%chk=000170512.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170512

0 1
 N   -1.875100       1.074700     -5.0400000E-02
 N   -1.797500      -1.251700      0.3526000    
 N   0.5773000       1.364900     -0.1349000    
 N   0.6692000      -1.394400      0.3425000    
 C   -2.688300     -0.1479000     -2.7500000E-02
 C  -0.5383000      0.6362000      2.6799999E-02
 C  -0.4928000     -0.7273000      0.2628000    
 C   -2.226100       2.270300     -0.7722000    
 C   -2.062400      -2.640400      7.8699999E-02
 C   -3.810900     -8.6000003E-03  0.9931000    
 C   -1.983700       3.512300      6.0300000E-02
 C   -1.705400      -3.002600      -1.348200    
 C    1.751300      0.7136000     -4.8400000E-02
 C    1.797700     -0.6773000      0.1922000    
 C    2.945400       1.413300     -0.1995000    
 C    3.036200      -1.308400      0.2713000    
 C    4.178900      0.7696000     -0.1177000    
 C    4.224500     -0.5963000      0.1186000    
 H   -3.105400     -0.3299000      -1.026400    
 H   -1.676400       2.330900      -1.719200    
 H   -3.290300       2.240900      -1.035200    
 H   -1.496400      -3.273400      0.7723000    
 H   -3.121800      -2.857800      0.2546000    
 H   -3.414900      0.1705000       1.999500    
 H   -4.468100      0.8305000      0.7418000    
 H   -4.422100     -0.9161000       1.033300    
 H   -2.540400       3.467400       1.002400    
 H  -0.9244000       3.636300      0.3053000    
 H   -2.308400       4.404300     -0.4847000    
 H  -0.6355000      -2.891400      -1.548800    
 H   -1.968800      -4.046900      -1.545900    
 H   -2.247100      -2.379400      -2.067200    
 H    2.925700       2.485300     -0.3859000    
 H    3.088000      -2.379700      0.4556000    
 H    5.097800       1.335000     -0.2386000    
 H    5.179400      -1.108800      0.1841000    


%chk=000170512-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170512

0 1
N -1.702789 1.047418 -0.439351
N -1.627404 -1.221817 0.002766
N 0.694724 1.477583 -0.332683
N 0.796983 -1.423890 0.199167
C -2.595970 -0.135412 -0.308968
C -0.376466 0.693358 -0.261827
C -0.326057 -0.742133 0.003965
C -2.155597 2.385198 -0.838267
C -1.988669 -2.637297 0.128486
C -3.681912 0.031745 0.774269
C -2.246562 3.379240 0.341164
C -2.398845 -3.289944 -1.211418
C 1.917337 0.795692 -0.124168
C 1.967741 -0.631348 0.139368
C 3.130598 1.534033 -0.174531
C 3.229178 -1.254768 0.338710
C 4.366205 0.895739 0.026805
C 4.415623 -0.503611 0.284094
H -3.096907 -0.332649 -1.287564
H -1.434975 2.773810 -1.582759
H -3.136366 2.283793 -1.341345
H -1.093696 -3.141839 0.533341
H -2.800656 -2.749355 0.873338
H -3.218119 0.203510 1.760070
H -4.336065 0.887341 0.528998
H -4.317205 -0.870831 0.826517
H -2.971064 3.038851 1.101865
H -1.257880 3.483815 0.819072
H -2.563278 4.374303 -0.022317
H -1.578591 -3.213661 -1.945878
H -2.625438 -4.360378 -1.055840
H -3.299573 -2.815407 -1.643171
H 3.065709 2.608562 -0.374891
H 3.240548 -2.331980 0.534722
H 5.294508 1.476391 -0.014665
H 5.381831 -0.996362 0.440023


