%chk=000096639.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096639

0 1
 O   -3.770100      -1.235100      0.8217000    
 O    3.242900      0.9034000      0.2321000    
 N    1.633500     -0.7880000     -9.5500000E-02
 C   -1.988300     -9.5899999E-02 -0.2662000    
 C   0.4217000     -9.6400000E-02 -9.5399998E-02
 C  -0.7774000     -0.7884000     -0.2665000    
 C   -2.000100       1.288400     -9.4800003E-02
 C   0.4097000       1.287900      7.5999998E-02
 C   -3.270500     -0.8356000     -0.4486000    
 C  -0.8012000       1.980300      7.6399997E-02
 C    2.925800     -0.2691000      6.0600001E-02
 C    3.974000      -1.351700      3.0000001E-04
 H  -0.7700000      -1.868200     -0.3984000    
 H   -2.937100       1.839000     -9.0800002E-02
 H    1.295400       1.892200      0.2137000    
 H   -4.020400     -0.2075000     -0.9422000    
 H   -3.126100      -1.727200      -1.068700    
 H  -0.8117000       3.058200      0.2102000    
 H    1.558900      -1.794700     -0.2263000    
 H    3.817700      -2.063000      0.8161000    
 H    4.969400     -0.9099000      9.9399999E-02
 H    3.912500      -1.874900     -0.9581000    
 H   -4.602700      -1.712000      0.6632000    


%chk=000096639-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096639

0 1
O -3.108576 -2.159481 -0.268624
O 3.279275 0.859689 0.114572
N 1.588369 -0.770102 0.023250
C -2.047343 0.026688 -0.197607
C 0.405165 0.023551 -0.052879
C -0.830421 -0.675110 -0.120522
C -2.035686 1.445174 -0.208278
C 0.422080 1.442057 -0.062627
C -3.371864 -0.716057 -0.266269
C -0.806725 2.134410 -0.140706
C 2.918430 -0.354900 0.101981
C 3.936223 -1.493011 0.179814
H -0.864286 -1.770257 -0.115098
H -2.977603 2.004448 -0.268910
H 1.375058 1.970598 -0.010551
H -3.998637 -0.432184 0.607637
H -3.916326 -0.414285 -1.187783
H -0.798062 3.230136 -0.149027
H 1.429522 -1.779990 0.020566
H 4.500674 -1.403677 1.124247
H 4.660818 -1.380780 -0.644773
H 3.490437 -2.501708 0.127102
H -3.964622 -2.653408 -0.287313


