%chk=000045100.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045100

0 1
 O   -2.332900      0.3176000      -1.067400    
 N   0.7550000     -0.8076000      0.1510000    
 N   0.9078000       1.446300     -0.5652000    
 C    2.201500       1.015500      8.5000005E-03
 C    2.168200     -0.5127000     -9.6699998E-02
 C   6.1099999E-02  0.2343000     -0.6230000    
 C   0.4016000      -2.162900     -0.2542000    
 C    2.323800       1.484400       1.468100    
 C    3.344700       1.607400     -0.8178000    
 C   -1.354600      0.5001000     -0.1480000    
 C   -1.081900      -2.415700     -1.9800000E-02
 C    1.259000      -3.182500      0.4850000    
 C   -1.874400      0.8997000       1.054300    
 C   -3.275300      0.9698000      0.8661000    
 C   -3.503600      0.6063000     -0.4407000    
 H    2.479200     -0.8456000      -1.096600    
 H    2.825200     -0.9715000      0.6499000    
 H   1.9300001E-02 -6.2199999E-02  -1.681900    
 H    1.030700       1.807200      -1.510900    
 H   0.5922000      -2.306600      -1.327200    
 H    3.270400       1.150300       1.907700    
 H    2.292400       2.578000       1.534500    
 H    1.512800       1.093600       2.092900    
 H    3.336200       2.703100     -0.7850000    
 H    4.315300       1.269400     -0.4375000    
 H    3.283000       1.306800      -1.870400    
 H   -1.286400      -3.493600     -5.0799999E-02
 H   -1.418000      -2.072200      0.9640000    
 H   -1.705500      -1.993400     -0.8090000    
 H    2.313000      -3.132000      0.1932000    
 H   0.9258000      -4.202300      0.2600000    
 H    1.194600      -3.049600       1.571100    
 H   -1.321300       1.114900       1.957300    
 H   -4.024800       1.249600       1.592100    
 H   -4.393600      0.5078000      -1.044900    


%chk=000045100-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045100

0 1
O -2.235592 1.164443 -0.913177
N 0.733384 -0.923703 0.048674
N 0.917620 1.208902 -1.051120
C 2.090280 1.054990 -0.122192
C 2.159560 -0.488338 0.068418
C -0.019117 0.073071 -0.801452
C 0.527653 -2.354958 -0.322930
C 1.809414 1.775448 1.217669
C 3.358141 1.627259 -0.783965
C -1.281973 0.509679 -0.099134
C -0.965256 -2.745890 -0.281069
C 1.333374 -3.274066 0.621277
C -1.756467 0.445820 1.199295
C -3.054516 1.091849 1.217392
C -3.311243 1.514029 -0.075240
H 2.745020 -0.940874 -0.772083
H 2.640018 -0.773504 1.020606
H -0.312512 -0.357050 -1.788677
H 1.221845 1.228829 -2.034183
H 0.901539 -2.523857 -1.370723
H 2.677904 1.689044 1.897704
H 1.605306 2.843876 1.031956
H 0.928076 1.340433 1.716316
H 3.238483 2.709884 -0.970435
H 4.236571 1.489662 -0.128702
H 3.572148 1.127001 -1.748565
H -1.079229 -3.804058 -0.579935
H -1.366684 -2.620160 0.739743
H -1.582338 -2.134238 -0.961963
H 2.421214 -3.102927 0.543569
H 1.140359 -4.333295 0.372211
H 1.026631 -3.098197 1.668639
H -1.235077 -0.022517 2.030404
H -3.709100 1.221644 2.077349
H -4.134935 2.033469 -0.556978


