%chk=000149877.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149877

0 1
 O    5.478200      0.8822000     -0.7490000    
 O   -5.779700       1.848800     -0.4804000    
 N   0.4923000      -1.091600      0.7244000    
 N  -0.5131000      -1.358700     -0.1207000    
 N   -5.630800      0.8238000      0.2016000    
 C    1.751600     -0.5935000      0.3526000    
 C   -1.808300     -0.8063000     -3.9200000E-02
 C    2.751500     -0.4198000       1.313700    
 C    2.012800     -0.2672000     -0.9814000    
 C    4.257800      0.4000000     -0.3881000    
 C    4.001800      7.5999998E-02  0.9443000    
 C    3.263200      0.2285000      -1.351100    
 C   -2.101500      0.1425000      0.9404000    
 C   -2.795900      -1.208800     -0.9383000    
 C   -3.382500      0.6886000       1.021100    
 C   -4.076900     -0.6624000     -0.8576000    
 C   -4.370100      0.2863000      0.1222000    
 C    6.449500       1.031500      0.2855000    
 H   0.3674000      -1.359000       1.694800    
 H  -0.3604000      -2.081300     -0.8159000    
 H    2.564700     -0.6682000       2.355600    
 H    1.258700     -0.3873000      -1.754700    
 H    4.728200      0.1846000       1.742500    
 H    3.456800      0.4795000      -2.390300    
 H   -1.353300      0.4777000       1.653600    
 H   -2.580100      -1.947000      -1.706500    
 H   -3.593200       1.427500       1.791200    
 H   -4.834600     -0.9881000      -1.567000    
 H    6.711400      6.7100003E-02  0.7338000    
 H    6.130300       1.764400       1.034400    
 H    7.359100       1.425300     -0.1796000    


%chk=000149877-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149877

0 1
O 5.287158 1.122392 -0.764741
O -6.308768 0.934438 -0.998732
N 0.459981 -1.242276 1.032490
N -0.549700 -1.555138 0.124496
N -5.423249 1.314843 -0.132816
C 1.686114 -0.675262 0.577916
C -1.744301 -0.837424 0.055416
C 2.843128 -0.773926 1.388736
C 1.763742 0.018950 -0.659880
C 4.132404 0.502710 -0.253597
C 4.060682 -0.183704 0.983530
C 2.977994 0.596703 -1.069670
C -2.000281 0.271503 0.914739
C -2.733566 -1.248740 -0.898442
C -3.222707 0.949070 0.816015
C -3.947577 -0.566542 -0.988941
C -4.206389 0.542099 -0.127616
C 6.497129 1.065188 0.056067
H 0.491184 -1.827391 1.872344
H -0.371150 -2.293149 -0.566531
H 2.798776 -1.310422 2.345058
H 0.873746 0.117529 -1.288937
H 4.936099 -0.273623 1.633568
H 3.051307 1.136027 -2.018911
H -1.231292 0.576717 1.628887
H -2.527299 -2.105486 -1.552794
H -3.450339 1.807929 1.457154
H -4.721558 -0.858057 -1.707796
H 6.830220 0.020225 0.214115
H 6.343454 1.556840 1.037072
H 7.259958 1.613078 -0.516299


