%chk=000049307.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049307

0 1
 O   0.2746000      0.1763000       2.392600    
 O   0.2296000      0.2756000      -2.411300    
 O   -3.401200      -1.144300     -3.5000001E-03
 N   -1.543600     -0.4717000       1.165200    
 N   -1.564800     -0.4259000      -1.178200    
 C   0.4607000      0.3444000     -8.6000003E-03
 C    1.795200     -0.4128000     -4.0800001E-02
 C   0.6881000       1.829800      2.5100000E-02
 C    1.569700      -1.917800     -2.7000001E-03
 C  -0.2533000      1.2300000E-02   1.290700    
 C  -0.2775000      6.4900003E-02  -1.307600    
 C  -0.5405000       2.685100      0.1203000    
 C    2.892400      -2.667100     -9.8000001E-03
 C   -2.248400     -0.7087000     -5.2000000E-03
 C    1.919000       2.360000     -2.6300000E-02
 H    2.421600     -0.1552000      0.8247000    
 H    2.369800     -0.1833000     -0.9488000    
 H   0.9822000      -2.247100     -0.8669000    
 H    1.017900      -2.215200      0.8955000    
 H   -2.029800     -0.6831000       2.032200    
 H   -2.066900     -0.6029000      -2.043800    
 H   -1.219100       2.508900     -0.7197000    
 H   -1.083900       2.509100       1.053500    
 H  -0.2876000       3.751500      0.1007000    
 H    3.469300      -2.439000     -0.9118000    
 H    3.499100      -2.403900      0.8627000    
 H    2.716000      -3.747200      1.4500000E-02
 H    2.041300       3.439900      1.7000000E-03
 H    2.844100       1.805100     -0.1004000    


%chk=000049307-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049307

0 1
O 0.276041 0.079920 2.449965
O 0.220509 0.134033 -2.428456
O -3.530733 -1.042017 0.041066
N -1.598743 -0.432544 1.207309
N -1.626451 -0.404126 -1.155255
C 0.486824 0.353089 0.010759
C 1.820555 -0.460695 -0.013913
C 0.701946 1.897459 0.026023
C 1.625036 -1.993905 -0.029631
C -0.260108 -0.007300 1.317645
C -0.290114 0.022680 -1.286488
C -0.563534 2.739912 0.049971
C 2.978630 -2.735673 -0.050590
C -2.337944 -0.649892 0.031755
C 1.935459 2.457677 0.018996
H 2.402093 -0.174602 0.881008
H 2.382197 -0.153433 -0.914520
H 1.034787 -2.291741 -0.919344
H 1.051651 -2.312163 0.864076
H -2.091612 -0.638782 2.082975
H -2.139425 -0.590311 -2.023836
H -1.201659 2.547598 -0.834300
H -1.176374 2.533898 0.949049
H -0.316245 3.813978 0.054835
H 3.566263 -2.462858 -0.946972
H 3.582638 -2.482874 0.840753
H 2.834787 -3.831075 -0.061554
H 2.048516 3.547693 0.029849
H 2.859009 1.873754 0.002824


