%chk=000054932.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054932

0 1
 O    3.283100     -0.2424000      -1.475300    
 N    1.826700     -1.8999999E-02  0.3443000    
 N   -3.366400     -0.3731000      0.2449000    
 C    1.209700       1.207200     -9.4999999E-02
 C    1.462400       2.322900      0.9107000    
 C    1.340300     -0.5642000       1.614900    
 C    2.835600     -0.6546000     -0.4019000    
 C   -2.841700      0.6197000     -0.6841000    
 C  -0.2295000      0.9984000     -0.3017000    
 C   -1.406200      0.8263000     -0.4729000    
 C    3.386600      -1.930600      0.1837000    
 C   -2.689300      -1.658600      6.3199997E-02
 C   -4.811300     -0.5320000      6.9200002E-02
 H    1.654800       1.509800      -1.049900    
 H    1.067400       3.275200      0.5382000    
 H    2.535800       2.452000       1.088800    
 H   0.9847000       2.135300       1.879000    
 H   0.3491000     -0.1881000       1.880400    
 H    2.050100     -0.2820000       2.398700    
 H    1.280900      -1.654300       1.570000    
 H   -3.024000      0.3274000      -1.726300    
 H   -3.352400       1.577900     -0.5272000    
 H   -2.768500      -2.027900     -0.9661000    
 H   -1.630700      -1.612000      0.3392000    
 H   -3.129200      -2.414800      0.7246000    
 H   -5.069600     -0.8894000     -0.9343000    
 H   -5.212600      -1.240700      0.8022000    
 H   -5.326700      0.4197000      0.2401000    
 H    4.265900      -2.241100     -0.3894000    
 H    3.699100      -1.781100       1.220300    
 H    2.638600      -2.725100      0.1202000    


%chk=000054932-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054932

0 1
O 3.303866 -0.483748 -1.286496
N 1.881234 -0.122742 0.523489
N -3.457646 -0.733489 0.095863
C 1.209967 0.977893 -0.235649
C 1.676760 2.373143 0.262259
C 1.469950 -0.362977 1.916340
C 2.943346 -0.777188 -0.100477
C -2.962671 0.658115 -0.085323
C -0.261628 0.844735 -0.186338
C -1.490979 0.750153 -0.131938
C 3.652877 -1.871161 0.695541
C -3.058346 -1.627567 -1.010988
C -4.915560 -0.746962 0.331467
H 1.563778 0.844755 -1.276539
H 1.209317 3.168297 -0.344129
H 2.773083 2.451744 0.162448
H 1.396147 2.537879 1.317477
H 0.392803 -0.143896 2.011665
H 2.026513 0.272037 2.634555
H 1.621612 -1.417701 2.193391
H -3.376213 1.128056 -1.018531
H -3.338684 1.261564 0.764297
H -3.498667 -1.329924 -1.997092
H -1.960028 -1.623401 -1.110130
H -3.383568 -2.658091 -0.784111
H -5.512206 -0.357169 -0.533590
H -5.244831 -1.781784 0.530787
H -5.158330 -0.134982 1.219127
H 4.513478 -2.209581 0.100457
H 4.010672 -1.509641 1.676152
H 2.986654 -2.735565 0.874514


