%chk=000006826.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006826

0 1
 O    2.436500      0.6220000     -0.2944000    
 O    1.724000      -1.397300      0.5507000    
 N  -0.8627000      -1.862500     -0.2955000    
 C  -0.9781000     -0.4631000     -0.1392000    
 C   0.1499000      0.3292000      7.4800000E-02
 C   -2.241600      0.1249000     -0.2019000    
 C   1.4400000E-02   1.709200      0.2262000    
 C   -2.377100       1.504900     -5.0700001E-02
 C   -1.249100       2.297000      0.1634000    
 C    1.483700     -0.2542000      0.1454000    
 C   -1.892200      -2.772800      9.5799997E-02
 C    3.792300      0.1626000     -0.2746000    
 H   -3.139500     -0.4606000     -0.3764000    
 H   0.8701000       2.353900      0.4089000    
 H   7.1000002E-02  -2.239100     -0.4145000    
 H   -3.360500       1.963300     -0.1010000    
 H   -1.355400       3.371100      0.2840000    
 H   -2.222300      -2.589700       1.123700    
 H   -1.512900      -3.798800      5.0000001E-02
 H   -2.754500      -2.718600     -0.5761000    
 H    3.904000     -0.7108000     -0.9237000    
 H    4.094700     -7.5599998E-02  0.7495000    
 H    4.429700      0.9664000     -0.6523000    


%chk=000006826-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006826

0 1
O 2.541754 0.722730 -0.094000
O 1.788094 -1.475366 -0.081732
N -0.857399 -1.881795 -0.000138
C -0.993730 -0.509380 0.009403
C 0.170589 0.355672 -0.025584
C -2.287272 0.107496 0.052168
C -0.002949 1.768631 -0.018312
C -2.420239 1.503606 0.058670
C -1.279077 2.350364 0.023165
C 1.517498 -0.229903 -0.068412
C -1.980916 -2.812849 0.039008
C 3.916053 0.177959 -0.140265
H -3.182217 -0.520809 0.080172
H 0.894327 2.393190 -0.045404
H 0.113607 -2.227957 -0.029055
H -3.423918 1.943963 0.091930
H -1.394258 3.438477 0.027512
H -2.586782 -2.697231 0.960786
H -1.589338 -3.842718 0.017048
H -2.657060 -2.687043 -0.830896
H 4.057647 -0.434184 -1.047025
H 4.113626 -0.445672 0.747960
H 4.566360 1.064218 -0.154900


