%chk=000080382.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080382

0 1
 O   -4.017700       1.863500     -0.3832000    
 N   0.2856000     -0.2285000     -0.5737000    
 N   -5.250200     -0.5983000      0.1972000    
 N   0.8539000     -9.9999997E-05  0.5194000    
 N    6.383700      0.4121000     -0.2540000    
 C   -1.688000      -1.562200     -9.3199998E-02
 C   -1.097100     -0.3316000     -0.3797000    
 C   -3.855500     -0.4991000      2.0999999E-03
 C   -3.067200      -1.645900      9.7700000E-02
 C   -3.264600      0.7314000     -0.2846000    
 C   -1.885400      0.8152000     -0.4754000    
 C  -0.8645000      -2.803800      1.4800000E-02
 C    2.242000      0.1032000      0.3252000    
 C    2.809200       1.341600      4.1299999E-02
 C    3.039000      -1.033500      0.4185000    
 C    4.990600      0.3080000     -5.9200000E-02
 C    4.186800       1.444400     -0.1514000    
 C    4.416600     -0.9309000      0.2258000    
 C   -4.217000       2.614400      0.8124000    
 H   -3.531200      -2.603700      0.3228000    
 H   -1.427800       1.775900     -0.7001000    
 H  -0.2269000      -2.924200     -0.8675000    
 H   -1.489000      -3.701300      8.2199998E-02
 H  -0.2371000      -2.767300      0.9112000    
 H   -5.830800      0.2255000      0.1147000    
 H   -5.671300      -1.494600      0.4025000    
 H    2.190300       2.231900     -3.1599998E-02
 H    2.599900      -2.002400      0.6407000    
 H    4.622100       2.415500     -0.3727000    
 H    5.032200      -1.823700      0.3005000    
 H   -3.261800       2.996000       1.186900    
 H   -4.703300       2.004200       1.579900    
 H   -4.865000       3.463700      0.5793000    
 H    6.800100       1.310100     -0.4613000    
 H    6.966900     -0.4115000     -0.1880000    


%chk=000080382-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080382

0 1
O -4.195544 1.673643 0.398898
N 0.174925 -0.734928 0.036606
N -5.472814 -0.659486 0.279575
N 0.786890 0.432525 0.101907
N 6.453075 0.523357 -0.132659
C -1.940826 -1.920078 0.036925
C -1.239622 -0.673751 0.100397
C -4.088444 -0.700319 0.218413
C -3.350840 -1.906315 0.097527
C -3.361515 0.537654 0.279593
C -1.969674 0.551612 0.221918
C -1.192199 -3.233557 -0.092338
C 2.205336 0.365975 0.036665
C 2.892049 1.610053 0.106151
C 2.975209 -0.829967 -0.090750
C 5.060765 0.476690 -0.076550
C 4.293462 1.672456 0.051244
C 4.373405 -0.776243 -0.146372
C -3.529855 2.974355 0.464900
H -3.897962 -2.856036 0.049496
H -1.383866 1.474715 0.265803
H -0.568167 -3.247876 -1.003321
H -1.894357 -4.084894 -0.132131
H -0.503288 -3.384576 0.757540
H -5.931334 0.244213 0.366718
H -6.026842 -1.509144 0.239911
H 2.292871 2.521862 0.204148
H 2.443662 -1.785325 -0.143708
H 4.803766 2.641903 0.106703
H 4.955239 -1.701895 -0.244608
H -2.940484 3.165689 -0.452555
H -2.864107 3.035226 1.347347
H -4.338245 3.715533 0.552925
H 6.947693 1.409190 -0.082280
H 6.999137 -0.328262 -0.224539


