%chk=000178039.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178039

0 1
 O   0.8187000      -1.371900      0.1395000    
 N   -4.107400       1.258900      0.5425000    
 N   -3.875100      -1.506400     -0.4408000    
 N  -8.7099999E-02  0.7151000     -0.2348000    
 N    2.406300       1.732900     -0.3153000    
 N    3.735900       1.924700     -0.3035000    
 C   -3.853200      0.9658000     -0.8771000    
 C   -3.525200      0.1931000       1.373700    
 C   -1.464100      0.2831000     -0.1778000    
 C   -2.335700       1.129800      -1.115500    
 C   -1.988900      0.3141000       1.264900    
 C   -4.381500     -0.4263000      -1.293000    
 C   -4.049000      -1.208200      0.9841000    
 C   -5.514800       1.511100      0.8342000    
 C   -4.472200      -2.790500     -0.7945000    
 C   0.9732000     -0.1687000     -6.7400001E-02
 C    2.313500      0.4319000     -0.1203000    
 C    3.527100     -0.2344000      1.8100001E-02
 C    4.465900      0.7834000     -0.1080000    
 C    3.965000      -1.552000      0.2320000    
 C    5.842900      0.5630000     -3.2499999E-02
 C    5.342100      -1.794700      0.3110000    
 C    6.263300     -0.7539000      0.1803000    
 H   -4.351600       1.719200      -1.501300    
 H   -3.779300      0.3706000       2.427100    
 H   -1.481500     -0.7527000     -0.5332000    
 H   -2.090300      0.8954000      -2.159200    
 H   -2.082200       2.191500     -0.9818000    
 H   -1.683200       1.259900       1.735400    
 H   -1.507900     -0.4785000       1.852300    
 H   -5.479300     -0.4149000      -1.280200    
 H   -4.083400     -0.6164000      -2.331800    
 H   -3.512100      -1.958700       1.577900    
 H   -5.107900      -1.288400       1.262700    
 H   -5.879100       2.357600      0.2415000    
 H   -5.639300       1.793800       1.885500    
 H   -6.166600      0.6552000      0.6357000    
 H   0.1075000       1.706500     -0.3444000    
 H   -4.272800      -3.031500      -1.844500    
 H   -5.557000      -2.798800     -0.6389000    
 H   -4.032200      -3.597000     -0.1976000    
 H    4.084000       2.866100     -0.4359000    
 H    3.265700      -2.375700      0.3358000    
 H    6.556900       1.372700     -0.1338000    
 H    5.697600      -2.808500      0.4759000    
 H    7.326800     -0.9698000      0.2454000    


%chk=000178039-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178039

0 1
O 0.804472 -1.464323 -0.003906
N -4.229438 1.291400 0.468294
N -3.857384 -1.509655 -0.356766
N -0.098100 0.699279 -0.102086
N 2.464799 1.781236 -0.079403
N 3.837889 1.991701 -0.071244
C -3.862749 0.932653 -0.932452
C -3.643636 0.276911 1.393890
C -1.513852 0.288379 -0.072243
C -2.331282 1.118819 -1.093188
C -2.102340 0.431737 1.359506
C -4.362060 -0.493160 -1.309573
C -4.135808 -1.161126 1.056592
C -5.657839 1.590462 0.686910
C -4.286301 -2.875099 -0.700201
C 0.948018 -0.197257 -0.049622
C 2.304463 0.425241 -0.054573
C 3.580973 -0.249045 -0.028526
C 4.562456 0.800625 -0.040696
C 3.997146 -1.606211 0.002480
C 5.953371 0.539301 -0.023342
C 5.377604 -1.871845 0.019699
C 6.340244 -0.813259 0.006928
H -4.366535 1.651193 -1.608840
H -3.990113 0.515639 2.418831
H -1.546802 -0.774756 -0.355694
H -2.017910 0.854816 -2.121193
H -2.119123 2.196980 -0.942151
H -1.862056 1.440216 1.749022
H -1.625232 -0.312618 2.024275
H -5.484689 -0.486031 -1.347002
H -4.007368 -0.757195 -2.324628
H -3.618869 -1.893635 1.705796
H -5.232653 -1.233898 1.287700
H -5.960338 2.415945 0.016310
H -5.797818 1.933464 1.728622
H -6.359915 0.739871 0.514268
H 0.140439 1.696715 -0.105948
H -3.975210 -3.115927 -1.732790
H -5.395754 -3.019682 -0.630301
H -3.803156 -3.599243 -0.019908
H 4.184546 2.947775 -0.085022
H 3.245622 -2.399798 0.012526
H 6.696934 1.342754 -0.032802
H 5.730790 -2.908377 0.043645
H 7.407066 -1.063472 0.021206


