%chk=000046749.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046749

1 1
 O   0.7971000      0.9590000     -0.1366000    
 N   -2.635100     -0.5298000     -5.4600000E-02
 C   -1.532500      0.3651000     -0.6018000    
 C  -0.5296000      0.8010000      0.3901000    
 C   -1.561900       1.761300     -0.1232000    
 C   -3.991200      3.5900000E-02 -0.4508000    
 C   -2.533800     -0.5893000       1.462700    
 C   -2.483000      -1.931100     -0.6287000    
 C    1.727800      1.4300000E-02  0.3933000    
 C    3.098500      0.2817000     -0.2119000    
 C    4.143100     -0.7057000      0.3005000    
 C    5.500700     -0.4624000     -0.3390000    
 H   -1.239800      0.1991000      -1.631800    
 H  -0.5746000      0.6790000       1.462000    
 H   -1.235300       2.535900     -0.8096000    
 H   -2.306100       2.117000      0.5765000    
 H   -4.762900     -0.6762000     -0.1420000    
 H   -4.153700      0.9921000      5.2700002E-02
 H   -4.007400      0.1623000      -1.537600    
 H   -3.361500      -1.219000       1.811200    
 H   -1.603900      -1.087500       1.755100    
 H   -2.669700      0.3995000       1.908600    
 H   -3.265200      -2.568000     -0.2051000    
 H   -2.585100      -1.871900      -1.716500    
 H   -1.492200      -2.308200     -0.3575000    
 H    1.388700     -0.9981000      0.1456000    
 H    1.768500      0.1185000       1.483700    
 H    3.403400       1.310700      1.5900001E-02
 H    3.027400      0.2258000      -1.305500    
 H    3.824200      -1.731900      8.3499998E-02
 H    4.235700     -0.6181000       1.389200    
 H    5.448500     -0.5771000      -1.426400    
 H    5.863800      0.5460000     -0.1166000    
 H    6.233700      -1.179500      4.3299999E-02


%chk=000046749-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046749

1 1
O 0.848003 1.103492 0.106904
N -2.686352 -0.519903 0.031483
C -1.547817 0.434294 -0.321539
C -0.451886 0.944975 0.644760
C -1.516188 1.900341 0.117431
C -3.901970 -0.161321 -0.829409
C -3.079964 -0.450704 1.504556
C -2.232467 -1.945911 -0.289976
C 1.763763 -0.043560 0.376478
C 3.133988 0.310948 -0.199417
C 4.172069 -0.813391 0.036450
C 5.553547 -0.463049 -0.556201
H -1.201754 0.236941 -1.342093
H -0.503807 0.672209 1.710340
H -1.218670 2.624828 -0.645425
H -2.237310 2.284662 0.844956
H -4.714106 -0.878190 -0.630347
H -4.223188 0.859891 -0.577623
H -3.611864 -0.205397 -1.889865
H -3.941027 -1.116672 1.667178
H -2.234708 -0.782912 2.123439
H -3.361376 0.579599 1.763782
H -3.036835 -2.650738 -0.028470
H -2.009040 -2.016777 -1.365202
H -1.325857 -2.167172 0.292710
H 1.350832 -0.958778 -0.103516
H 1.819503 -0.208100 1.473871
H 3.485362 1.251080 0.265533
H 3.032036 0.506490 -1.283951
H 3.807473 -1.759105 -0.414614
H 4.275435 -1.001545 1.124268
H 5.490186 -0.301434 -1.648185
H 5.959582 0.459575 -0.102311
H 6.281007 -1.274268 -0.377295


