%chk=000090177.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090177

0 1
 O    3.237900       1.657600      8.9900002E-02
 O   -2.628100       1.620600     -0.3439000    
 O  -0.5929000       2.249900      0.1862000    
 N   0.2233000     -0.4604000     -0.2347000    
 N   -1.847000     -0.9864000      0.3734000    
 N   -1.433400       1.333300     -4.4599999E-02
 C    1.356700      0.3416000     -0.6369000    
 C   0.2196000      -1.814600     -5.1600002E-02
 C   -1.038800     -7.4000000E-03  3.2200001E-02
 C    2.164800      0.8469000      0.5507000    
 C   -1.068600      -2.115600      0.3238000    
 C    1.406300      -2.665600     -0.2445000    
 H    1.997000     -0.2653000      -1.288100    
 H    1.018000       1.159300      -1.281900    
 H    1.565000       1.433000       1.252700    
 H    2.595000      1.1900000E-02   1.113000    
 H   -1.477700      -3.087100      0.5610000    
 H    2.241800      -2.331600      0.3781000    
 H    1.188200      -3.703500      2.8700000E-02
 H    1.725500      -2.661100      -1.291600    
 H    2.850400       2.410900     -0.3877000    


%chk=000090177-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090177

0 1
O 3.358739 1.621631 0.121075
O -2.769759 1.617980 0.104862
O -0.601968 2.270598 -0.234629
N 0.218678 -0.451946 -0.261011
N -1.900403 -1.036628 0.383172
N -1.520121 1.358427 -0.035390
C 1.410258 0.333052 -0.657070
C 0.214494 -1.839303 -0.071486
C -1.087297 -0.018359 0.033422
C 2.140813 0.942132 0.565477
C -1.101259 -2.165017 0.323432
C 1.407740 -2.718019 -0.293838
H 2.103662 -0.336918 -1.192174
H 1.096535 1.138435 -1.338392
H 1.459533 1.623318 1.109120
H 2.483863 0.147020 1.248870
H -1.496346 -3.149326 0.564337
H 2.283723 -2.397570 0.299511
H 1.159359 -3.749703 0.002426
H 1.715127 -2.740781 -1.356638
H 3.127630 2.517376 -0.230876


