%chk=000059797.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059797

0 1
 O   -1.596900       1.275400       1.216500    
 N    3.869200      -2.173900     -0.1790000    
 N   0.4679000      0.4304000      0.5902000    
 N   -2.951400      0.9989000       1.075000    
 C    2.611400      -2.749700      0.2732000    
 C    4.772700      -3.177500     -0.7407000    
 C    4.622100      -1.552100      0.9099000    
 C    6.109200      -2.451100     -0.7748000    
 C    6.011600      -1.385200      0.3124000    
 C    1.687800      -1.675500      0.8780000    
 C    1.928000      -3.429400     -0.9136000    
 C    1.325200     -0.5276000     -6.5899998E-02
 C    1.117400       1.534200       1.303700    
 C  -0.9184000      0.3248000      0.5633000    
 C    1.281400       2.723200      0.3982000    
 C   -1.723000     -0.5803000     -1.3200000E-02
 C   -3.001800     -0.1136000      0.3370000    
 C    2.437400       2.852200     -0.3609000    
 C   0.2750000       3.677900      0.3312000    
 C   -4.264800     -0.7041000     -1.6600000E-02
 C    2.589700       3.955100      -1.201300    
 C   0.4272000       4.780800     -0.5092000    
 C    1.584600       4.919300      -1.275300    
 C   -4.359500      -2.081900     -0.2043000    
 C   -5.390500      0.1029000     -0.1706000    
 C   -5.584200      -2.654600     -0.5474000    
 C   -6.615300     -0.4700000     -0.5137000    
 C   -6.712000      -1.848700     -0.7020000    
 H    2.785000      -3.510800       1.046400    
 H    4.490700      -3.494100      -1.749800    
 H    4.851400      -4.064600     -9.8999999E-02
 H    4.220000     -0.5797000       1.210400    
 H    4.675900      -2.200800       1.793800    
 H    6.268800      -1.972900      -1.748500    
 H    6.943800      -3.136700     -0.5965000    
 H    6.791700      -1.507100       1.070600    
 H    6.127700     -0.3902000     -0.1332000    
 H   0.7617000      -2.167200       1.206900    
 H    2.128100      -1.274300       1.799500    
 H    1.893400      -2.788400      -1.801800    
 H    2.432600      -4.361100      -1.192200    
 H   0.8962000      -3.700500     -0.6616000    
 H   0.8437000     -0.9100000     -0.9727000    
 H    2.238900     -3.7300002E-02 -0.4174000    
 H   0.5629000       1.813400       2.209500    
 H    2.101400       1.219000       1.676600    
 H   -1.452200      -1.445700     -0.6003000    
 H    3.232400       2.114100     -0.3073000    
 H  -0.6247000       3.598400      0.9328000    
 H    3.491700       4.064200      -1.796200    
 H  -0.3534000       5.534000     -0.5638000    
 H    1.703800       5.778900      -1.928500    
 H   -3.500900      -2.737200     -8.1100002E-02
 H   -5.344700       1.181100     -3.8800001E-02
 H   -5.660400      -3.728400     -0.6921000    
 H   -7.493400      0.1574000     -0.6361000    
 H   -7.665600      -2.294600     -0.9690000    


%chk=000059797-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059797

0 1
O -1.769543 1.350945 1.196834
N 3.800937 -2.005834 -0.162990
N 0.326769 0.429375 0.587325
N -3.217628 1.031532 1.079245
C 2.548684 -2.744855 0.159089
C 4.865236 -2.822006 -0.813467
C 4.476705 -1.385433 1.011037
C 6.127827 -1.926057 -0.739648
C 5.867975 -0.968611 0.470915
C 1.499854 -1.791068 0.791745
C 1.983105 -3.446068 -1.097366
C 1.147425 -0.581949 -0.110271
C 1.012293 1.552863 1.272845
C -1.036879 0.314396 0.593208
C 1.534888 2.619802 0.312348
C -1.922392 -0.645032 0.092972
C -3.236492 -0.159467 0.413152
C 2.925544 2.786912 0.102572
C 0.626741 3.458503 -0.384997
C -4.537594 -0.796796 0.112483
C 3.407187 3.774495 -0.788510
C 1.104725 4.443994 -1.274910
C 2.496719 4.605204 -1.479451
C -4.598871 -2.026110 -0.595716
C -5.751732 -0.184212 0.529821
C -5.842579 -2.630551 -0.879484
C -6.992095 -0.788854 0.244683
C -7.044656 -2.015357 -0.460953
H 2.767667 -3.540512 0.923431
H 4.589054 -3.077939 -1.849972
H 5.037226 -3.780469 -0.257386
H 3.900492 -0.524492 1.394319
H 4.585981 -2.119261 1.851588
H 6.242596 -1.344585 -1.670132
H 7.041140 -2.532042 -0.608830
H 6.642541 -1.054976 1.252658
H 5.851232 0.081585 0.131200
H 0.586345 -2.372808 1.019460
H 1.875746 -1.412893 1.761749
H 1.880691 -2.733091 -1.934949
H 2.633514 -4.272758 -1.431537
H 0.988836 -3.874901 -0.875600
H 0.610776 -0.911707 -1.018170
H 2.080014 -0.100692 -0.454014
H 0.295365 1.995584 1.984945
H 1.853403 1.134453 1.859728
H -1.668269 -1.570370 -0.413896
H 3.635737 2.145841 0.642103
H -0.450780 3.336208 -0.222797
H 4.485569 3.895447 -0.941710
H 0.395694 5.089565 -1.805261
H 2.866167 5.372579 -2.169037
H -3.675777 -2.512815 -0.928906
H -5.703417 0.763493 1.075613
H -5.873727 -3.579275 -1.426968
H -7.919447 -0.305704 0.572132
H -8.010021 -2.484426 -0.681574


