%chk=000022752.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022752

0 1
 O    3.623400      0.3957000     -9.9999997E-05
 O    2.257800      -1.438900     -5.0000002E-04
 N  -0.5164000     -0.6996000     -1.4000000E-03
 N  -0.9184000       1.486400     -7.9999998E-04
 N    1.373000      0.7398000     -1.6000000E-03
 C   -1.882400     -0.5787000     -3.9999999E-04
 C   -2.108100      0.7951000       0.000000    
 C   1.4200000E-02  0.5603000     -1.8000000E-03
 C   -2.908600      -1.524000      9.9999997E-05
 C   -3.429900       1.271900      1.2000001E-03
 C   -4.217900      -1.031800      1.0000000E-03
 C   -4.476000      0.3409000      1.7000000E-03
 C    2.401300     -0.2223000     -1.0000000E-03
 C    4.765400     -0.4690000      1.4000000E-03
 C    6.022600      0.3743000      2.2000000E-03
 H   1.6000000E-03  -1.568000     -1.8000000E-03
 H   -2.705700      -2.588900     -3.9999999E-04
 H   -3.640900       2.336500      1.6000000E-03
 H    1.671800       1.711400     -1.4000000E-03
 H   -5.049800      -1.731800      1.4000000E-03
 H   -5.504400      0.6931000      2.4999999E-03
 H    4.743000      -1.101000      0.8962000    
 H    4.744700      -1.101900     -0.8927000    
 H    6.916300     -0.2558000      3.5000001E-03
 H    6.050200       1.025600     -0.8776000    
 H    6.048500       1.026600      0.8813000    


%chk=000022752-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022752

0 1
O 3.637889 0.440221 0.000770
O 2.180631 -1.412296 0.000436
N -0.490065 -0.747827 0.000235
N -0.905036 1.511579 0.000505
N 1.400517 0.807905 0.000554
C -1.889844 -0.617682 0.000192
C -2.131629 0.801839 0.000360
C 0.025556 0.544749 0.000436
C -2.933669 -1.562801 0.000029
C -3.456967 1.290188 0.000364
C -4.251636 -1.053261 0.000045
C -4.508285 0.348418 0.000208
C 2.386090 -0.165094 0.000530
C 4.806088 -0.494736 0.000860
C 6.057676 0.375097 0.000975
H 0.102439 -1.583127 0.000166
H -2.743663 -2.640955 -0.000097
H -3.649221 2.367191 0.000492
H 1.670193 1.793664 0.000690
H -5.095569 -1.751823 -0.000074
H -5.545933 0.699589 0.000210
H 4.734735 -1.136583 0.897063
H 4.734886 -1.136569 -0.895364
H 6.955688 -0.268847 0.001058
H 6.092297 1.018531 -0.894409
H 6.092133 1.018529 0.896367


