%chk=000085933.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085933

0 1
 O    1.773400      -1.045300      0.4798000    
 O    3.359400       1.552800       1.393600    
 O   -3.954800     -0.1352000      3.9299998E-02
 O   -6.190200     -0.2032000      -1.608400    
 O   0.3241000      -2.592300     -0.4389000    
 O   -2.504700       1.412400      0.9556000    
 N    4.428500     -4.7600001E-02  2.8800000E-02
 N    4.529800       2.135500     -0.5489000    
 C    5.258900     -8.8999998E-03  -1.162000    
 C    5.223600       1.445600      -1.606500    
 C    4.156600      -1.269200      0.7373000    
 C    4.023400       1.245600      0.4125000    
 C    2.878400      -1.925200      0.2479000    
 C   -6.337200      7.5300001E-02 -0.2168000    
 C   -5.059800      0.7437000      0.2751000    
 C   -7.547600      0.9755000     -2.0500001E-02
 C   0.5594000      -1.514700      8.4299996E-02
 C  -0.4473000     -0.4785000      0.4041000    
 C   -1.733800     -0.7012000      0.1117000    
 C   -2.740200      0.3351000      0.4320000    
 H    6.272600     -0.3230000     -0.8933000    
 H    4.856400     -0.6836000      -1.923200    
 H    4.655800       1.576500      -2.532400    
 H    6.222000       1.873200      -1.730500    
 H    4.044100      -1.016700       1.797900    
 H    5.012700      -1.942900      0.6299000    
 H    4.380100       3.139100     -0.5223000    
 H    2.947400      -2.142600     -0.8245000    
 H    2.715000      -2.860500      0.7952000    
 H   -6.478600     -0.8832000      0.2944000    
 H   -5.132100      0.9622000       1.346800    
 H   -4.883600       1.673900     -0.2788000    
 H   -7.440300       1.907700     -0.5863000    
 H   -8.453700      0.4853000     -0.3927000    
 H   -7.693900       1.219500       1.036000    
 H  -0.1072000      0.4399000      0.8707000    
 H   -7.004600     -0.6429000      -1.906700    
 H   -2.073600      -1.619600     -0.3551000    


%chk=000085933-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085933

0 1
O 1.796443 -0.986069 0.706103
O 4.704039 1.641715 1.765753
O -4.082717 -0.170517 0.014186
O -6.255471 0.348139 -1.916485
O 0.416721 -2.561985 -0.333951
O -2.700830 1.434802 1.005201
N 4.515445 0.022500 0.023168
N 5.264099 2.075505 -0.513438
C 4.950371 -0.089723 -1.380148
C 5.082219 1.405083 -1.811389
C 4.221839 -1.115051 0.882828
C 4.811380 1.292862 0.558450
C 2.959744 -1.883756 0.484348
C -6.446882 0.097147 -0.474268
C -5.244996 0.737056 0.211125
C -7.770373 0.708126 0.026113
C 0.564803 -1.453979 0.240978
C -0.493791 -0.454747 0.529312
C -1.787775 -0.683156 0.174184
C -2.850040 0.315545 0.454934
H 5.925688 -0.618404 -1.453875
H 4.215639 -0.626438 -2.005853
H 4.160763 1.747263 -2.325180
H 5.941705 1.560808 -2.485553
H 4.114224 -0.712882 1.906666
H 5.066676 -1.840595 0.889262
H 5.367440 3.081109 -0.400678
H 2.964569 -2.205351 -0.573547
H 2.837414 -2.785251 1.113289
H -6.431935 -0.994574 -0.269221
H -5.411069 0.861774 1.296455
H -5.018505 1.721148 -0.235344
H -7.784492 1.798992 -0.147514
H -8.629804 0.267069 -0.511350
H -7.916858 0.519671 1.105849
H -0.198889 0.470805 1.035080
H -6.939205 -0.152105 -2.429198
H -2.079186 -1.610035 -0.331191


