%chk=000149673.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149673

0 1
 O   0.2564000       2.127100      -1.077800    
 O   -2.882700      -2.636200      0.2333000    
 O  -0.8744000      -1.918200     -0.2867000    
 N    2.407700     -0.3816000      0.5885000    
 N   -1.792700      0.7136000      0.3804000    
 N   -3.779200     -9.8000001E-03 -0.2375000    
 N   -2.084900      -1.684000     -4.6999999E-03
 C    3.812200     -0.3444000      0.9710000    
 C    3.346800      -1.183900     -0.1827000    
 C    2.027500      0.8502000     -8.9599997E-02
 C    4.565000      0.9038000      0.7005000    
 C    3.743500     -0.8163000      -1.564000    
 C   0.5429000      0.8656000     -0.4693000    
 C  -0.3759000      0.7009000      0.7478000    
 C   -2.544600     -0.3629000      4.4000000E-02
 C   -2.567500       1.823800      0.3167000    
 C   -3.800000       1.352200     -7.0000000E-02
 H    4.072000     -0.8284000       1.901500    
 H    3.250700      -2.252900     -4.3400001E-02
 H    2.562100       1.134300      -1.000600    
 H    2.167500       1.696800      0.5995000    
 H    4.402700       1.608300       1.525500    
 H    5.635600      0.6645000      0.7168000    
 H    4.405500       1.459400     -0.2239000    
 H    2.871300     -0.8102000      -2.228000    
 H    4.296300      0.1124000      -1.706400    
 H    4.406800      -1.601700      -1.947600    
 H   0.3441000      0.1007000      -1.226400    
 H  -0.2417000       1.544000       1.438800    
 H  -0.1796000     -0.2075000       1.324800    
 H   0.4321000       2.824800     -0.4234000    
 H   -2.204900       2.817700      0.5391000    
 H   -4.701200       1.924200     -0.2359000    


%chk=000149673-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149673

0 1
O 0.183361 2.600041 -0.934117
O -2.219902 -2.824765 -0.757916
O -0.253723 -1.714371 -0.375326
N 2.446381 0.208721 0.925108
N -1.710928 0.624312 0.311726
N -3.584703 -0.367300 -0.560852
N -1.558281 -1.762567 -0.469456
C 3.907597 -0.207586 1.021031
C 2.928249 -1.042010 0.196713
C 2.077449 1.418030 0.151890
C 5.047263 0.590480 0.399861
C 2.992329 -1.159622 -1.319952
C 0.611832 1.322969 -0.335988
C -0.336614 0.880334 0.799706
C -2.281573 -0.533875 -0.242474
C -2.729931 1.567016 0.323670
C -3.871532 0.942721 -0.212851
H 4.149076 -0.585780 2.024015
H 2.535364 -1.949985 0.672121
H 2.705287 1.638958 -0.738098
H 2.176050 2.284672 0.841647
H 5.239656 1.518350 0.970924
H 5.972799 -0.013991 0.428567
H 4.867888 0.866611 -0.652501
H 2.003635 -1.456040 -1.713929
H 3.304778 -0.229516 -1.824987
H 3.714706 -1.948681 -1.600638
H 0.533413 0.599202 -1.161404
H -0.401007 1.668545 1.572814
H 0.080465 -0.027203 1.260174
H 0.416540 3.338535 -0.312907
H -2.565962 2.574911 0.694166
H -4.860561 1.365184 -0.370438


