%chk=000156440.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156440

0 1
 O    1.684000      -2.801800     -1.9000000E-03
 N  -0.1712000     -0.1017000     -0.2657000    
 N   -3.811500      0.5378000      0.2390000    
 N    1.205300      -1.632200     -7.2499998E-02
 N  -6.9200002E-02  -1.440900     -0.2438000    
 C   -1.461500      0.5189000     -0.4421000    
 C   -2.531800     -0.1340000      0.4279000    
 C    1.033200      0.5146000     -0.1076000    
 C    1.938300     -0.5195000      1.9600000E-02
 C    1.430000       1.849100     -6.1700001E-02
 C    3.300600     -0.3131000      0.2012000    
 C   -4.837400     -5.5100001E-02   1.099100    
 C   -4.226300      0.4730000      -1.163600    
 C    2.801400       2.080700      0.1218000    
 C    3.716200       1.024200      0.2504000    
 H   -1.374000       1.584500     -0.2056000    
 H   -1.666700      0.4189000      -1.513000    
 H   -2.621200      -1.204600      0.1997000    
 H   -2.225300     -5.7599999E-02   1.479500    
 H   0.7303000       2.670300     -0.1618000    
 H    4.012300      -1.124500      0.3011000    
 H   -4.544200      1.5500000E-02   2.152500    
 H   -5.018400      -1.109500      0.8607000    
 H   -5.783600      0.4887000       1.001700    
 H   -3.625200       1.130600      -1.798800    
 H   -5.254100      0.8405000      -1.273900    
 H   -4.195200     -0.5469000      -1.564000    
 H    3.164500       3.105000      0.1650000    
 H    4.771000       1.248300      0.3911000    


%chk=000156440-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156440

0 1
O 2.155600 -2.761705 -1.175025
N -0.100192 -0.132675 -0.869944
N -3.728511 0.567832 0.001891
N 1.505519 -1.653986 -0.933052
N 0.185607 -1.444243 -1.313814
C -1.467127 0.368601 -1.033796
C -2.376281 -0.004601 0.166013
C 0.978450 0.449223 -0.221862
C 2.025517 -0.511563 -0.261325
C 1.180271 1.712023 0.391307
C 3.300452 -0.278870 0.286486
C -4.432883 0.752879 1.288859
C -4.559632 -0.168193 -0.976019
C 2.453137 1.950124 0.942266
C 3.500799 0.974981 0.894144
H -1.437455 1.466691 -1.140599
H -1.858341 -0.056025 -1.972594
H -2.383874 -1.116970 0.278853
H -1.930663 0.414566 1.087531
H 0.391098 2.468128 0.436751
H 4.078568 -1.044694 0.231895
H -3.820721 1.375467 1.965079
H -4.663215 -0.207942 1.813529
H -5.387593 1.280044 1.112824
H -4.063258 -0.206000 -1.960692
H -5.521581 0.357430 -1.108933
H -4.776504 -1.218788 -0.658651
H 2.650993 2.913586 1.424670
H 4.472116 1.213881 1.338508