%chk=000080643.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080643

0 1
 O  -0.6093000     -0.3350000     -1.1900000E-02
 N   -4.253000      0.1710000      2.3100000E-02
 C    1.785100     -0.3482000     -2.1000000E-02
 C   0.5305000      0.5134000     -9.7000003E-03
 C    3.052500      0.5016000     -3.1999999E-03
 C   -1.817400      0.4134000     -1.7000000E-03
 C    4.302600     -0.3630000      2.9200001E-02
 C   -2.991000     -0.5531000     -4.8000002E-03
 H    1.774500     -0.9968000     -0.9059000    
 H    1.768200      -1.022500      0.8445000    
 H   0.5160000       1.144100      0.8870000    
 H   0.5104000       1.158500     -0.8960000    
 H    3.049000       1.158100      0.8747000    
 H    3.081500       1.145500     -0.8898000    
 H   -1.846800       1.044000      0.8953000    
 H   -1.855900       1.059100     -0.8875000    
 H    4.320100     -0.9944000      0.9233000    
 H    4.353600      -1.011800     -0.8511000    
 H    5.198300      0.2659000      4.0100001E-02
 H   -2.947300      -1.188500     -0.8964000    
 H   -2.924800      -1.225100      0.8586000    
 H   -4.307900      0.7348000      0.8703000    
 H   -5.023900     -0.4938000      7.2099999E-02


%chk=000080643-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080643

0 1
O -0.618545 -0.310844 0.042126
N -4.320422 0.125234 0.096472
C 1.807701 -0.325511 0.018940
C 0.559451 0.562191 0.001884
C 3.118287 0.494564 -0.014076
C -1.877621 0.440251 0.023854
C 4.376150 -0.400880 -0.000875
C -3.025041 -0.579634 0.044965
H 1.768659 -1.010757 -0.849982
H 1.781216 -0.959414 0.926503
H 0.554047 1.248821 0.880356
H 0.536484 1.189704 -0.919092
H 3.145511 1.182642 0.855687
H 3.130359 1.135412 -0.919521
H -1.937314 1.110987 0.913240
H -1.952455 1.073034 -0.886385
H 4.403980 -1.029845 0.908717
H 4.388681 -1.077395 -0.875994
H 5.302485 0.201991 -0.024899
H -2.982127 -1.172424 -0.886292
H -2.847592 -1.287346 0.886988
H -4.533530 0.565209 0.995670
H -5.113365 -0.398789 -0.279085


