%chk=000047819.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047819

0 1
 O    4.469600      0.3330000      0.8516000    
 N    1.866800      0.3207000     -0.2192000    
 N  -0.2315000       1.449500     -0.1345000    
 N   -1.589600       1.416800     -6.9399998E-02
 N   -3.630000      0.1878000      4.3499999E-02
 N   -4.307000     -0.9609000      0.3713000    
 C    2.696200     -0.8616000     -0.2426000    
 C   0.4834000      0.2877000     -0.1523000    
 C    4.162700     -0.4670000     -0.2834000    
 C  -0.1605000     -0.9478000     -0.1043000    
 C   -1.542400     -0.9811000     -3.7900001E-02
 C   -2.217600      0.2228000     -2.2700001E-02
 H    2.471200      -1.477100      -1.120900    
 H    2.520000      -1.454000      0.6634000    
 H    2.301300       1.236000     -0.2525000    
 H    4.388600      0.1200000      -1.179400    
 H    4.808900      -1.350100     -0.2767000    
 H   0.3710000      -1.893300     -0.1197000    
 H   -2.036000      -1.946600     -1.0200000E-02
 H   -4.113800       1.076600      8.7800004E-02
 H    4.282400     -0.1984000       1.644100    
 H   -5.243000     -0.9122000     -2.8800000E-02
 H   -4.434800     -0.9875000       1.382100    


%chk=000047819-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047819

0 1
O 4.619474 0.666612 0.468787
N 1.858362 0.218143 -0.152842
N -0.182060 1.314920 0.128417
N -1.544756 1.335241 0.217043
N -3.640039 0.320475 0.245506
N -4.511558 -0.769000 0.203006
C 2.774869 -0.914442 -0.112799
C 0.478391 0.111636 -0.038243
C 4.204365 -0.433682 -0.417147
C -0.226799 -1.132779 -0.095295
C -1.621769 -1.108921 -0.002891
C -2.254416 0.158272 0.147491
H 2.495911 -1.669879 -0.876765
H 2.754278 -1.433475 0.876885
H 2.251456 1.145955 0.031658
H 4.249759 0.004675 -1.427246
H 4.909009 -1.288535 -0.360172
H 0.304720 -2.082409 -0.207031
H -2.231953 -2.014515 -0.038898
H -3.971833 1.284389 0.354750
H 4.670922 0.336683 1.402060
H -5.087089 -0.842659 -0.639948
H -4.983347 -0.993405 1.082976


