826 -1.505936 -1.521338
C -6.131231 -0.639917 -1.452799
C -5.185630 -1.799919 0.479941
C 5.437158 -2.060060 -0.679951
C -6.142694 -1.736616 -0.561023
H -0.024093 -0.993969 0.600103
H 0.662498 -0.837912 -1.039399
H 0.890041 2.452753 1.816706
H 0.087161 0.903028 2.259339
H -0.990087 0.955136 -1.614025
H -1.817636 -0.535152 -1.068321
H -1.605960 2.625747 1.703884
H -0.851944 2.915622 0.104878
H 2.465026 0.613160 1.954028
H -3.191759 2.102552 -0.986830
H -3.601820 2.143142 0.749635
H 2.681372 -0.271325 -1.667571
H -5.161904 1.232006 -2.000652
H -3.477483 -0.812362 1.426572
H 6.132062 -2.231743 1.375879
H 4.358040 0.279719 3.035914
H 3.331346 -1.173174 3.220218
H 5.108300 -1.310760 3.287586
H 4.489904 -1.669899 -2.604051
H -6.863709 -0.586549 -2.266271
H -5.186357 -2.649946 1.172131
H 6.248591 -2.666969 -1.094476
H -6.884679 -2.534629 -0.677643


