%chk=000040716.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040716

1 1
 O    3.888500      -1.883000      6.6399999E-02
 N   -1.683600     -0.1348000     -4.6000000E-02
 C  -0.4301000      0.4489000      0.4918000    
 C   -2.785300      0.9301000     -0.1393000    
 C   -1.457900     -0.7115000      -1.450600    
 C   -2.190400      -1.266900      0.8583000    
 C   3.5500001E-02   1.565700     -0.4353000    
 C   -4.055800      0.2891000     -0.6532000    
 C  -0.3746000      -1.766100      -1.388200    
 C   -2.497600     -0.7086000       2.230700    
 C    1.354200       2.193400      1.8900000E-02
 C    2.444100       1.210200      8.7200001E-02
 C    3.335000      0.4067000      0.1444000    
 C    4.418000     -0.5732000      0.2152000    
 H   0.3096000     -0.3383000      0.6577000    
 H  -0.6385000      0.9087000       1.462900    
 H   -2.905200       1.435900      0.8223000    
 H   -2.487000       1.676400     -0.8811000    
 H   -2.367400      -1.227300      -1.769800    
 H   -1.257100      8.5400000E-02  -2.170400    
 H   -3.028800      -1.793700      0.3964000    
 H   -1.377300      -1.987400      0.9872000    
 H  -0.6809000       2.391000     -0.4757000    
 H   0.2034000       1.219200      -1.458200    
 H   -4.816900       1.078400     -0.7170000    
 H   -3.991100     -0.1087000      -1.667600    
 H   -4.491900     -0.4580000      1.2500000E-02
 H  -0.2427000      -2.174000      -2.398600    
 H   0.6061000      -1.375900      -1.107300    
 H  -0.6174000      -2.627700     -0.7633000    
 H   -2.827300      -1.540800       2.865900    
 H   -1.634000     -0.2830000       2.745900    
 H   -3.322100      7.1000000E-03   2.247900    
 H    1.629200       2.996000     -0.6755000    
 H    1.219600       2.659100       1.002400    
 H    5.162400     -0.4060000     -0.5691000    
 H    4.925800     -0.5217000       1.182600    
 H    3.506000      -1.947300     -0.8257000    


%chk=000040716-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040716

1 1
O 3.574051 -1.919167 -0.933143
N -1.669818 -0.117770 -0.005827
C -0.477878 0.719396 0.518494
C -2.857916 0.833854 -0.300187
C -1.294464 -0.876886 -1.312163
C -2.046592 -1.168571 1.076333
C 0.051946 1.815150 -0.425463
C -4.167588 0.154880 -0.719340
C -0.052016 -1.771863 -1.231862
C -2.628647 -0.608488 2.380264
C 1.439485 2.323829 0.085690
C 2.436599 1.237913 0.107827
C 3.204196 0.270360 0.094257
C 4.066246 -0.927726 0.049410
H 0.331238 0.004301 0.741908
H -0.812394 1.169182 1.468349
H -3.002276 1.432982 0.614311
H -2.508552 1.511709 -1.096362
H -2.183016 -1.476965 -1.567882
H -1.174202 -0.106203 -2.091698
H -2.761347 -1.857749 0.596577
H -1.121031 -1.730354 1.281280
H -0.636837 2.677251 -0.475664
H 0.193654 1.430829 -1.451158
H -4.918038 0.948958 -0.881048
H -4.083655 -0.399724 -1.668327
H -4.575354 -0.518270 0.052706
H 0.075497 -2.245513 -2.221896
H 0.883430 -1.230331 -1.017382
H -0.156145 -2.594847 -0.505599
H -2.841485 -1.466823 3.041986
H -1.927790 0.044122 2.926363
H -3.580906 -0.071604 2.236387
H 1.777288 3.143135 -0.575555
H 1.333258 2.763954 1.096951
H 5.117220 -0.643246 -0.155869
H 4.039679 -1.457515 1.016169
H 3.830661 -1.624787 -1.844136


