%chk=000096890.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096890

0 1
 O   0.8619000     -0.7796000     -5.2999998E-03
 N    4.295600      0.5444000     -3.8999999E-03
 N  -0.6431000      0.9872000     -6.9999998E-04
 C    1.868600      0.2254000     -6.0999999E-03
 C    3.231500     -0.4483000      1.3900000E-02
 C  -0.4391000     -0.3491000     -2.4999999E-03
 C   -1.456900      -1.289300     -1.5000000E-03
 C   -2.768600     -0.8282000      1.1000000E-03
 C   -3.018800      0.5397000      2.9000000E-03
 C   -1.931100       1.397900      2.0000001E-03
 H    1.774400      0.8424000     -0.9093000    
 H    1.762500      0.8626000      0.8815000    
 H    3.323700      -1.075100      0.9080000    
 H    3.330000      -1.119500     -0.8470000    
 H   -1.244900      -2.352900     -2.9000000E-03
 H   -3.594300      -1.533300      1.9000000E-03
 H    4.230700       1.103800     -0.8533000    
 H    5.198200      7.2700001E-02 -4.1099999E-02
 H   -4.033200      0.9218000      4.9999999E-03
 H   -2.072400       2.473700      3.4000000E-03


%chk=000096890-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096890

0 1
O 0.856295 -0.746545 -0.005550
N 4.367076 0.480419 -0.103743
N -0.707763 1.033732 -0.002244
C 1.928356 0.283680 0.005919
C 3.254490 -0.484428 -0.065387
C -0.455807 -0.299963 0.000190
C -1.470966 -1.296152 0.005569
C -2.808974 -0.866281 0.008807
C -3.098519 0.524777 0.006364
C -2.017386 1.428019 0.000369
H 1.792880 0.960474 -0.858741
H 1.861831 0.886727 0.927489
H 3.355639 -1.103574 0.844024
H 3.217105 -1.184422 -0.931499
H -1.193584 -2.353279 0.007440
H -3.619965 -1.602359 0.013620
H 4.473064 0.989248 -0.984547
H 5.255231 0.142018 0.269383
H -4.128236 0.893170 0.009574
H -2.186068 2.511041 -0.000937


