%chk=000048269.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048269

0 1
 O   0.6078000      -2.575400     -6.5200001E-02
 O  -0.1662000     -0.7476000       1.109800    
 O   -5.553100       2.030400      0.4488000    
 N    2.780700      0.1361000     -0.2493000    
 C    2.545800       1.411300     -0.9652000    
 C    2.539000       2.589900      2.9200001E-02
 C    4.049600      0.1718000      0.4992000    
 C    3.819900       2.647700      0.8517000    
 C    4.073900       1.306100       1.521000    
 C    2.786200      -1.020800      -1.149500    
 C    1.214600       1.424200      -1.730300    
 C    2.970600      -2.309400     -0.3545000    
 C    1.838700      -2.517500      0.6425000    
 C  -0.3197000      -1.622100      0.2678000    
 C   -1.560600      -1.823800     -0.5688000    
 C   -2.626800     -0.7942000     -0.2969000    
 C   -3.574200      -1.037300      0.6863000    
 C   -2.644000      0.3803000      -1.034600    
 C   -4.561200     -8.4399998E-02  0.9379000    
 C   -3.631000       1.333500     -0.7831000    
 C   -4.589700       1.101100      0.2032000    
 H    3.353600       1.577800      -1.691500    
 H    2.420400       3.536800     -0.5115000    
 H    1.679000       2.502000      0.7067000    
 H    4.903900      0.2704000     -0.1835000    
 H    4.207800     -0.7277000       1.098300    
 H    4.664700       2.901200      0.1996000    
 H    3.746700       3.437600       1.607100    
 H    3.311000       1.128000       2.289600    
 H    5.043600       1.326300       2.031400    
 H    1.850100      -1.097100      -1.710700    
 H    3.590900     -0.9351000      -1.891300    
 H   0.3810000       1.155900      -1.074400    
 H    1.010800       2.422900      -2.133100    
 H    1.222400      0.7401000      -2.583900    
 H    3.950000      -2.410300      0.1201000    
 H    2.928900      -3.131200      -1.083200    
 H    1.860400      -1.768900       1.441500    
 H    1.972300      -3.490500       1.128700    
 H   -1.276300      -1.786600      -1.627500    
 H   -1.956400      -2.826900     -0.3694000    
 H   -3.559300      -1.956300       1.265300    
 H   -1.906200      0.5689000      -1.808700    
 H   -5.302000     -0.2772000       1.709200    
 H   -3.648700       2.254400      -1.359600    
 H   -6.130300       1.705400       1.161100    


%chk=000048269-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048269

0 1
O 0.386781 -2.374716 -0.299982
O -0.869625 -2.765744 1.624456
O -4.808705 2.528205 0.014993
N 2.950325 0.286916 -0.224904
C 2.416897 1.589565 -0.745589
C 2.492411 2.656881 0.377410
C 4.349646 0.432064 0.262478
C 3.916507 2.822738 0.947286
C 4.457465 1.453935 1.408797
C 2.830246 -0.858447 -1.165130
C 0.960435 1.473119 -1.244809
C 2.810585 -2.223650 -0.435277
C 1.636463 -2.357137 0.531783
C -0.807263 -2.569213 0.387932
C -2.005177 -2.487630 -0.555364
C -2.754966 -1.165675 -0.386741
C -3.431972 -0.867815 0.822516
C -2.778842 -0.206008 -1.430199
C -4.122098 0.352009 0.984724
C -3.465403 1.017037 -1.284040
C -4.138759 1.293464 -0.073256
H 3.059010 1.947330 -1.597061
H 2.126286 3.620366 -0.027155
H 1.800042 2.350603 1.187007
H 5.028804 0.748565 -0.574560
H 4.706474 -0.554354 0.609996
H 4.584150 3.234994 0.162149
H 3.915915 3.547930 1.783290
H 3.866304 1.090361 2.271509
H 5.513197 1.535109 1.733098
H 1.882631 -0.769870 -1.718055
H 3.655987 -0.860145 -1.920886
H 0.337348 0.947239 -0.498860
H 0.540499 2.484942 -1.391106
H 0.871337 0.941884 -2.208505
H 3.743363 -2.373444 0.142482
H 2.767103 -3.034646 -1.187590
H 1.583447 -1.488333 1.210675
H 1.670521 -3.289753 1.122575
H -1.657482 -2.604679 -1.593869
H -2.669838 -3.335503 -0.307954
H -3.403612 -1.589059 1.646809
H -2.254430 -0.415190 -2.370158
H -4.641750 0.566915 1.927912
H -3.489476 1.759445 -2.087040
H -5.242179 2.629195 0.898514


