%chk=000082653.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082653

0 1
 O   -4.654500      0.2609000      0.2129000    
 O   -3.675400      -1.428600     -0.9630000    
 O    3.810900      0.2424000      -1.419400    
 N    2.897300      6.2100001E-02  0.7163000    
 C   0.5947000      0.5557000      8.0700003E-02
 C   4.2399999E-02 -0.5257000       1.019100    
 C  -0.4229000       1.689200     -0.1053000    
 C   -2.317100      7.9400003E-02  0.3485000    
 C   -1.307800      -1.052900      0.5383000    
 C   -1.773800       1.161900     -0.5845000    
 C    1.920000       1.102100      0.6087000    
 C   -3.593200     -0.4649000     -0.2160000    
 C    3.769000     -0.2863000     -0.3116000    
 C    4.710400      -1.395300      7.5199999E-02
 H   0.7724000      9.3099996E-02 -0.9004000    
 H  -6.9300003E-02 -0.1205000       2.033100    
 H   0.7363000      -1.371400       1.089400    
 H  -4.2300001E-02   2.417900     -0.8310000    
 H  -0.5609000       2.226400      0.8418000    
 H   -2.529000      0.5117000       1.335600    
 H   -1.159000      -1.597600     -0.4034000    
 H   -1.694300      -1.783600       1.259700    
 H   -2.485800       1.993600     -0.6518000    
 H   -1.668400      0.7644000      -1.602600    
 H    1.796500       1.542100       1.604400    
 H    2.302500       1.882500     -5.9000000E-02
 H    2.958300     -0.4383000       1.598400    
 H   -5.501000     -7.9400003E-02 -0.1478000    
 H    5.174800      -1.813200     -0.8222000    
 H    5.487800     -0.9982000      0.7335000    
 H    4.168500      -2.193100      0.5913000    


%chk=000082653-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000082653

0 1
O -4.746064 0.505390 0.024335
O -3.927916 -1.475744 -0.863262
O 3.836986 0.464914 -1.322295
N 2.986160 0.004753 0.791881
C 0.578761 0.469095 0.150853
C -0.047858 -0.597651 1.082093
C -0.416586 1.633902 -0.075638
C -2.392246 0.065392 0.334225
C -1.407342 -1.106906 0.551884
C -1.775218 1.137938 -0.619048
C 1.920700 1.016618 0.698250
C -3.715512 -0.419030 -0.227641
C 3.881905 -0.208207 -0.247028
C 4.926340 -1.296466 -0.007559
H 0.790249 -0.000578 -0.832232
H -0.187072 -0.156852 2.093564
H 0.643430 -1.455803 1.194859
H 0.016555 2.365805 -0.785095
H -0.578803 2.171327 0.883181
H -2.604523 0.563908 1.301170
H -1.267075 -1.639257 -0.408065
H -1.842511 -1.839969 1.257172
H -2.478028 1.983557 -0.731840
H -1.630461 0.687265 -1.621190
H 1.764059 1.461269 1.701325
H 2.292496 1.806274 0.020449
H 3.048611 -0.574089 1.629572
H -5.589060 0.172647 -0.388933
H 4.823758 -2.073230 -0.784946
H 5.932715 -0.857197 -0.116867
H 4.850647 -1.772674 0.985729


