%chk=000104273.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104273

0 1
 O   0.1863000      0.9868000      -1.272600    
 N   -3.540200      1.7500000E-02  0.5066000    
 N    1.214000     -0.7401000     -0.1070000    
 N    3.490800     -0.2393000      0.4761000    
 C   -2.342600      0.4612000     -0.1960000    
 C   -1.145300     -0.3939000      0.2050000    
 C    2.559700     -0.5377000     -0.6192000    
 C   0.1347000      4.8000000E-02 -0.4827000    
 C   -3.861300      -1.367200      0.1551000    
 C   -4.672500      0.8938000      0.2008000    
 C    3.121800      0.9926000       1.178800    
 C    4.854500     -0.1216000     -4.5000002E-02
 H   -2.481600      0.4321000      -1.285100    
 H   -2.126600       1.505100      6.6600002E-02
 H   -1.282300      -1.443600     -7.6700002E-02
 H  -0.9858000     -0.3464000       1.289300    
 H    2.838800      -1.481100      -1.101500    
 H    2.560300      0.2506000      -1.381000    
 H    1.072400      -1.499000      0.5530000    
 H   -4.838700      -1.647500      0.5670000    
 H   -3.156500      -2.076400      0.5994000    
 H   -3.900700      -1.526400     -0.9286000    
 H   -5.558100      0.5935000      0.7720000    
 H   -4.927800      0.8823000     -0.8651000    
 H   -4.449700       1.926600      0.4915000    
 H    2.152000      0.8931000       1.677700    
 H    3.080000       1.855800      0.5046000    
 H    3.846400       1.213000       1.971300    
 H    5.565900      4.7400001E-02  0.7711000    
 H    4.953700      0.6985000     -0.7656000    
 H    5.159500      -1.052100     -0.5371000    


%chk=000104273-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104273

0 1
O 0.127877 1.568919 -0.838466
N -3.679748 0.022720 0.337115
N 1.206513 -0.411571 -0.253122
N 3.542003 -0.250276 0.335988
C -2.438177 0.239962 -0.441510
C -1.172066 -0.153945 0.347492
C 2.539169 -0.017293 -0.723924
C 0.093981 0.416007 -0.305938
C -3.981252 -1.403598 0.572772
C -4.831318 0.730618 -0.260970
C 3.446569 0.720207 1.447002
C 4.916464 -0.388705 -0.184113
H -2.455556 -0.307654 -1.420223
H -2.353689 1.315946 -0.675168
H -1.087236 -1.250528 0.466520
H -1.266802 0.284339 1.360795
H 2.832900 -0.626310 -1.601145
H 2.450568 1.043711 -1.049350
H 1.140857 -1.324424 0.202578
H -4.900645 -1.490027 1.179105
H -3.163185 -1.883032 1.137755
H -4.135823 -1.983839 -0.374233
H -5.714198 0.623858 0.394979
H -5.110021 0.350813 -1.277407
H -4.598970 1.806355 -0.350628
H 2.403709 0.773771 1.803098
H 3.765054 1.750806 1.154968
H 4.080536 0.385030 2.287149
H 5.589923 -0.688547 0.638544
H 5.324335 0.551549 -0.631646
H 4.949329 -1.179262 -0.955316


