%chk=000045901.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045901

0 1
 O   -4.116400      0.9448000     -0.4745000    
 N    2.302000      0.3335000     -0.1170000    
 N    1.700600     -0.8045000      -2.138600    
 C    1.909900       1.062700       1.086300    
 C    3.742000      0.1907000     -0.3145000    
 C    1.358500     -0.1394000      -1.057700    
 C  -7.2200000E-02  8.1900001E-02 -0.8676000    
 C    1.897300       2.565100      0.8151000    
 C    4.236600      -1.109500      0.3143000    
 C  -0.8878000     -0.8232000     -0.1690000    
 C   -2.267700     -0.5434000     -2.5900001E-02
 C  -0.6094000       1.246400      -1.417200    
 C   -2.791300      0.6334000     -0.5857000    
 C    1.512300       3.349500       2.059900    
 C    5.738800      -1.272100      0.1410000    
 C  -0.3640000      -2.000000      0.3905000    
 C   -1.966300       1.521700      -1.276300    
 C   -3.083200      -1.448700      0.6724000    
 C   -1.188700      -2.888100       1.081400    
 C   -2.545800      -2.613100       1.222100    
 C   -4.505200       1.712300      0.6610000    
 H   0.9349000      0.7329000       1.459600    
 H    2.615100      0.8454000       1.898800    
 H    4.014200      0.2510000      -1.373900    
 H    4.270000       1.031000      0.1546000    
 H    2.885700       2.899800      0.4792000    
 H    1.199200       2.812300      1.0700000E-02
 H    3.993500      -1.131800       1.383200    
 H    3.726400      -1.965900     -0.1421000    
 H   1.7800000E-02   1.944800      -1.965700    
 H   0.5101000       3.072700       2.402500    
 H    2.219000       3.164000       2.875100    
 H    1.513800       4.423000       1.847000    
 H    6.011200      -1.292100     -0.9191000    
 H    6.280500     -0.4504000      0.6204000    
 H    6.073100      -2.210000      0.5952000    
 H   0.6899000      -2.253500      0.3052000    
 H   -2.376600       2.429800      -1.709800    
 H   -4.148700      -1.270400      0.7971000    
 H  -0.7713000      -3.794800       1.509600    
 H    2.710700     -0.9415000      -2.186600    
 H   -3.187400      -3.305800       1.758800    
 H   -5.594000       1.812800      0.6499000    
 H   -4.062400       2.712200      0.6132000    
 H   -4.210100       1.218200       1.592000    


%chk=000045901-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045901

0 1
O -4.288717 0.580519 -0.111585
N 2.287908 0.312437 0.139973
N 1.751699 0.076485 -2.230875
C 1.909929 1.007564 1.394822
C 3.733378 0.094323 -0.087564
C 1.406528 0.229717 -0.962384
C -0.073358 0.306292 -0.682237
C 2.168126 2.534535 1.357589
C 4.094893 -1.397917 -0.288735
C -0.763777 -0.615464 0.195661
C -2.197693 -0.495251 0.369472
C -0.816378 1.266081 -1.375291
C -2.906814 0.537690 -0.348064
C 1.827898 3.206538 2.704945
C 5.592751 -1.589774 -0.606363
C -0.091513 -1.680086 0.886912
C -2.226168 1.399815 -1.215029
C -2.891113 -1.409023 1.226167
C -0.790689 -2.564923 1.711138
C -2.201427 -2.426406 1.890097
C -5.068517 1.585950 -0.835661
H 0.843266 0.826354 1.603139
H 2.479539 0.554010 2.230494
H 4.095487 0.686030 -0.958134
H 4.275724 0.483959 0.792930
H 3.228213 2.726739 1.097328
H 1.555041 2.976238 0.547886
H 3.827230 -1.953176 0.631165
H 3.477990 -1.820226 -1.103917
H -0.290722 1.919502 -2.078530
H 0.765607 3.049964 2.970435
H 2.443888 2.793027 3.526208
H 2.007966 4.295920 2.665347
H 5.872200 -1.073254 -1.544259
H 6.231597 -1.186781 0.202502
H 5.839133 -2.659752 -0.727544
H 0.988552 -1.791211 0.747898
H -2.753802 2.173782 -1.779034
H -3.972580 -1.294388 1.339667
H -0.255625 -3.373980 2.221219
H 2.780564 0.081727 -2.387765
H -2.740684 -3.123865 2.540473
H -6.107093 1.437219 -0.505668
H -4.996909 1.435619 -1.930069
H -4.736929 2.611137 -0.579859


