%chk=000078461.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078461

0 1
 O    4.485000       1.095500      0.7010000    
 N   0.7918000     -0.7184000     -6.7400001E-02
 C    3.428100      0.5426000     -7.2899997E-02
 C    2.150000       1.330300      0.1970000    
 C    3.229200     -0.9266000      0.2892000    
 C   0.9439000      0.6834000     -0.4831000    
 C    1.990400      -1.504200     -0.3941000    
 C  -0.3930000      -1.310400     -0.6883000    
 C   -1.630900     -0.5582000     -0.2852000    
 C   -2.328800     -0.9460000      0.8513000    
 C   -2.061400      0.5155000      -1.053800    
 C   -3.477200     -0.2482000       1.225500    
 C   -3.209700       1.213400     -0.6795000    
 C   -3.917500      0.8314000      0.4602000    
 H    3.704700      0.6251000      -1.130800    
 H    2.269700       2.363100     -0.1526000    
 H    1.979700       1.401700       1.280000    
 H    3.142400      -1.032000       1.379000    
 H    4.119600      -1.500900      6.0999999E-03
 H   0.1024000       1.302500     -0.1642000    
 H    1.044200      0.7688000      -1.572900    
 H    2.151200      -1.538900      -1.479700    
 H    1.862200      -2.537700     -5.0299998E-02
 H  -0.5005000      -2.357600     -0.3753000    
 H  -0.3083000      -1.331500      -1.783700    
 H    4.582900       2.027400      0.4413000    
 H   -1.994000      -1.784100       1.456200    
 H   -1.532800      0.8145000      -1.954800    
 H   -4.028200     -0.5451000       2.113100    
 H   -3.555100       2.051500      -1.277700    
 H   -4.812000       1.374300      0.7511000    


%chk=000078461-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000078461

0 1
O 4.636196 0.638073 1.144455
N 0.814474 -0.573878 -0.294021
C 3.542627 0.384963 0.188041
C 2.309261 1.269573 0.458109
C 3.172492 -1.097313 0.327955
C 1.143682 0.862095 -0.467352
C 1.980034 -1.444777 -0.585762
C -0.394862 -0.974765 -1.049487
C -1.681981 -0.369980 -0.494031
C -1.867705 -0.230617 0.904937
C -2.731025 0.014069 -1.364758
C -3.079710 0.277964 1.420962
C -3.948333 0.518693 -0.851030
C -4.126783 0.652063 0.544993
H 3.899226 0.577221 -0.851130
H 2.552681 2.339205 0.294258
H 2.004421 1.143017 1.513806
H 2.904458 -1.292070 1.382564
H 4.044699 -1.727041 0.074142
H 0.245840 1.459571 -0.230842
H 1.417454 1.084440 -1.534032
H 2.297496 -1.355160 -1.659378
H 1.680067 -2.496639 -0.422074
H -0.462923 -2.080124 -0.987699
H -0.313043 -0.724855 -2.139195
H 4.857936 1.604034 1.129224
H -1.044212 -0.515794 1.569418
H -2.595149 -0.080129 -2.449949
H -3.210265 0.381902 2.504466
H -4.751111 0.811743 -1.537425
H -5.067943 1.045713 0.945536


