%chk=000078099.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078099

0 1
 O    1.916000       1.118500      1.8700000E-02
 O    1.094700      -1.058500      0.3339000    
 N   -4.058700     -0.4556000      5.8899999E-02
 C   0.8243000      0.3372000      0.5213000    
 C  -0.4479000      0.7200000     -0.2101000    
 C   -1.647900     -8.2199998E-02  0.2947000    
 C    2.981700      0.1809000     -0.1192000    
 C    2.269100      -1.094600     -0.4765000    
 C   -2.931300      0.3343000     -0.4217000    
 H   0.7288000      0.5258000       1.596500    
 H  -0.6289000       1.795600     -9.4499998E-02
 H  -0.3215000      0.5428000      -1.286000    
 H   -1.475100      -1.154000      0.1364000    
 H   -1.760500      7.0500001E-02   1.375600    
 H    3.493500      0.1011000      0.8461000    
 H    3.692400      0.5098000     -0.8813000    
 H    1.955700      -1.099700      -1.526100    
 H    2.855400      -1.993100     -0.2695000    
 H   -3.133200       1.397400     -0.2503000    
 H   -2.825700      0.1843000      -1.501500    
 H   -4.914200     -0.1310000     -0.3898000    
 H   -4.184400     -0.3020000       1.058600    


%chk=000078099-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000078099

0 1
O 1.917719 1.111181 0.061808
O 1.181373 -1.143369 0.250642
N -4.183819 -0.335279 0.139236
C 0.798579 0.268866 0.527577
C -0.475464 0.682213 -0.204706
C -1.724835 -0.049440 0.330396
C 3.080507 0.209953 -0.098328
C 2.420645 -1.100766 -0.559406
C -3.006869 0.354500 -0.425239
H 0.693841 0.339890 1.630338
H -0.591899 1.778378 -0.087985
H -0.335848 0.479987 -1.283997
H -1.591133 -1.143288 0.249150
H -1.852485 0.180113 1.410408
H 3.608442 0.079216 0.867428
H 3.748579 0.671955 -0.841887
H 2.179815 -1.073561 -1.640383
H 2.998766 -2.007568 -0.320450
H -3.088067 1.471289 -0.418980
H -2.908848 0.050219 -1.485520
H -5.039588 -0.245997 -0.416372
H -4.347110 -0.130991 1.130468


