%chk=000028758.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028758

0 1
 O    1.741200       2.868200       1.487000    
 O   -7.889500     -0.9608000     -0.6994000    
 O    4.708400      0.4821000      -2.418500    
 O    4.628200      -1.751100       1.817800    
 O    5.728600      -1.440200     -0.7052000    
 N   -2.599000      0.5668000      0.2189000    
 N   0.1461000       1.370600      0.6696000    
 C   -1.550800     -0.4348000      0.4318000    
 C   -2.224200       1.982600      0.2724000    
 C  -0.1879000      0.1084000      2.4000001E-03
 C  -0.9788000       2.177100       1.134100    
 C   -3.919000      0.1861000     -1.0100000E-02
 C    1.447600       1.812000      0.9284000    
 C    2.568100      0.9594000      0.4998000    
 C   -4.787600      0.9762000     -0.7999000    
 C   -4.446600      -1.007100      0.5371000    
 C    3.074400     -4.1999999E-03   1.367300    
 C    3.115600       1.122700     -0.7694000    
 C   -6.109400      0.5943000      -1.029200    
 C   -5.768400      -1.389000      0.3075000    
 C   -6.599800     -0.5883000     -0.4756000    
 C    4.178800      0.3155000      -1.174400    
 C    4.137700     -0.8111000      0.9623000    
 C    4.689800     -0.6513000     -0.3086000    
 C   -8.325900      -2.181300     -0.1031000    
 C    4.137800     -0.2888000      -3.474200    
 C    4.040200      -3.049200       1.760900    
 C    7.044100     -0.9647000     -0.4298000    
 H   -1.751800      -1.341800     -0.1513000    
 H   -1.525600     -0.7116000       1.492900    
 H   -3.033100       2.584600      0.7038000    
 H   -2.034900       2.345100     -0.7454000    
 H  -0.1848000      0.3150000      -1.074900    
 H   0.5801000     -0.6454000      0.1941000    
 H   -1.179100       1.874600       2.169400    
 H  -0.6946000       3.234900       1.153500    
 H   -4.435100       1.897900      -1.257300    
 H   -3.829900      -1.648300       1.163200    
 H    2.646200     -0.1301000       2.358800    
 H    2.719400       1.876100      -1.445800    
 H   -6.751800       1.220500      -1.642300    
 H   -6.085500      -2.317500      0.7698000    
 H   -8.293400      -2.129000      0.9904000    
 H   -7.771400      -3.041100     -0.4943000    
 H   -9.374400      -2.322100     -0.3853000    
 H    4.248500      -1.359000      -3.273300    
 H    4.669700     -4.9600001E-02  -4.399100    
 H    3.080200     -3.7999999E-02  -3.603400    
 H    4.540200      -3.684400       2.497100    
 H    2.975000      -2.998600       2.007700    
 H    4.175500      -3.490400      0.7683000    
 H    7.194200     -0.8488000      0.6482000    
 H    7.759900      -1.701400     -0.8047000    
 H    7.224000     -1.2300000E-02 -0.9382000    


%chk=000028758-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028758

0 1
O 1.412246 1.945012 2.453072
O -8.323264 -0.338287 -0.814357
O 4.003345 -0.225174 -2.475788
O 5.512051 -1.081160 2.168172
O 6.012333 -1.261649 -0.676572
N -2.815852 0.584934 0.238341
N -0.001666 1.100900 0.825517
C -1.821890 -0.499692 0.258822
C -2.319808 1.950987 0.484695
C -0.427028 0.041008 -0.118176
C -1.086757 1.935187 1.403535
C -4.176027 0.325459 -0.015550
C 1.252672 1.209285 1.423148
C 2.422319 0.471236 0.820957
C -5.083267 1.382044 -0.345008
C -4.703085 -0.997549 0.041313
C 3.391388 -0.050952 1.709135
C 2.630215 0.372660 -0.577609
C -6.440875 1.122381 -0.594395
C -6.066355 -1.260342 -0.222130
C -6.945805 -0.198974 -0.538706
C 3.804017 -0.227388 -1.075882
C 4.565246 -0.662810 1.218933
C 4.797393 -0.726260 -0.186094
C -8.876202 -1.689402 -0.760344
C 4.171041 -1.560746 -3.095477
C 6.031205 -2.461780 2.046414
C 6.926693 -0.230836 -1.234080
H -2.100168 -1.266795 -0.490057
H -1.770410 -1.006278 1.248978
H -3.105144 2.538038 0.996245
H -2.077707 2.483212 -0.462684
H -0.467054 0.429210 -1.156162
H 0.302795 -0.784448 -0.094229
H -1.362249 1.553099 2.406693
H -0.701887 2.959156 1.550001
H -4.724649 2.411985 -0.433806
H -4.058433 -1.836518 0.321518
H 3.255930 0.049252 2.789471
H 1.921460 0.787684 -1.299877
H -7.127830 1.935554 -0.849476
H -6.424409 -2.292920 -0.161380
H -8.771857 -2.131387 0.250998
H -8.393416 -2.356193 -1.502963
H -9.943098 -1.576843 -1.004785
H 5.026655 -2.098377 -2.650563
H 4.348895 -1.363934 -4.163550
H 3.245403 -2.154789 -2.971655
H 6.758477 -2.563875 2.865954
H 5.207600 -3.188887 2.183809
H 6.517412 -2.616855 1.069386
H 7.213705 0.484798 -0.442506
H 7.811452 -0.782463 -1.586667
H 6.441442 0.299881 -2.072778


