%chk=000068712.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068712

0 1
 O    2.408400      0.1368000       1.079900    
 N   0.1609000      0.1599000      0.6789000    
 N    1.729900     -0.4620000      -1.015700    
 C   -1.813200       1.281500     -0.2481000    
 C   -1.919100      -1.106300      0.5364000    
 C   -1.051500     -3.4200002E-02 -0.1152000    
 C   -1.110400       2.426300     -0.8697000    
 C   -1.388500       2.414300      0.6049000    
 C   -3.180800      -1.480700     -0.1418000    
 C   -2.012400      -2.422400     -0.1353000    
 C    1.406100     -7.2300002E-02  0.1783000    
 C    3.575200     -0.3695000      0.4518000    
 C    3.195600     -0.4714000      -1.004500    
 H   -2.861600       1.173800     -0.4906000    
 H   -1.937600      -1.060200       1.618000    
 H  -0.7999000     -0.3506000      -1.135500    
 H   -1.689700       3.105900      -1.483400    
 H  -8.4200002E-02   2.308500      -1.194500    
 H  -0.5304000       2.394700       1.261300    
 H   -2.166100       3.078300      0.9702000    
 H   -3.441600      -1.033600      -1.093000    
 H   -4.033500      -1.733600      0.4767000    
 H   -2.080800      -3.305000      0.4891000    
 H   -1.489700      -2.582500      -1.070100    
 H   5.4400001E-02  0.3850000       1.663900    
 H    3.813600      -1.346400      0.8855000    
 H    4.419600      0.3067000      0.6135000    
 H    3.567400      0.3886000      -1.572200    
 H    3.595900      -1.381000      -1.462200    


%chk=000068712-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068712

0 1
O 2.467193 0.077760 0.952551
N 0.181749 0.373480 0.554657
N 1.585228 -0.740198 -1.068011
C -1.883295 1.522659 -0.249358
C -1.953393 -0.905268 0.437834
C -1.095145 0.207873 -0.171819
C -1.197550 2.863046 -0.516054
C -1.837733 2.588760 0.857551
C -2.838377 -1.761505 -0.482794
C -1.588759 -2.371068 0.176594
C 1.360663 -0.132843 0.072495
C 3.622830 -0.588491 0.272185
C 3.057381 -0.993518 -1.135145
H -2.864018 1.376523 -0.718404
H -2.371307 -0.662087 1.423862
H -0.808253 -0.093877 -1.197312
H -1.683964 3.577144 -1.186454
H -0.104225 2.860817 -0.559837
H -1.158146 2.453226 1.705504
H -2.767643 3.103889 1.114932
H -2.797083 -1.564337 -1.559394
H -3.822913 -2.070361 -0.119581
H -1.732621 -3.095898 0.983205
H -0.718214 -2.559094 -0.459564
H 0.165749 0.642997 1.538349
H 3.916131 -1.456715 0.887624
H 4.446754 0.141628 0.230113
H 3.505856 -0.388410 -1.945929
H 3.249105 -2.057534 -1.361202


