%chk=000012897.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012897

0 1
 O  -0.8815000      -1.952200       1.709500    
 O  -0.8378000     -0.4861000      -2.553700    
 O   -2.218900       2.411200      0.7921000    
 N   -1.596100      0.2245000       1.287900    
 N   -1.398900       1.077200     -0.9231000    
 C  -5.1300000E-02 -0.8716000     -0.2904000    
 C   0.2101000      -2.315200     -0.7796000    
 C    1.322700     -0.2110000     -3.9200000E-02
 C  -0.8933000     -0.9542000      0.9862000    
 C  -0.8058000     -0.1054000      -1.383000    
 C   -1.088400      -3.030100      -1.082900    
 C   -1.758700       1.327400      0.4191000    
 C    1.926800     -0.3389000       1.204400    
 C    1.936000      0.5028000      -1.060100    
 C   -2.198700      0.3163000       2.613800    
 C   -1.801400       2.070900      -1.911500    
 C    3.167000      0.2578000       1.431400    
 C    3.176300       1.099400     -0.8333000    
 C    3.791700      0.9770000      0.4125000    
 H   0.7680000      -2.890700     -2.8999999E-02
 H   0.8326000      -2.314800      -1.684400    
 H   -1.752700      -3.122300     -0.2203000    
 H   -1.662400      -2.584500      -1.897800    
 H  -0.8592000      -4.054400      -1.400700    
 H    1.477800     -0.9035000       2.014500    
 H    1.502600      0.6052000      -2.049300    
 H   -2.690600     -0.6286000       2.864300    
 H   -2.929400       1.126500       2.677800    
 H   -1.397800      0.4921000       3.338900    
 H   -1.539000       3.072100      -1.556100    
 H   -2.888100       2.017200      -2.030200    
 H   -1.320800       1.894900      -2.877500    
 H    3.648400      0.1595000       2.400000    
 H    3.665600       1.655400      -1.627900    
 H    4.758200       1.440000      0.5885000    


%chk=000012897-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000012897

0 1
O -0.697299 -1.834427 1.839035
O -0.540039 -0.146897 -2.609124
O -2.660214 2.248571 0.767703
N -1.633185 0.217022 1.329348
N -1.535448 1.092895 -0.913061
C -0.036099 -0.836705 -0.307045
C 0.189452 -2.285733 -0.848466
C 1.361519 -0.180518 -0.027386
C -0.820984 -0.890138 1.013221
C -0.733897 0.025435 -1.375858
C -1.107278 -3.050964 -1.181867
C -1.965971 1.256697 0.424254
C 1.908717 -0.132542 1.279961
C 2.138380 0.300134 -1.114142
C -2.225506 0.263372 2.688958
C -2.030793 2.101144 -1.882983
C 3.199375 0.400990 1.495985
C 3.427720 0.830541 -0.893482
C 3.963891 0.887595 0.412978
H 0.763529 -2.831035 -0.078983
H 0.821057 -2.202214 -1.749817
H -1.744404 -3.173171 -0.288074
H -1.685539 -2.540715 -1.972607
H -0.860352 -4.062016 -1.552263
H 1.347931 -0.529232 2.132061
H 1.739091 0.255502 -2.133023
H -2.897141 -0.598056 2.835689
H -2.782077 1.205702 2.783735
H -1.424108 0.211063 3.443230
H -1.703127 3.105542 -1.571965
H -3.132010 2.087142 -1.920010
H -1.615772 1.841277 -2.866765
H 3.606911 0.429708 2.512659
H 4.012664 1.196965 -1.744390
H 4.964005 1.300967 0.583394


