%chk=000169928.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169928

0 1
 O    4.165400      -3.481200      0.1013000    
 N    3.623800      9.6100003E-02 -0.4787000    
 N    3.217200       2.118200      0.4972000    
 C   0.3719000      0.5847000      6.8000004E-02
 C  -0.9326000      0.1216000      0.7239000    
 C    1.587000      0.3642000      0.9636000    
 C   -2.127200      0.3279000     -0.2109000    
 C    2.829500      0.8796000      0.3164000    
 C   -3.425100     -0.1646000      0.4323000    
 C    4.814700      0.8272000     -0.8254000    
 C   -4.668300      9.9200003E-02 -0.4227000    
 C    4.460900       2.231900     -0.3207000    
 C    3.515500      -1.318900     -0.7176000    
 C   -6.008200     -0.2949000      0.2064000    
 C   -7.215300      4.8799999E-02 -0.6664000    
 C    4.309400      -2.084700      0.3270000    
 C   -8.518500     -0.3552000      6.2000002E-03
 H   0.5156000      5.0400000E-02 -0.8796000    
 H   0.2929000       1.649000     -0.1884000    
 H   -1.091600      0.6765000       1.656400    
 H  -0.8512000     -0.9399000      0.9875000    
 H    1.695500     -0.6950000       1.214600    
 H    1.447500      0.9004000       1.910300    
 H   -2.219100       1.392800     -0.4562000    
 H   -1.961100     -0.2083000      -1.152800    
 H   -3.555700      0.3295000       1.403200    
 H   -3.349500      -1.240300      0.6329000    
 H    5.693600      0.4419000     -0.2987000    
 H    5.008900      0.8225000      -1.902300    
 H   -4.557200     -0.4298000      -1.377800    
 H   -4.702100       1.169200     -0.6654000    
 H    4.273600       2.912600      -1.158600    
 H    5.271500       2.648800      0.2856000    
 H    2.471200      -1.650800     -0.7269000    
 H    3.898500      -1.561500      -1.716800    
 H   -6.107600      0.2109000       1.174800    
 H   -6.000600      -1.372300      0.4123000    
 H   -7.232400       1.125700     -0.8693000    
 H   -7.132300     -0.4629000      -1.632100    
 H    5.375100      -1.840000      0.2764000    
 H    3.952600      -1.860100       1.337600    
 H   -8.644900      0.1649000      0.9612000    
 H   -9.369400     -0.1017000     -0.6339000    
 H   -8.544800      -1.433100      0.1953000    
 H    4.683200      -3.935900      0.7875000    


%chk=000169928-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169928

0 1
O 3.884205 -3.552259 -0.242990
N 3.639331 0.168661 -0.489479
N 3.459596 2.136167 0.714054
C 0.432167 0.613465 0.084772
C -0.904715 0.232384 0.757690
C 1.637364 0.480102 1.056960
C -2.116128 0.323462 -0.197594
C 2.939955 0.949071 0.453718
C -3.459727 -0.001538 0.493653
C 4.897161 0.874801 -0.849444
C -4.672723 0.057571 -0.462250
C 4.685615 2.265099 -0.150898
C 3.440470 -1.252496 -0.767319
C -6.017943 -0.237434 0.239178
C -7.231400 -0.192163 -0.717610
C 4.182938 -2.186592 0.213550
C -8.571910 -0.475004 -0.005237
H 0.591021 -0.021790 -0.810071
H 0.385556 1.659367 -0.275947
H -1.074799 0.897504 1.629813
H -0.834913 -0.799769 1.161587
H 1.717095 -0.570593 1.400888
H 1.455697 1.107362 1.946601
H -2.165066 1.343941 -0.631592
H -1.964318 -0.370536 -1.050584
H -3.619618 0.708425 1.331993
H -3.402523 -1.012308 0.949729
H 5.785936 0.339897 -0.453385
H 5.006934 0.955143 -1.947101
H -4.523393 -0.667790 -1.289394
H -4.718941 1.061485 -0.934322
H 4.513822 3.068660 -0.891947
H 5.551027 2.561145 0.467498
H 2.364434 -1.496893 -0.734886
H 3.788460 -1.478899 -1.792350
H -6.172380 0.494886 1.059264
H -5.970017 -1.236735 0.720944
H -7.273434 0.803615 -1.204769
H -7.080235 -0.929842 -1.532145
H 5.274857 -1.985400 0.186439
H 3.816036 -2.016559 1.248187
H -8.760546 0.268672 0.792041
H -9.422771 -0.437691 -0.710381
H -8.566930 -1.476241 0.465891
H 4.335051 -4.208954 0.343945


