%chk=000097590.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097590

0 1
 O    1.668300      0.3290000     -0.6575000    
 O   -3.610300      8.2699999E-02  0.8356000    
 O   0.3115000       1.503700      0.7971000    
 N   -1.851600      0.8318000     -0.5164000    
 C  -0.6331000      0.3001000      -1.057900    
 C  -0.8247000      -1.202100     -0.9727000    
 C   -1.790900      -1.394000      0.1959000    
 C   -2.566700     -0.1000000      0.2281000    
 C   0.4764000      0.7930000     -0.1851000    
 C    2.682200      0.1207000      0.3308000    
 C    2.192500     -0.8875000       1.357600    
 C    3.946300     -0.3774000     -0.3553000    
 H  -0.4995000      0.6700000      -2.078300    
 H   9.6900001E-02  -1.776100     -0.8443000    
 H   -1.308600      -1.558100      -1.891300    
 H   -1.254500      -1.506500       1.143200    
 H   -2.456000      -2.246200      3.7400000E-02
 H   -2.145000       1.797500     -0.6269000    
 H    2.907200       1.077700      0.8175000    
 H    2.983000      -1.125800       2.077100    
 H    1.334700     -0.5203000       1.928500    
 H    1.876800      -1.818900      0.8751000    
 H    4.756200     -0.5356000      0.3633000    
 H    4.281800      0.3468000      -1.105600    
 H    3.759000      -1.316300     -0.8880000    


%chk=000097590-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097590

0 1
O 1.663793 -0.104548 -0.433292
O -3.993610 0.691583 0.230786
O 0.300292 1.002611 1.113618
N -1.865614 0.864249 -0.774155
C -0.655144 0.076627 -0.995085
C -1.176006 -1.399294 -0.832953
C -2.424274 -1.265622 0.071601
C -2.898044 0.186948 -0.124443
C 0.450944 0.397750 0.028983
C 2.870324 0.060998 0.467071
C 2.860917 -1.061131 1.513976
C 4.078347 0.034594 -0.470215
H -0.230561 0.230432 -2.002498
H -0.395558 -2.060514 -0.424654
H -1.460496 -1.781133 -1.828211
H -2.187068 -1.403606 1.142424
H -3.234809 -1.965362 -0.185488
H -1.897349 1.878265 -0.885822
H 2.761942 1.043667 0.963131
H 3.748522 -0.972134 2.166660
H 1.962513 -0.998681 2.150818
H 2.890728 -2.050456 1.023561
H 5.006671 0.177099 0.111927
H 4.011975 0.839086 -1.222235
H 4.143467 -0.933228 -0.997607


