%chk=000127734.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127734

0 1
 O   -2.066500     -0.5373000      0.9810000    
 O   -1.776600       2.359100      -1.113400    
 O   -4.045100       1.567100      0.1771000    
 O   -2.985500      -3.059500      0.1678000    
 O   0.8946000       2.296600      0.8733000    
 N   6.4900003E-02  0.2029000      0.3694000    
 N    2.429000      0.6828000      0.4340000    
 N    3.996000     -0.9748000     -1.8900000E-02
 N    4.952300       0.000000      0.1059000    
 C   -1.930600      0.9833000     -0.8314000    
 C   -3.380700      0.5963000     -0.6313000    
 C   -1.312200      0.5863000      0.4980000    
 C   -3.259500     -0.6862000      0.1804000    
 C   -3.099800      -1.931400     -0.6817000    
 C   0.3621000      -1.108700      3.2600001E-02
 C    1.123900       1.123200      0.5748000    
 C    1.610200      -1.551300     -0.1087000    
 C    2.692100     -0.5576000      0.1162000    
 C    5.731500      9.3000000E-03  -1.125100    
 H   -1.497600      0.4098000      -1.659700    
 H   -3.946200      0.4880000      -1.561100    
 H   -1.396800       1.395700       1.233100    
 H   -4.093700     -0.8176000      0.8789000    
 H   -2.220200      -1.890700      -1.328600    
 H   -3.983700      -2.067600      -1.313600    
 H   -2.274600       2.547900      -1.927000    
 H   -4.016900       2.411300     -0.3047000    
 H  -0.4478000      -1.804500     -0.1195000    
 H   -2.898300      -3.841200     -0.4038000    
 H    1.850100      -2.573300     -0.3701000    
 H    4.261400      -1.933400     -0.2197000    
 H    5.561600     -0.2386000      0.8875000    
 H    6.226700     -0.9522000      -1.301600    
 H    6.508700      0.7770000      -1.055900    
 H    5.106800      0.2532000      -1.991700    


%chk=000127734-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127734

0 1
O -2.142145 -0.686228 1.002843
O -1.823705 2.591088 -0.457442
O -4.122002 1.561301 0.357416
O -2.836469 -3.065819 -0.343383
O 0.753489 2.138997 0.092701
N 0.112220 -0.085804 0.421517
N 2.423141 0.491799 0.025232
N 4.049373 -1.173158 -0.043510
N 5.088581 -0.205401 -0.184445
C -1.881687 1.150531 -0.569739
C -3.367535 0.702159 -0.540847
C -1.274243 0.426996 0.675152
C -3.292848 -0.719811 0.047930
C -3.085249 -1.792604 -1.029712
C 0.420190 -1.428225 0.496733
C 1.124265 0.916099 0.169592
C 1.725282 -1.853489 0.328506
C 2.720352 -0.832988 0.091630
C 5.355582 0.131887 -1.613728
H -1.380046 0.790893 -1.491462
H -3.814886 0.714462 -1.556173
H -1.221381 1.125955 1.531132
H -4.179220 -0.952588 0.658696
H -2.229303 -1.528638 -1.688824
H -4.007022 -1.838878 -1.648652
H -0.854415 2.789578 -0.245776
H -3.658917 2.447052 0.336625
H -0.424489 -2.095760 0.693817
H -2.893566 -3.807307 -0.996615
H 1.976952 -2.914370 0.384224
H 4.360013 -2.129804 0.125332
H 4.777725 0.638394 0.326059
H 5.740447 -0.760058 -2.136073
H 6.141647 0.906408 -1.630634
H 4.459466 0.511232 -2.145623


