%chk=000047189.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047189

0 1
 O    2.349200      0.9203000      -1.142300    
 N   1.1700000E-02   1.222600      0.5746000    
 N    1.767900       1.787400       2.114700    
 C   -2.960600      0.6194000      0.5540000    
 C   -2.307700       1.998700      0.7000000    
 C   -4.302800      0.6552000     -0.1795000    
 C  -0.9400000       1.994500       1.374900    
 C   -4.866000     -0.7538000     -0.3713000    
 C    2.221200      0.3687000      0.1587000    
 C    1.232400       1.191300      0.9944000    
 C    1.786700      -1.077300      7.2099999E-02
 C   -6.182000     -0.7292000      -1.132300    
 C    2.226400      -1.974300       1.030800    
 C   0.9579000      -1.473900     -0.9636000    
 C    2.757300       2.281700      -1.096600    
 C    1.825500      -3.308000      0.9512000    
 C   0.5570000      -2.807600      -1.043100    
 C   0.9910000      -3.724600     -8.5600004E-02
 C    2.874800       2.808900      -2.510900    
 H   -3.101100      0.1818000       1.550100    
 H   -2.279100     -4.6500001E-02  1.0500000E-02
 H   -2.979500       2.648800       1.273900    
 H   -2.208800       2.448900     -0.2961000    
 H   -5.014800       1.267600      0.3866000    
 H   -4.171200       1.132800      -1.158000    
 H  -0.6021000       3.033400       1.472700    
 H   -1.034800       1.561800       2.378200    
 H   -5.021700      -1.228000      0.6047000    
 H   -4.146600      -1.371700     -0.9213000    
 H    3.215700      0.3989000      0.6241000    
 H   -6.052000     -0.2914000      -2.127100    
 H   -6.567200      -1.746200      -1.256400    
 H   -6.934800     -0.1440000     -0.5947000    
 H    2.874400      -1.658900       1.843400    
 H   0.5994000     -0.7757000      -1.714200    
 H    2.026600       2.904100     -0.5709000    
 H    3.726700       2.363000     -0.5921000    
 H    1.203700       2.344900       2.746200    
 H    2.749100       1.690400       2.353800    
 H    2.162500      -4.021800       1.697200    
 H  -9.5299996E-02  -3.131700      -1.848800    
 H   0.6780000      -4.762700     -0.1471000    
 H    1.915300       2.729700      -3.032800    
 H    3.597900       2.218600      -3.083400    
 H    3.193000       3.855300      -2.513800    


%chk=000047189-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047189

0 1
O 1.351545 -2.094356 -1.487533
N -0.726206 0.017015 0.583023
N -0.247065 -2.358528 0.725898
C -3.213850 1.738447 0.377745
C -2.567467 1.250562 1.691303
C -3.863784 3.134276 0.499231
C -1.856572 -0.108714 1.537125
C -4.509740 3.623541 -0.817253
C 1.190172 -0.905906 -0.635887
C -0.038089 -1.057413 0.282987
C 2.480058 -0.709550 0.168241
C -5.152796 5.021896 -0.691635
C 2.561132 0.364127 1.091369
C 3.595783 -1.561462 -0.009367
C 0.357877 -2.153861 -2.578869
C 3.745416 0.579686 1.828818
C 4.780010 -1.344317 0.733443
C 4.860110 -0.274721 1.653535
C 0.632665 -3.425878 -3.379114
H -3.980693 1.003484 0.050189
H -2.432282 1.752378 -0.406677
H -3.338661 1.171320 2.485368
H -1.821458 1.995876 2.031415
H -4.634371 3.118890 1.299381
H -3.095740 3.868017 0.822935
H -1.493384 -0.451130 2.534401
H -2.598081 -0.867567 1.185588
H -5.276382 2.889729 -1.140929
H -3.739211 3.638748 -1.614944
H 1.001197 -0.006268 -1.257539
H -4.399312 5.778429 -0.400928
H -5.608996 5.347817 -1.644790
H -5.944765 5.025308 0.081337
H 1.690118 1.015631 1.228269
H 3.527850 -2.379058 -0.732110
H -0.667680 -2.160132 -2.152739
H 0.463285 -1.248864 -3.214146
H -0.976492 -2.585552 1.395800
H 0.355556 -3.094835 0.358195
H 3.800077 1.413667 2.537997
H 5.639950 -2.008920 0.589934
H 5.779513 -0.106212 2.225976
H 0.518073 -4.321629 -2.743734
H 1.660252 -3.415989 -3.781593
H -0.074361 -3.506583 -4.224812


